USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 649 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 20 THR OG1 : rot -32:sc= -2.03! USER MOD Set 1.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 91 HIS : no HE2:sc= -2.07! C(o=-4.1!,f=-5.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.73) USER MOD Single : A 18 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.065) USER MOD Single : A 21 HIS : no HD1:sc= 0.988 K(o=0.99,f=-4.1!) USER MOD Single : A 23 ASN : amide:sc=-0.00379 X(o=-0.0038,f=-0.35) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc=-0.00864 (180deg=-0.123) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 88:sc= -0.753 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0514 USER MOD Single : A 36 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.15) USER MOD Single : A 37 MET CE :methyl -160:sc= -0.0593 (180deg=-0.435) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= -3.13! (180deg=-3.38!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot -27:sc= 0.0245 USER MOD Single : A 52 THR OG1 : rot 165:sc= 0.86 USER MOD Single : A 53 SER OG : rot 180:sc= 0.031 USER MOD Single : A 55 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 56 SER OG : rot 151:sc= 1.16 USER MOD Single : A 57 MET CE :methyl 167:sc= -0.391 (180deg=-0.826) USER MOD Single : A 65 SER OG : rot -2:sc= 0.93 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 152:sc= 1.18 (180deg=0.0111) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -12:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 183 N ASP A 13 -1.216 -13.140 -7.989 1.00 2.40 N ATOM 184 CA ASP A 13 0.069 -13.077 -7.303 1.00 23.44 C ATOM 185 C ASP A 13 0.197 -11.703 -6.655 1.00 34.23 C ATOM 186 O ASP A 13 -0.720 -10.886 -6.775 1.00 1.33 O ATOM 187 CB ASP A 13 1.233 -13.325 -8.281 1.00 23.34 C ATOM 188 CG ASP A 13 2.523 -13.730 -7.582 1.00 4.44 C ATOM 189 OD1 ASP A 13 3.248 -12.843 -7.094 1.00 71.44 O ATOM 190 OD2 ASP A 13 2.822 -14.941 -7.522 1.00 33.12 O ATOM 0 HA ASP A 13 0.116 -13.856 -6.542 1.00 23.44 H new ATOM 0 HB2 ASP A 13 0.948 -14.106 -8.986 1.00 23.34 H new ATOM 0 HB3 ASP A 13 1.410 -12.420 -8.863 1.00 23.34 H new ATOM 195 N SER A 14 1.315 -11.455 -5.978 1.00 50.40 N ATOM 196 CA SER A 14 1.560 -10.183 -5.307 1.00 55.25 C ATOM 197 C SER A 14 0.511 -9.924 -4.219 1.00 4.45 C ATOM 198 O SER A 14 -0.281 -10.805 -3.881 1.00 13.01 O ATOM 199 CB SER A 14 1.577 -9.051 -6.337 1.00 73.24 C ATOM 200 OG SER A 14 2.532 -9.311 -7.354 1.00 14.54 O ATOM 0 H SER A 14 2.074 -12.129 -5.880 1.00 50.40 H new ATOM 0 HA SER A 14 2.533 -10.225 -4.817 1.00 55.25 H new ATOM 0 HB2 SER A 14 0.587 -8.941 -6.780 1.00 73.24 H new ATOM 0 HB3 SER A 14 1.812 -8.108 -5.844 1.00 73.24 H new ATOM 0 HG SER A 14 2.526 -8.577 -8.003 1.00 14.54 H new ATOM 206 N VAL A 15 0.528 -8.730 -3.645 1.00 42.24 N ATOM 207 CA VAL A 15 -0.455 -8.369 -2.638 1.00 54.23 C ATOM 208 C VAL A 15 -1.341 -7.237 -3.144 1.00 11.22 C ATOM 209 O VAL A 15 -0.881 -6.346 -3.863 1.00 13.25 O ATOM 210 CB VAL A 15 0.201 -7.954 -1.300 1.00 22.33 C ATOM 211 CG1 VAL A 15 0.945 -9.130 -0.683 1.00 62.24 C ATOM 212 CG2 VAL A 15 1.136 -6.767 -1.488 1.00 25.14 C ATOM 0 H VAL A 15 1.208 -8.000 -3.858 1.00 42.24 H new ATOM 0 HA VAL A 15 -1.059 -9.257 -2.452 1.00 54.23 H new ATOM 0 HB VAL A 15 -0.593 -7.648 -0.618 1.00 22.33 H new ATOM 0 HG11 VAL A 15 1.400 -8.820 0.258 1.00 62.24 H new ATOM 0 HG12 VAL A 15 0.246 -9.945 -0.496 1.00 62.24 H new ATOM 0 HG13 VAL A 15 1.722 -9.468 -1.368 1.00 62.24 H new ATOM 0 HG21 VAL A 15 1.581 -6.499 -0.530 1.00 25.14 H new ATOM 0 HG22 VAL A 15 1.924 -7.033 -2.193 1.00 25.14 H new ATOM 0 HG23 VAL A 15 0.573 -5.918 -1.876 1.00 25.14 H new ATOM 222 N HIS A 16 -2.616 -7.294 -2.791 1.00 23.24 N ATOM 223 CA HIS A 16 -3.561 -6.262 -3.192 1.00 61.24 C ATOM 224 C HIS A 16 -3.774 -5.254 -2.073 1.00 21.45 C ATOM 225 O HIS A 16 -4.598 -5.461 -1.175 1.00 73.24 O ATOM 226 CB HIS A 16 -4.902 -6.873 -3.607 1.00 63.05 C ATOM 227 CG HIS A 16 -5.133 -6.854 -5.083 1.00 31.52 C ATOM 228 ND1 HIS A 16 -5.900 -7.790 -5.736 1.00 1.35 N ATOM 229 CD2 HIS A 16 -4.720 -5.983 -6.029 1.00 2.33 C ATOM 230 CE1 HIS A 16 -5.949 -7.496 -7.020 1.00 1.44 C ATOM 231 NE2 HIS A 16 -5.242 -6.398 -7.229 1.00 21.31 N ATOM 0 H HIS A 16 -3.020 -8.043 -2.228 1.00 23.24 H new ATOM 0 HA HIS A 16 -3.135 -5.745 -4.052 1.00 61.24 H new ATOM 0 HB2 HIS A 16 -4.948 -7.903 -3.253 1.00 63.05 H new ATOM 0 HB3 HIS A 16 -5.708 -6.330 -3.114 1.00 63.05 H new ATOM 0 HD2 HIS A 16 -4.093 -5.118 -5.870 1.00 2.33 H new ATOM 0 HE1 HIS A 16 -6.478 -8.058 -7.775 1.00 1.44 H new ATOM 0 HE2 HIS A 16 -5.107 -5.938 -8.129 1.00 21.31 H new ATOM 240 N LEU A 17 -3.021 -4.172 -2.128 1.00 13.11 N ATOM 241 CA LEU A 17 -3.147 -3.103 -1.154 1.00 73.22 C ATOM 242 C LEU A 17 -4.037 -2.004 -1.715 1.00 35.31 C ATOM 243 O LEU A 17 -3.765 -1.454 -2.779 1.00 45.31 O ATOM 244 CB LEU A 17 -1.768 -2.539 -0.796 1.00 55.44 C ATOM 245 CG LEU A 17 -0.799 -3.541 -0.161 1.00 3.23 C ATOM 246 CD1 LEU A 17 0.551 -2.892 0.090 1.00 32.11 C ATOM 247 CD2 LEU A 17 -1.373 -4.094 1.137 1.00 2.01 C ATOM 0 H LEU A 17 -2.311 -4.009 -2.842 1.00 13.11 H new ATOM 0 HA LEU A 17 -3.600 -3.502 -0.246 1.00 73.22 H new ATOM 0 HB2 LEU A 17 -1.311 -2.139 -1.701 1.00 55.44 H new ATOM 0 HB3 LEU A 17 -1.902 -1.703 -0.110 1.00 55.44 H new ATOM 0 HG LEU A 17 -0.660 -4.369 -0.856 1.00 3.23 H new ATOM 0 HD11 LEU A 17 1.226 -3.619 0.541 1.00 32.11 H new ATOM 0 HD12 LEU A 17 0.970 -2.546 -0.855 1.00 32.11 H new ATOM 0 HD13 LEU A 17 0.428 -2.044 0.764 1.00 32.11 H new ATOM 0 HD21 LEU A 17 -0.670 -4.804 1.573 1.00 2.01 H new ATOM 0 HD22 LEU A 17 -1.543 -3.276 1.837 1.00 2.01 H new ATOM 0 HD23 LEU A 17 -2.317 -4.598 0.932 1.00 2.01 H new ATOM 259 N HIS A 18 -5.120 -1.708 -1.016 1.00 21.33 N ATOM 260 CA HIS A 18 -6.055 -0.688 -1.472 1.00 12.33 C ATOM 261 C HIS A 18 -5.629 0.680 -0.966 1.00 12.01 C ATOM 262 O HIS A 18 -5.596 0.921 0.239 1.00 25.31 O ATOM 263 CB HIS A 18 -7.479 -0.995 -1.001 1.00 24.41 C ATOM 264 CG HIS A 18 -8.064 -2.240 -1.589 1.00 52.11 C ATOM 265 ND1 HIS A 18 -9.110 -2.228 -2.480 1.00 51.54 N ATOM 266 CD2 HIS A 18 -7.761 -3.545 -1.386 1.00 12.43 C ATOM 267 CE1 HIS A 18 -9.423 -3.468 -2.805 1.00 62.31 C ATOM 268 NE2 HIS A 18 -8.622 -4.291 -2.153 1.00 62.41 N ATOM 0 H HIS A 18 -5.374 -2.155 -0.135 1.00 21.33 H new ATOM 0 HA HIS A 18 -6.046 -0.688 -2.562 1.00 12.33 H new ATOM 0 HB2 HIS A 18 -7.479 -1.085 0.085 1.00 24.41 H new ATOM 0 HB3 HIS A 18 -8.122 -0.151 -1.251 1.00 24.41 H new ATOM 0 HD2 HIS A 18 -6.985 -3.928 -0.740 1.00 12.43 H new ATOM 0 HE1 HIS A 18 -10.204 -3.761 -3.490 1.00 62.31 H new ATOM 0 HE2 HIS A 18 -8.640 -5.309 -2.210 1.00 62.41 H new ATOM 277 N ILE A 19 -5.298 1.561 -1.891 1.00 32.34 N ATOM 278 CA ILE A 19 -4.873 2.907 -1.547 1.00 44.11 C ATOM 279 C ILE A 19 -6.086 3.794 -1.286 1.00 3.52 C ATOM 280 O ILE A 19 -6.911 4.013 -2.172 1.00 25.33 O ATOM 281 CB ILE A 19 -4.010 3.527 -2.670 1.00 53.01 C ATOM 282 CG1 ILE A 19 -2.769 2.664 -2.919 1.00 32.34 C ATOM 283 CG2 ILE A 19 -3.606 4.952 -2.313 1.00 51.33 C ATOM 284 CD1 ILE A 19 -1.892 3.172 -4.043 1.00 72.15 C ATOM 0 H ILE A 19 -5.315 1.368 -2.892 1.00 32.34 H new ATOM 0 HA ILE A 19 -4.268 2.843 -0.642 1.00 44.11 H new ATOM 0 HB ILE A 19 -4.602 3.560 -3.584 1.00 53.01 H new ATOM 0 HG12 ILE A 19 -2.180 2.617 -2.003 1.00 32.34 H new ATOM 0 HG13 ILE A 19 -3.085 1.646 -3.148 1.00 32.34 H new ATOM 0 HG21 ILE A 19 -2.999 5.370 -3.116 1.00 51.33 H new ATOM 0 HG22 ILE A 19 -4.500 5.561 -2.179 1.00 51.33 H new ATOM 0 HG23 ILE A 19 -3.029 4.946 -1.388 1.00 51.33 H new ATOM 0 HD11 ILE A 19 -1.033 2.511 -4.161 1.00 72.15 H new ATOM 0 HD12 ILE A 19 -2.465 3.193 -4.970 1.00 72.15 H new ATOM 0 HD13 ILE A 19 -1.546 4.178 -3.808 1.00 72.15 H new ATOM 296 N THR A 20 -6.200 4.281 -0.060 1.00 22.40 N ATOM 297 CA THR A 20 -7.307 5.144 0.305 1.00 74.03 C ATOM 298 C THR A 20 -6.797 6.510 0.743 1.00 52.15 C ATOM 299 O THR A 20 -5.807 6.608 1.473 1.00 13.53 O ATOM 300 CB THR A 20 -8.162 4.524 1.430 1.00 0.54 C ATOM 301 OG1 THR A 20 -7.342 4.181 2.550 1.00 60.22 O ATOM 302 CG2 THR A 20 -8.891 3.285 0.937 1.00 43.02 C ATOM 0 H THR A 20 -5.541 4.093 0.695 1.00 22.40 H new ATOM 0 HA THR A 20 -7.935 5.259 -0.578 1.00 74.03 H new ATOM 0 HB THR A 20 -8.898 5.267 1.737 1.00 0.54 H new ATOM 0 HG1 THR A 20 -6.450 3.924 2.236 1.00 60.22 H new ATOM 0 HG21 THR A 20 -9.487 2.866 1.748 1.00 43.02 H new ATOM 0 HG22 THR A 20 -9.545 3.554 0.108 1.00 43.02 H new ATOM 0 HG23 THR A 20 -8.165 2.545 0.601 1.00 43.02 H new ATOM 310 N HIS A 21 -7.465 7.561 0.290 1.00 62.04 N ATOM 311 CA HIS A 21 -7.072 8.921 0.641 1.00 43.24 C ATOM 312 C HIS A 21 -7.893 9.385 1.841 1.00 61.44 C ATOM 313 O HIS A 21 -9.108 9.228 1.853 1.00 60.13 O ATOM 314 CB HIS A 21 -7.287 9.856 -0.559 1.00 20.41 C ATOM 315 CG HIS A 21 -6.564 11.167 -0.456 1.00 14.32 C ATOM 316 ND1 HIS A 21 -7.161 12.384 -0.703 1.00 42.04 N ATOM 317 CD2 HIS A 21 -5.275 11.442 -0.158 1.00 64.12 C ATOM 318 CE1 HIS A 21 -6.270 13.346 -0.557 1.00 75.01 C ATOM 319 NE2 HIS A 21 -5.114 12.803 -0.224 1.00 13.44 N ATOM 0 H HIS A 21 -8.280 7.500 -0.320 1.00 62.04 H new ATOM 0 HA HIS A 21 -6.014 8.943 0.904 1.00 43.24 H new ATOM 0 HB2 HIS A 21 -6.962 9.345 -1.466 1.00 20.41 H new ATOM 0 HB3 HIS A 21 -8.354 10.050 -0.667 1.00 20.41 H new ATOM 0 HD2 HIS A 21 -4.510 10.721 0.088 1.00 64.12 H new ATOM 0 HE1 HIS A 21 -6.456 14.402 -0.688 1.00 75.01 H new ATOM 0 HE2 HIS A 21 -4.247 13.310 -0.046 1.00 13.44 H new ATOM 328 N ALA A 22 -7.229 9.946 2.848 1.00 61.22 N ATOM 329 CA ALA A 22 -7.903 10.345 4.087 1.00 53.12 C ATOM 330 C ALA A 22 -9.063 11.307 3.828 1.00 12.15 C ATOM 331 O ALA A 22 -10.151 11.147 4.380 1.00 62.01 O ATOM 332 CB ALA A 22 -6.902 10.962 5.056 1.00 71.42 C ATOM 0 H ALA A 22 -6.227 10.136 2.834 1.00 61.22 H new ATOM 0 HA ALA A 22 -8.326 9.445 4.534 1.00 53.12 H new ATOM 0 HB1 ALA A 22 -7.415 11.254 5.972 1.00 71.42 H new ATOM 0 HB2 ALA A 22 -6.126 10.233 5.291 1.00 71.42 H new ATOM 0 HB3 ALA A 22 -6.447 11.841 4.599 1.00 71.42 H new ATOM 338 N ASN A 23 -8.827 12.293 2.980 1.00 62.15 N ATOM 339 CA ASN A 23 -9.841 13.298 2.662 1.00 11.32 C ATOM 340 C ASN A 23 -10.918 12.745 1.726 1.00 42.23 C ATOM 341 O ASN A 23 -12.012 13.295 1.638 1.00 25.25 O ATOM 342 CB ASN A 23 -9.177 14.526 2.026 1.00 4.33 C ATOM 343 CG ASN A 23 -10.159 15.650 1.741 1.00 50.34 C ATOM 344 OD1 ASN A 23 -10.750 15.712 0.663 1.00 31.23 O ATOM 345 ND2 ASN A 23 -10.333 16.547 2.699 1.00 61.12 N ATOM 0 H ASN A 23 -7.940 12.424 2.494 1.00 62.15 H new ATOM 0 HA ASN A 23 -10.328 13.584 3.594 1.00 11.32 H new ATOM 0 HB2 ASN A 23 -8.395 14.894 2.690 1.00 4.33 H new ATOM 0 HB3 ASN A 23 -8.692 14.229 1.096 1.00 4.33 H new ATOM 0 HD21 ASN A 23 -10.976 17.326 2.558 1.00 61.12 H new ATOM 0 HD22 ASN A 23 -9.824 16.459 3.578 1.00 61.12 H new ATOM 352 N LEU A 24 -10.622 11.645 1.045 1.00 75.12 N ATOM 353 CA LEU A 24 -11.533 11.119 0.034 1.00 40.33 C ATOM 354 C LEU A 24 -11.795 9.630 0.224 1.00 22.41 C ATOM 355 O LEU A 24 -11.003 8.794 -0.212 1.00 44.00 O ATOM 356 CB LEU A 24 -10.970 11.367 -1.370 1.00 14.51 C ATOM 357 CG LEU A 24 -10.826 12.836 -1.768 1.00 71.41 C ATOM 358 CD1 LEU A 24 -10.185 12.955 -3.140 1.00 13.11 C ATOM 359 CD2 LEU A 24 -12.181 13.522 -1.757 1.00 74.13 C ATOM 0 H LEU A 24 -9.767 11.104 1.172 1.00 75.12 H new ATOM 0 HA LEU A 24 -12.481 11.645 0.148 1.00 40.33 H new ATOM 0 HB2 LEU A 24 -9.992 10.891 -1.440 1.00 14.51 H new ATOM 0 HB3 LEU A 24 -11.617 10.873 -2.095 1.00 14.51 H new ATOM 0 HG LEU A 24 -10.181 13.329 -1.041 1.00 71.41 H new ATOM 0 HD11 LEU A 24 -10.090 14.007 -3.407 1.00 13.11 H new ATOM 0 HD12 LEU A 24 -9.197 12.495 -3.121 1.00 13.11 H new ATOM 0 HD13 LEU A 24 -10.807 12.448 -3.878 1.00 13.11 H new ATOM 0 HD21 LEU A 24 -12.062 14.567 -2.042 1.00 74.13 H new ATOM 0 HD22 LEU A 24 -12.846 13.026 -2.464 1.00 74.13 H new ATOM 0 HD23 LEU A 24 -12.609 13.466 -0.756 1.00 74.13 H new ATOM 371 N LYS A 25 -12.909 9.305 0.870 1.00 71.31 N ATOM 372 CA LYS A 25 -13.317 7.914 1.064 1.00 43.31 C ATOM 373 C LYS A 25 -13.672 7.270 -0.274 1.00 74.34 C ATOM 374 O LYS A 25 -13.602 6.051 -0.430 1.00 34.53 O ATOM 375 CB LYS A 25 -14.514 7.840 2.018 1.00 63.24 C ATOM 376 CG LYS A 25 -14.975 6.422 2.316 1.00 31.11 C ATOM 377 CD LYS A 25 -16.168 6.398 3.258 1.00 34.33 C ATOM 378 CE LYS A 25 -17.405 7.024 2.629 1.00 60.02 C ATOM 379 NZ LYS A 25 -17.902 6.238 1.470 1.00 2.15 N ATOM 0 H LYS A 25 -13.551 9.989 1.271 1.00 71.31 H new ATOM 0 HA LYS A 25 -12.482 7.368 1.503 1.00 43.31 H new ATOM 0 HB2 LYS A 25 -14.251 8.331 2.955 1.00 63.24 H new ATOM 0 HB3 LYS A 25 -15.345 8.399 1.588 1.00 63.24 H new ATOM 0 HG2 LYS A 25 -15.239 5.923 1.384 1.00 31.11 H new ATOM 0 HG3 LYS A 25 -14.153 5.859 2.757 1.00 31.11 H new ATOM 0 HD2 LYS A 25 -16.387 5.368 3.540 1.00 34.33 H new ATOM 0 HD3 LYS A 25 -15.917 6.933 4.174 1.00 34.33 H new ATOM 0 HE2 LYS A 25 -18.193 7.101 3.379 1.00 60.02 H new ATOM 0 HE3 LYS A 25 -17.173 8.039 2.305 1.00 60.02 H new ATOM 0 HZ1 LYS A 25 -18.840 6.588 1.190 1.00 2.15 H new ATOM 0 HZ2 LYS A 25 -17.242 6.340 0.673 1.00 2.15 H new ATOM 0 HZ3 LYS A 25 -17.972 5.235 1.735 1.00 2.15 H new ATOM 393 N SER A 26 -14.045 8.103 -1.239 1.00 62.21 N ATOM 394 CA SER A 26 -14.386 7.636 -2.576 1.00 54.10 C ATOM 395 C SER A 26 -13.160 7.055 -3.276 1.00 73.15 C ATOM 396 O SER A 26 -13.278 6.188 -4.146 1.00 2.12 O ATOM 397 CB SER A 26 -14.961 8.793 -3.396 1.00 42.11 C ATOM 398 OG SER A 26 -16.026 9.425 -2.702 1.00 40.13 O ATOM 0 H SER A 26 -14.119 9.113 -1.118 1.00 62.21 H new ATOM 0 HA SER A 26 -15.134 6.848 -2.489 1.00 54.10 H new ATOM 0 HB2 SER A 26 -14.177 9.520 -3.607 1.00 42.11 H new ATOM 0 HB3 SER A 26 -15.317 8.421 -4.357 1.00 42.11 H new ATOM 0 HG SER A 26 -16.377 10.162 -3.244 1.00 40.13 H new ATOM 404 N PHE A 27 -11.985 7.518 -2.877 1.00 21.34 N ATOM 405 CA PHE A 27 -10.745 7.051 -3.470 1.00 11.23 C ATOM 406 C PHE A 27 -10.248 5.813 -2.731 1.00 73.21 C ATOM 407 O PHE A 27 -9.715 5.905 -1.623 1.00 34.30 O ATOM 408 CB PHE A 27 -9.687 8.158 -3.441 1.00 61.54 C ATOM 409 CG PHE A 27 -8.410 7.804 -4.155 1.00 60.35 C ATOM 410 CD1 PHE A 27 -8.327 7.894 -5.536 1.00 1.23 C ATOM 411 CD2 PHE A 27 -7.295 7.389 -3.445 1.00 60.53 C ATOM 412 CE1 PHE A 27 -7.156 7.576 -6.197 1.00 70.35 C ATOM 413 CE2 PHE A 27 -6.120 7.069 -4.101 1.00 60.21 C ATOM 414 CZ PHE A 27 -6.051 7.161 -5.478 1.00 72.53 C ATOM 0 H PHE A 27 -11.866 8.217 -2.144 1.00 21.34 H new ATOM 0 HA PHE A 27 -10.930 6.785 -4.511 1.00 11.23 H new ATOM 0 HB2 PHE A 27 -10.105 9.058 -3.891 1.00 61.54 H new ATOM 0 HB3 PHE A 27 -9.456 8.399 -2.403 1.00 61.54 H new ATOM 0 HD1 PHE A 27 -9.188 8.217 -6.102 1.00 1.23 H new ATOM 0 HD2 PHE A 27 -7.344 7.315 -2.369 1.00 60.53 H new ATOM 0 HE1 PHE A 27 -7.104 7.652 -7.273 1.00 70.35 H new ATOM 0 HE2 PHE A 27 -5.257 6.747 -3.537 1.00 60.21 H new ATOM 0 HZ PHE A 27 -5.135 6.909 -5.992 1.00 72.53 H new ATOM 424 N SER A 28 -10.462 4.656 -3.339 1.00 72.42 N ATOM 425 CA SER A 28 -10.040 3.389 -2.764 1.00 34.02 C ATOM 426 C SER A 28 -9.616 2.431 -3.870 1.00 75.03 C ATOM 427 O SER A 28 -10.226 1.380 -4.078 1.00 61.21 O ATOM 428 CB SER A 28 -11.173 2.775 -1.933 1.00 53.35 C ATOM 429 OG SER A 28 -11.578 3.657 -0.898 1.00 42.30 O ATOM 0 H SER A 28 -10.931 4.569 -4.241 1.00 72.42 H new ATOM 0 HA SER A 28 -9.189 3.568 -2.107 1.00 34.02 H new ATOM 0 HB2 SER A 28 -12.022 2.551 -2.578 1.00 53.35 H new ATOM 0 HB3 SER A 28 -10.842 1.830 -1.502 1.00 53.35 H new ATOM 0 HG SER A 28 -12.269 4.264 -1.237 1.00 42.30 H new ATOM 435 N ALA A 29 -8.571 2.807 -4.587 1.00 12.44 N ATOM 436 CA ALA A 29 -8.093 2.015 -5.708 1.00 32.52 C ATOM 437 C ALA A 29 -7.145 0.926 -5.230 1.00 43.25 C ATOM 438 O ALA A 29 -6.270 1.174 -4.401 1.00 33.03 O ATOM 439 CB ALA A 29 -7.405 2.910 -6.731 1.00 11.24 C ATOM 0 H ALA A 29 -8.036 3.658 -4.413 1.00 12.44 H new ATOM 0 HA ALA A 29 -8.950 1.537 -6.183 1.00 32.52 H new ATOM 0 HB1 ALA A 29 -7.052 2.304 -7.565 1.00 11.24 H new ATOM 0 HB2 ALA A 29 -8.112 3.655 -7.097 1.00 11.24 H new ATOM 0 HB3 ALA A 29 -6.558 3.413 -6.264 1.00 11.24 H new ATOM 445 N ASP A 30 -7.334 -0.284 -5.730 1.00 32.12 N ATOM 446 CA ASP A 30 -6.458 -1.387 -5.375 1.00 75.33 C ATOM 447 C ASP A 30 -5.190 -1.326 -6.207 1.00 73.51 C ATOM 448 O ASP A 30 -5.237 -1.170 -7.427 1.00 2.13 O ATOM 449 CB ASP A 30 -7.153 -2.746 -5.566 1.00 30.25 C ATOM 450 CG ASP A 30 -7.396 -3.098 -7.022 1.00 74.14 C ATOM 451 OD1 ASP A 30 -8.364 -2.574 -7.609 1.00 24.41 O ATOM 452 OD2 ASP A 30 -6.622 -3.911 -7.582 1.00 2.15 O ATOM 0 H ASP A 30 -8.082 -0.526 -6.380 1.00 32.12 H new ATOM 0 HA ASP A 30 -6.205 -1.290 -4.319 1.00 75.33 H new ATOM 0 HB2 ASP A 30 -6.544 -3.525 -5.108 1.00 30.25 H new ATOM 0 HB3 ASP A 30 -8.107 -2.736 -5.038 1.00 30.25 H new ATOM 457 N ALA A 31 -4.058 -1.409 -5.542 1.00 50.12 N ATOM 458 CA ALA A 31 -2.783 -1.435 -6.224 1.00 43.24 C ATOM 459 C ALA A 31 -2.127 -2.792 -6.031 1.00 61.05 C ATOM 460 O ALA A 31 -2.487 -3.540 -5.117 1.00 42.51 O ATOM 461 CB ALA A 31 -1.881 -0.322 -5.719 1.00 72.25 C ATOM 0 H ALA A 31 -3.995 -1.460 -4.525 1.00 50.12 H new ATOM 0 HA ALA A 31 -2.948 -1.272 -7.289 1.00 43.24 H new ATOM 0 HB1 ALA A 31 -0.927 -0.360 -6.245 1.00 72.25 H new ATOM 0 HB2 ALA A 31 -2.357 0.642 -5.899 1.00 72.25 H new ATOM 0 HB3 ALA A 31 -1.711 -0.448 -4.650 1.00 72.25 H new ATOM 467 N ARG A 32 -1.178 -3.110 -6.892 1.00 24.41 N ATOM 468 CA ARG A 32 -0.505 -4.396 -6.828 1.00 11.22 C ATOM 469 C ARG A 32 0.975 -4.199 -6.512 1.00 53.21 C ATOM 470 O ARG A 32 1.703 -3.524 -7.244 1.00 44.04 O ATOM 471 CB ARG A 32 -0.706 -5.165 -8.142 1.00 64.43 C ATOM 472 CG ARG A 32 -0.140 -4.469 -9.368 1.00 3.43 C ATOM 473 CD ARG A 32 -0.770 -4.990 -10.649 1.00 34.24 C ATOM 474 NE ARG A 32 -2.170 -4.579 -10.769 1.00 32.22 N ATOM 475 CZ ARG A 32 -2.833 -4.530 -11.922 1.00 43.34 C ATOM 476 NH1 ARG A 32 -2.254 -4.930 -13.048 1.00 33.14 N ATOM 477 NH2 ARG A 32 -4.086 -4.092 -11.938 1.00 54.42 N ATOM 0 H ARG A 32 -0.856 -2.498 -7.642 1.00 24.41 H new ATOM 0 HA ARG A 32 -0.940 -4.991 -6.025 1.00 11.22 H new ATOM 0 HB2 ARG A 32 -0.241 -6.147 -8.049 1.00 64.43 H new ATOM 0 HB3 ARG A 32 -1.773 -5.330 -8.293 1.00 64.43 H new ATOM 0 HG2 ARG A 32 -0.311 -3.395 -9.289 1.00 3.43 H new ATOM 0 HG3 ARG A 32 0.939 -4.618 -9.406 1.00 3.43 H new ATOM 0 HD2 ARG A 32 -0.208 -4.622 -11.507 1.00 34.24 H new ATOM 0 HD3 ARG A 32 -0.707 -6.078 -10.669 1.00 34.24 H new ATOM 0 HE ARG A 32 -2.667 -4.314 -9.918 1.00 32.22 H new ATOM 0 HH11 ARG A 32 -1.295 -5.278 -13.033 1.00 33.14 H new ATOM 0 HH12 ARG A 32 -2.768 -4.890 -13.928 1.00 33.14 H new ATOM 0 HH21 ARG A 32 -4.534 -3.796 -11.071 1.00 54.42 H new ATOM 0 HH22 ARG A 32 -4.601 -4.051 -12.818 1.00 54.42 H new ATOM 491 N PHE A 33 1.404 -4.754 -5.390 1.00 31.32 N ATOM 492 CA PHE A 33 2.790 -4.650 -4.965 1.00 65.11 C ATOM 493 C PHE A 33 3.349 -6.031 -4.673 1.00 11.15 C ATOM 494 O PHE A 33 2.603 -6.954 -4.339 1.00 25.53 O ATOM 495 CB PHE A 33 2.911 -3.775 -3.712 1.00 41.35 C ATOM 496 CG PHE A 33 2.522 -2.336 -3.926 1.00 12.24 C ATOM 497 CD1 PHE A 33 3.379 -1.463 -4.573 1.00 65.23 C ATOM 498 CD2 PHE A 33 1.304 -1.860 -3.469 1.00 54.13 C ATOM 499 CE1 PHE A 33 3.030 -0.139 -4.762 1.00 64.41 C ATOM 500 CE2 PHE A 33 0.948 -0.537 -3.655 1.00 53.44 C ATOM 501 CZ PHE A 33 1.812 0.325 -4.304 1.00 5.04 C ATOM 0 H PHE A 33 0.808 -5.284 -4.754 1.00 31.32 H new ATOM 0 HA PHE A 33 3.360 -4.188 -5.772 1.00 65.11 H new ATOM 0 HB2 PHE A 33 2.284 -4.196 -2.926 1.00 41.35 H new ATOM 0 HB3 PHE A 33 3.940 -3.813 -3.354 1.00 41.35 H new ATOM 0 HD1 PHE A 33 4.332 -1.820 -4.935 1.00 65.23 H new ATOM 0 HD2 PHE A 33 0.625 -2.530 -2.962 1.00 54.13 H new ATOM 0 HE1 PHE A 33 3.709 0.532 -5.267 1.00 64.41 H new ATOM 0 HE2 PHE A 33 -0.004 -0.177 -3.294 1.00 53.44 H new ATOM 0 HZ PHE A 33 1.536 1.358 -4.453 1.00 5.04 H new ATOM 511 N SER A 34 4.652 -6.169 -4.804 1.00 62.11 N ATOM 512 CA SER A 34 5.317 -7.416 -4.478 1.00 11.11 C ATOM 513 C SER A 34 5.890 -7.347 -3.065 1.00 54.32 C ATOM 514 O SER A 34 6.749 -6.514 -2.775 1.00 5.24 O ATOM 515 CB SER A 34 6.410 -7.714 -5.507 1.00 74.51 C ATOM 516 OG SER A 34 7.016 -6.517 -5.973 1.00 12.33 O ATOM 0 H SER A 34 5.274 -5.432 -5.135 1.00 62.11 H new ATOM 0 HA SER A 34 4.593 -8.230 -4.511 1.00 11.11 H new ATOM 0 HB2 SER A 34 7.167 -8.358 -5.061 1.00 74.51 H new ATOM 0 HB3 SER A 34 5.982 -8.260 -6.348 1.00 74.51 H new ATOM 0 HG SER A 34 7.712 -6.736 -6.628 1.00 12.33 H new ATOM 522 N PRO A 35 5.408 -8.222 -2.162 1.00 64.41 N ATOM 523 CA PRO A 35 5.815 -8.220 -0.747 1.00 41.44 C ATOM 524 C PRO A 35 7.306 -8.510 -0.546 1.00 25.22 C ATOM 525 O PRO A 35 7.814 -8.456 0.574 1.00 74.20 O ATOM 526 CB PRO A 35 4.958 -9.326 -0.119 1.00 13.24 C ATOM 527 CG PRO A 35 4.528 -10.181 -1.260 1.00 43.11 C ATOM 528 CD PRO A 35 4.413 -9.267 -2.444 1.00 61.31 C ATOM 0 HA PRO A 35 5.667 -7.239 -0.295 1.00 41.44 H new ATOM 0 HB2 PRO A 35 5.529 -9.900 0.610 1.00 13.24 H new ATOM 0 HB3 PRO A 35 4.099 -8.908 0.406 1.00 13.24 H new ATOM 0 HG2 PRO A 35 5.253 -10.973 -1.448 1.00 43.11 H new ATOM 0 HG3 PRO A 35 3.575 -10.665 -1.047 1.00 43.11 H new ATOM 0 HD2 PRO A 35 4.630 -9.788 -3.377 1.00 61.31 H new ATOM 0 HD3 PRO A 35 3.409 -8.852 -2.536 1.00 61.31 H new ATOM 536 N GLN A 36 7.999 -8.824 -1.633 1.00 70.54 N ATOM 537 CA GLN A 36 9.446 -8.987 -1.594 1.00 5.03 C ATOM 538 C GLN A 36 10.122 -7.639 -1.358 1.00 3.40 C ATOM 539 O GLN A 36 11.273 -7.577 -0.929 1.00 54.41 O ATOM 540 CB GLN A 36 9.955 -9.599 -2.902 1.00 25.23 C ATOM 541 CG GLN A 36 9.579 -11.062 -3.089 1.00 44.54 C ATOM 542 CD GLN A 36 10.226 -11.970 -2.060 1.00 13.00 C ATOM 543 OE1 GLN A 36 11.333 -12.462 -2.264 1.00 75.40 O ATOM 544 NE2 GLN A 36 9.531 -12.218 -0.962 1.00 20.54 N ATOM 0 H GLN A 36 7.582 -8.971 -2.552 1.00 70.54 H new ATOM 0 HA GLN A 36 9.693 -9.660 -0.773 1.00 5.03 H new ATOM 0 HB2 GLN A 36 9.559 -9.023 -3.739 1.00 25.23 H new ATOM 0 HB3 GLN A 36 11.041 -9.506 -2.936 1.00 25.23 H new ATOM 0 HG2 GLN A 36 8.496 -11.165 -3.028 1.00 44.54 H new ATOM 0 HG3 GLN A 36 9.874 -11.384 -4.088 1.00 44.54 H new ATOM 0 HE21 GLN A 36 8.615 -11.789 -0.831 1.00 20.54 H new ATOM 0 HE22 GLN A 36 9.911 -12.838 -0.247 1.00 20.54 H new ATOM 553 N MET A 37 9.390 -6.568 -1.636 1.00 64.35 N ATOM 554 CA MET A 37 9.902 -5.219 -1.471 1.00 62.34 C ATOM 555 C MET A 37 9.628 -4.718 -0.056 1.00 4.33 C ATOM 556 O MET A 37 8.545 -4.936 0.488 1.00 42.05 O ATOM 557 CB MET A 37 9.250 -4.292 -2.504 1.00 35.34 C ATOM 558 CG MET A 37 9.784 -2.869 -2.490 1.00 2.23 C ATOM 559 SD MET A 37 9.001 -1.832 -3.741 1.00 42.13 S ATOM 560 CE MET A 37 9.890 -0.294 -3.516 1.00 61.24 C ATOM 0 H MET A 37 8.431 -6.612 -1.980 1.00 64.35 H new ATOM 0 HA MET A 37 10.981 -5.223 -1.629 1.00 62.34 H new ATOM 0 HB2 MET A 37 9.398 -4.714 -3.498 1.00 35.34 H new ATOM 0 HB3 MET A 37 8.175 -4.266 -2.325 1.00 35.34 H new ATOM 0 HG2 MET A 37 9.621 -2.432 -1.505 1.00 2.23 H new ATOM 0 HG3 MET A 37 10.861 -2.886 -2.657 1.00 2.23 H new ATOM 0 HE1 MET A 37 9.311 0.526 -3.940 1.00 61.24 H new ATOM 0 HE2 MET A 37 10.046 -0.116 -2.452 1.00 61.24 H new ATOM 0 HE3 MET A 37 10.855 -0.355 -4.019 1.00 61.24 H new ATOM 570 N SER A 38 10.622 -4.077 0.542 1.00 41.11 N ATOM 571 CA SER A 38 10.481 -3.524 1.880 1.00 2.30 C ATOM 572 C SER A 38 9.733 -2.192 1.836 1.00 42.11 C ATOM 573 O SER A 38 9.963 -1.371 0.944 1.00 11.11 O ATOM 574 CB SER A 38 11.858 -3.337 2.521 1.00 70.22 C ATOM 575 OG SER A 38 12.592 -4.550 2.514 1.00 41.41 O ATOM 0 H SER A 38 11.538 -3.927 0.119 1.00 41.11 H new ATOM 0 HA SER A 38 9.903 -4.223 2.484 1.00 2.30 H new ATOM 0 HB2 SER A 38 12.413 -2.569 1.982 1.00 70.22 H new ATOM 0 HB3 SER A 38 11.741 -2.985 3.546 1.00 70.22 H new ATOM 0 HG SER A 38 13.469 -4.404 2.927 1.00 41.41 H new ATOM 581 N VAL A 39 8.854 -1.982 2.811 1.00 70.53 N ATOM 582 CA VAL A 39 8.036 -0.772 2.871 1.00 55.35 C ATOM 583 C VAL A 39 8.919 0.466 3.025 1.00 40.02 C ATOM 584 O VAL A 39 8.556 1.569 2.602 1.00 72.21 O ATOM 585 CB VAL A 39 7.022 -0.831 4.037 1.00 52.32 C ATOM 586 CG1 VAL A 39 6.056 0.346 3.974 1.00 53.21 C ATOM 587 CG2 VAL A 39 6.266 -2.155 4.024 1.00 63.53 C ATOM 0 H VAL A 39 8.688 -2.637 3.575 1.00 70.53 H new ATOM 0 HA VAL A 39 7.482 -0.708 1.935 1.00 55.35 H new ATOM 0 HB VAL A 39 7.575 -0.764 4.974 1.00 52.32 H new ATOM 0 HG11 VAL A 39 5.352 0.284 4.804 1.00 53.21 H new ATOM 0 HG12 VAL A 39 6.615 1.279 4.042 1.00 53.21 H new ATOM 0 HG13 VAL A 39 5.509 0.318 3.031 1.00 53.21 H new ATOM 0 HG21 VAL A 39 5.557 -2.177 4.852 1.00 63.53 H new ATOM 0 HG22 VAL A 39 5.727 -2.257 3.082 1.00 63.53 H new ATOM 0 HG23 VAL A 39 6.972 -2.978 4.129 1.00 63.53 H new ATOM 597 N GLU A 40 10.089 0.270 3.620 1.00 4.53 N ATOM 598 CA GLU A 40 11.051 1.348 3.803 1.00 32.02 C ATOM 599 C GLU A 40 11.462 1.952 2.459 1.00 24.45 C ATOM 600 O GLU A 40 11.711 3.150 2.362 1.00 5.32 O ATOM 601 CB GLU A 40 12.288 0.840 4.547 1.00 74.03 C ATOM 602 CG GLU A 40 13.277 1.941 4.904 1.00 11.04 C ATOM 603 CD GLU A 40 12.728 2.918 5.924 1.00 13.41 C ATOM 604 OE1 GLU A 40 11.783 3.671 5.592 1.00 64.44 O ATOM 605 OE2 GLU A 40 13.248 2.955 7.056 1.00 73.51 O ATOM 0 H GLU A 40 10.395 -0.632 3.986 1.00 4.53 H new ATOM 0 HA GLU A 40 10.573 2.126 4.398 1.00 32.02 H new ATOM 0 HB2 GLU A 40 11.971 0.337 5.461 1.00 74.03 H new ATOM 0 HB3 GLU A 40 12.792 0.095 3.931 1.00 74.03 H new ATOM 0 HG2 GLU A 40 14.189 1.490 5.294 1.00 11.04 H new ATOM 0 HG3 GLU A 40 13.551 2.484 3.999 1.00 11.04 H new ATOM 612 N ALA A 41 11.495 1.130 1.419 1.00 12.24 N ATOM 613 CA ALA A 41 11.948 1.575 0.107 1.00 70.51 C ATOM 614 C ALA A 41 10.780 2.061 -0.748 1.00 24.25 C ATOM 615 O ALA A 41 10.954 2.408 -1.917 1.00 4.13 O ATOM 616 CB ALA A 41 12.692 0.451 -0.599 1.00 63.14 C ATOM 0 H ALA A 41 11.213 0.150 1.458 1.00 12.24 H new ATOM 0 HA ALA A 41 12.627 2.415 0.250 1.00 70.51 H new ATOM 0 HB1 ALA A 41 13.026 0.794 -1.578 1.00 63.14 H new ATOM 0 HB2 ALA A 41 13.556 0.157 -0.004 1.00 63.14 H new ATOM 0 HB3 ALA A 41 12.028 -0.404 -0.722 1.00 63.14 H new ATOM 622 N VAL A 42 9.590 2.088 -0.163 1.00 44.32 N ATOM 623 CA VAL A 42 8.395 2.500 -0.890 1.00 61.42 C ATOM 624 C VAL A 42 8.064 3.968 -0.616 1.00 41.34 C ATOM 625 O VAL A 42 7.533 4.665 -1.482 1.00 43.51 O ATOM 626 CB VAL A 42 7.180 1.623 -0.510 1.00 24.20 C ATOM 627 CG1 VAL A 42 5.967 1.969 -1.360 1.00 23.14 C ATOM 628 CG2 VAL A 42 7.519 0.147 -0.646 1.00 43.44 C ATOM 0 H VAL A 42 9.426 1.830 0.810 1.00 44.32 H new ATOM 0 HA VAL A 42 8.605 2.374 -1.952 1.00 61.42 H new ATOM 0 HB VAL A 42 6.934 1.828 0.532 1.00 24.20 H new ATOM 0 HG11 VAL A 42 5.128 1.337 -1.071 1.00 23.14 H new ATOM 0 HG12 VAL A 42 5.702 3.015 -1.208 1.00 23.14 H new ATOM 0 HG13 VAL A 42 6.201 1.803 -2.412 1.00 23.14 H new ATOM 0 HG21 VAL A 42 6.650 -0.452 -0.374 1.00 43.44 H new ATOM 0 HG22 VAL A 42 7.800 -0.068 -1.677 1.00 43.44 H new ATOM 0 HG23 VAL A 42 8.350 -0.098 0.015 1.00 43.44 H new ATOM 638 N LYS A 43 8.408 4.431 0.584 1.00 25.43 N ATOM 639 CA LYS A 43 8.047 5.778 1.030 1.00 53.12 C ATOM 640 C LYS A 43 8.547 6.855 0.066 1.00 25.20 C ATOM 641 O LYS A 43 7.757 7.647 -0.452 1.00 33.23 O ATOM 642 CB LYS A 43 8.607 6.047 2.431 1.00 4.12 C ATOM 643 CG LYS A 43 8.174 5.030 3.476 1.00 64.42 C ATOM 644 CD LYS A 43 8.657 5.421 4.865 1.00 70.45 C ATOM 645 CE LYS A 43 8.367 4.335 5.889 1.00 0.24 C ATOM 646 NZ LYS A 43 9.153 3.105 5.619 1.00 40.10 N ATOM 0 H LYS A 43 8.938 3.892 1.268 1.00 25.43 H new ATOM 0 HA LYS A 43 6.958 5.825 1.054 1.00 53.12 H new ATOM 0 HB2 LYS A 43 9.696 6.059 2.380 1.00 4.12 H new ATOM 0 HB3 LYS A 43 8.292 7.040 2.753 1.00 4.12 H new ATOM 0 HG2 LYS A 43 7.087 4.947 3.477 1.00 64.42 H new ATOM 0 HG3 LYS A 43 8.568 4.048 3.215 1.00 64.42 H new ATOM 0 HD2 LYS A 43 9.729 5.616 4.836 1.00 70.45 H new ATOM 0 HD3 LYS A 43 8.172 6.348 5.171 1.00 70.45 H new ATOM 0 HE2 LYS A 43 8.600 4.704 6.888 1.00 0.24 H new ATOM 0 HE3 LYS A 43 7.303 4.098 5.877 1.00 0.24 H new ATOM 0 HZ1 LYS A 43 8.893 2.369 6.306 1.00 40.10 H new ATOM 0 HZ2 LYS A 43 8.950 2.768 4.656 1.00 40.10 H new ATOM 0 HZ3 LYS A 43 10.168 3.316 5.705 1.00 40.10 H new ATOM 660 N GLU A 44 9.853 6.873 -0.174 1.00 74.25 N ATOM 661 CA GLU A 44 10.464 7.881 -1.031 1.00 53.10 C ATOM 662 C GLU A 44 9.940 7.774 -2.461 1.00 43.50 C ATOM 663 O GLU A 44 9.700 8.784 -3.121 1.00 21.32 O ATOM 664 CB GLU A 44 11.985 7.730 -1.027 1.00 10.42 C ATOM 665 CG GLU A 44 12.705 8.838 -1.771 1.00 52.01 C ATOM 666 CD GLU A 44 14.197 8.604 -1.873 1.00 20.21 C ATOM 667 OE1 GLU A 44 14.893 8.719 -0.847 1.00 10.25 O ATOM 668 OE2 GLU A 44 14.683 8.322 -2.990 1.00 11.01 O ATOM 0 H GLU A 44 10.511 6.198 0.215 1.00 74.25 H new ATOM 0 HA GLU A 44 10.199 8.862 -0.637 1.00 53.10 H new ATOM 0 HB2 GLU A 44 12.337 7.707 0.004 1.00 10.42 H new ATOM 0 HB3 GLU A 44 12.248 6.772 -1.475 1.00 10.42 H new ATOM 0 HG2 GLU A 44 12.287 8.927 -2.774 1.00 52.01 H new ATOM 0 HG3 GLU A 44 12.525 9.786 -1.265 1.00 52.01 H new ATOM 675 N LYS A 45 9.750 6.544 -2.928 1.00 41.22 N ATOM 676 CA LYS A 45 9.280 6.308 -4.289 1.00 60.31 C ATOM 677 C LYS A 45 7.897 6.925 -4.502 1.00 33.13 C ATOM 678 O LYS A 45 7.646 7.556 -5.528 1.00 42.33 O ATOM 679 CB LYS A 45 9.247 4.809 -4.603 1.00 41.54 C ATOM 680 CG LYS A 45 8.931 4.503 -6.060 1.00 32.44 C ATOM 681 CD LYS A 45 9.004 3.014 -6.351 1.00 71.04 C ATOM 682 CE LYS A 45 8.820 2.734 -7.831 1.00 13.33 C ATOM 683 NZ LYS A 45 8.956 1.285 -8.147 1.00 0.40 N ATOM 0 H LYS A 45 9.914 5.696 -2.385 1.00 41.22 H new ATOM 0 HA LYS A 45 9.981 6.788 -4.972 1.00 60.31 H new ATOM 0 HB2 LYS A 45 10.212 4.371 -4.349 1.00 41.54 H new ATOM 0 HB3 LYS A 45 8.502 4.329 -3.969 1.00 41.54 H new ATOM 0 HG2 LYS A 45 7.934 4.872 -6.301 1.00 32.44 H new ATOM 0 HG3 LYS A 45 9.632 5.034 -6.704 1.00 32.44 H new ATOM 0 HD2 LYS A 45 9.967 2.623 -6.021 1.00 71.04 H new ATOM 0 HD3 LYS A 45 8.236 2.491 -5.781 1.00 71.04 H new ATOM 0 HE2 LYS A 45 7.837 3.083 -8.146 1.00 13.33 H new ATOM 0 HE3 LYS A 45 9.557 3.300 -8.401 1.00 13.33 H new ATOM 0 HZ1 LYS A 45 8.823 1.138 -9.168 1.00 0.40 H new ATOM 0 HZ2 LYS A 45 9.903 0.957 -7.870 1.00 0.40 H new ATOM 0 HZ3 LYS A 45 8.237 0.747 -7.624 1.00 0.40 H new ATOM 697 N LEU A 46 7.014 6.757 -3.523 1.00 3.54 N ATOM 698 CA LEU A 46 5.677 7.336 -3.594 1.00 72.03 C ATOM 699 C LEU A 46 5.752 8.857 -3.548 1.00 65.53 C ATOM 700 O LEU A 46 5.039 9.548 -4.280 1.00 73.10 O ATOM 701 CB LEU A 46 4.805 6.826 -2.443 1.00 30.41 C ATOM 702 CG LEU A 46 4.522 5.323 -2.449 1.00 2.33 C ATOM 703 CD1 LEU A 46 3.658 4.940 -1.256 1.00 1.13 C ATOM 704 CD2 LEU A 46 3.853 4.914 -3.752 1.00 45.54 C ATOM 0 H LEU A 46 7.200 6.226 -2.672 1.00 3.54 H new ATOM 0 HA LEU A 46 5.226 7.031 -4.538 1.00 72.03 H new ATOM 0 HB2 LEU A 46 5.290 7.083 -1.501 1.00 30.41 H new ATOM 0 HB3 LEU A 46 3.854 7.358 -2.468 1.00 30.41 H new ATOM 0 HG LEU A 46 5.470 4.791 -2.369 1.00 2.33 H new ATOM 0 HD11 LEU A 46 3.466 3.867 -1.275 1.00 1.13 H new ATOM 0 HD12 LEU A 46 4.177 5.199 -0.333 1.00 1.13 H new ATOM 0 HD13 LEU A 46 2.712 5.479 -1.304 1.00 1.13 H new ATOM 0 HD21 LEU A 46 3.658 3.842 -3.740 1.00 45.54 H new ATOM 0 HD22 LEU A 46 2.912 5.452 -3.862 1.00 45.54 H new ATOM 0 HD23 LEU A 46 4.509 5.155 -4.589 1.00 45.54 H new ATOM 716 N TRP A 47 6.635 9.364 -2.694 1.00 51.23 N ATOM 717 CA TRP A 47 6.855 10.798 -2.549 1.00 32.11 C ATOM 718 C TRP A 47 7.341 11.415 -3.863 1.00 71.44 C ATOM 719 O TRP A 47 6.829 12.441 -4.304 1.00 2.44 O ATOM 720 CB TRP A 47 7.867 11.045 -1.422 1.00 1.55 C ATOM 721 CG TRP A 47 8.443 12.430 -1.389 1.00 62.35 C ATOM 722 CD1 TRP A 47 7.758 13.610 -1.340 1.00 2.13 C ATOM 723 CD2 TRP A 47 9.834 12.771 -1.381 1.00 2.30 C ATOM 724 NE1 TRP A 47 8.638 14.664 -1.310 1.00 43.23 N ATOM 725 CE2 TRP A 47 9.920 14.177 -1.338 1.00 71.11 C ATOM 726 CE3 TRP A 47 11.016 12.029 -1.411 1.00 32.34 C ATOM 727 CZ2 TRP A 47 11.138 14.849 -1.321 1.00 74.43 C ATOM 728 CZ3 TRP A 47 12.225 12.697 -1.396 1.00 25.51 C ATOM 729 CH2 TRP A 47 12.279 14.095 -1.351 1.00 41.51 C ATOM 0 H TRP A 47 7.218 8.792 -2.083 1.00 51.23 H new ATOM 0 HA TRP A 47 5.910 11.278 -2.293 1.00 32.11 H new ATOM 0 HB2 TRP A 47 7.382 10.845 -0.466 1.00 1.55 H new ATOM 0 HB3 TRP A 47 8.683 10.329 -1.521 1.00 1.55 H new ATOM 0 HD1 TRP A 47 6.682 13.701 -1.327 1.00 2.13 H new ATOM 0 HE1 TRP A 47 8.380 15.650 -1.273 1.00 43.23 H new ATOM 0 HE3 TRP A 47 10.986 10.950 -1.445 1.00 32.34 H new ATOM 0 HZ2 TRP A 47 11.181 15.928 -1.285 1.00 74.43 H new ATOM 0 HZ3 TRP A 47 13.144 12.131 -1.419 1.00 25.51 H new ATOM 0 HH2 TRP A 47 13.240 14.588 -1.340 1.00 41.51 H new ATOM 740 N LYS A 48 8.313 10.770 -4.492 1.00 4.32 N ATOM 741 CA LYS A 48 8.889 11.275 -5.732 1.00 31.04 C ATOM 742 C LYS A 48 7.989 10.963 -6.926 1.00 2.02 C ATOM 743 O LYS A 48 8.249 11.407 -8.042 1.00 55.13 O ATOM 744 CB LYS A 48 10.280 10.676 -5.946 1.00 72.14 C ATOM 745 CG LYS A 48 11.264 11.045 -4.850 1.00 42.31 C ATOM 746 CD LYS A 48 12.592 10.325 -5.010 1.00 63.14 C ATOM 747 CE LYS A 48 13.356 10.803 -6.232 1.00 50.52 C ATOM 748 NZ LYS A 48 14.682 10.139 -6.342 1.00 64.22 N ATOM 0 H LYS A 48 8.721 9.894 -4.164 1.00 4.32 H new ATOM 0 HA LYS A 48 8.975 12.359 -5.651 1.00 31.04 H new ATOM 0 HB2 LYS A 48 10.197 9.591 -6.001 1.00 72.14 H new ATOM 0 HB3 LYS A 48 10.671 11.014 -6.906 1.00 72.14 H new ATOM 0 HG2 LYS A 48 11.432 12.122 -4.861 1.00 42.31 H new ATOM 0 HG3 LYS A 48 10.834 10.800 -3.879 1.00 42.31 H new ATOM 0 HD2 LYS A 48 13.199 10.483 -4.119 1.00 63.14 H new ATOM 0 HD3 LYS A 48 12.415 9.252 -5.090 1.00 63.14 H new ATOM 0 HE2 LYS A 48 12.771 10.601 -7.130 1.00 50.52 H new ATOM 0 HE3 LYS A 48 13.493 11.883 -6.177 1.00 50.52 H new ATOM 0 HZ1 LYS A 48 15.176 10.489 -7.187 1.00 64.22 H new ATOM 0 HZ2 LYS A 48 15.248 10.353 -5.496 1.00 64.22 H new ATOM 0 HZ3 LYS A 48 14.550 9.110 -6.419 1.00 64.22 H new ATOM 762 N LYS A 49 6.934 10.196 -6.685 1.00 62.10 N ATOM 763 CA LYS A 49 5.985 9.856 -7.736 1.00 73.24 C ATOM 764 C LYS A 49 4.857 10.879 -7.795 1.00 12.11 C ATOM 765 O LYS A 49 4.559 11.421 -8.857 1.00 51.32 O ATOM 766 CB LYS A 49 5.398 8.460 -7.508 1.00 42.31 C ATOM 767 CG LYS A 49 4.426 8.022 -8.593 1.00 33.11 C ATOM 768 CD LYS A 49 3.718 6.731 -8.222 1.00 1.11 C ATOM 769 CE LYS A 49 2.685 6.345 -9.271 1.00 10.13 C ATOM 770 NZ LYS A 49 1.864 5.182 -8.843 1.00 34.12 N ATOM 0 H LYS A 49 6.714 9.798 -5.772 1.00 62.10 H new ATOM 0 HA LYS A 49 6.523 9.864 -8.684 1.00 73.24 H new ATOM 0 HB2 LYS A 49 6.212 7.738 -7.449 1.00 42.31 H new ATOM 0 HB3 LYS A 49 4.887 8.443 -6.546 1.00 42.31 H new ATOM 0 HG2 LYS A 49 3.688 8.807 -8.760 1.00 33.11 H new ATOM 0 HG3 LYS A 49 4.964 7.886 -9.531 1.00 33.11 H new ATOM 0 HD2 LYS A 49 4.450 5.930 -8.117 1.00 1.11 H new ATOM 0 HD3 LYS A 49 3.231 6.846 -7.254 1.00 1.11 H new ATOM 0 HE2 LYS A 49 2.033 7.196 -9.468 1.00 10.13 H new ATOM 0 HE3 LYS A 49 3.190 6.107 -10.207 1.00 10.13 H new ATOM 0 HZ1 LYS A 49 1.173 4.952 -9.586 1.00 34.12 H new ATOM 0 HZ2 LYS A 49 2.482 4.362 -8.680 1.00 34.12 H new ATOM 0 HZ3 LYS A 49 1.361 5.417 -7.964 1.00 34.12 H new ATOM 784 N CYS A 50 4.250 11.152 -6.643 1.00 14.30 N ATOM 785 CA CYS A 50 3.072 12.017 -6.581 1.00 41.04 C ATOM 786 C CYS A 50 2.707 12.373 -5.137 1.00 62.31 C ATOM 787 O CYS A 50 2.067 13.396 -4.888 1.00 61.24 O ATOM 788 CB CYS A 50 1.882 11.328 -7.262 1.00 71.41 C ATOM 789 SG CYS A 50 0.402 12.353 -7.421 1.00 33.15 S ATOM 0 H CYS A 50 4.553 10.788 -5.740 1.00 14.30 H new ATOM 0 HA CYS A 50 3.311 12.943 -7.104 1.00 41.04 H new ATOM 0 HB2 CYS A 50 2.189 11.002 -8.256 1.00 71.41 H new ATOM 0 HB3 CYS A 50 1.627 10.432 -6.697 1.00 71.41 H new ATOM 0 HG CYS A 50 0.388 13.244 -6.475 1.00 33.15 H new ATOM 795 N GLY A 51 3.101 11.528 -4.188 1.00 40.41 N ATOM 796 CA GLY A 51 2.769 11.764 -2.796 1.00 31.52 C ATOM 797 C GLY A 51 3.502 12.955 -2.215 1.00 45.12 C ATOM 798 O GLY A 51 4.385 13.527 -2.856 1.00 2.41 O ATOM 0 H GLY A 51 3.645 10.683 -4.360 1.00 40.41 H new ATOM 0 HA2 GLY A 51 1.695 11.924 -2.705 1.00 31.52 H new ATOM 0 HA3 GLY A 51 3.010 10.875 -2.213 1.00 31.52 H new ATOM 802 N THR A 52 3.138 13.331 -1.002 1.00 62.54 N ATOM 803 CA THR A 52 3.741 14.475 -0.352 1.00 50.31 C ATOM 804 C THR A 52 4.966 14.066 0.459 1.00 33.05 C ATOM 805 O THR A 52 5.383 12.907 0.423 1.00 34.43 O ATOM 806 CB THR A 52 2.720 15.187 0.548 1.00 0.31 C ATOM 807 OG1 THR A 52 1.965 14.220 1.289 1.00 0.40 O ATOM 808 CG2 THR A 52 1.778 16.051 -0.278 1.00 65.34 C ATOM 0 H THR A 52 2.425 12.857 -0.448 1.00 62.54 H new ATOM 0 HA THR A 52 4.064 15.167 -1.130 1.00 50.31 H new ATOM 0 HB THR A 52 3.263 15.831 1.239 1.00 0.31 H new ATOM 0 HG1 THR A 52 1.501 14.664 2.029 1.00 0.40 H new ATOM 0 HG21 THR A 52 1.064 16.545 0.382 1.00 65.34 H new ATOM 0 HG22 THR A 52 2.353 16.803 -0.818 1.00 65.34 H new ATOM 0 HG23 THR A 52 1.241 15.425 -0.990 1.00 65.34 H new ATOM 816 N SER A 53 5.541 15.025 1.176 1.00 45.15 N ATOM 817 CA SER A 53 6.770 14.807 1.924 1.00 34.15 C ATOM 818 C SER A 53 6.613 13.668 2.933 1.00 44.42 C ATOM 819 O SER A 53 5.614 13.597 3.656 1.00 4.31 O ATOM 820 CB SER A 53 7.152 16.100 2.644 1.00 42.15 C ATOM 821 OG SER A 53 6.971 17.222 1.791 1.00 62.53 O ATOM 0 H SER A 53 5.169 15.971 1.254 1.00 45.15 H new ATOM 0 HA SER A 53 7.558 14.523 1.227 1.00 34.15 H new ATOM 0 HB2 SER A 53 6.543 16.216 3.541 1.00 42.15 H new ATOM 0 HB3 SER A 53 8.191 16.048 2.969 1.00 42.15 H new ATOM 0 HG SER A 53 7.219 18.040 2.270 1.00 62.53 H new ATOM 827 N VAL A 54 7.601 12.776 2.971 1.00 40.22 N ATOM 828 CA VAL A 54 7.589 11.663 3.911 1.00 3.25 C ATOM 829 C VAL A 54 7.775 12.182 5.332 1.00 74.04 C ATOM 830 O VAL A 54 8.900 12.319 5.818 1.00 41.15 O ATOM 831 CB VAL A 54 8.689 10.626 3.596 1.00 54.11 C ATOM 832 CG1 VAL A 54 8.538 9.398 4.482 1.00 4.25 C ATOM 833 CG2 VAL A 54 8.656 10.237 2.125 1.00 14.34 C ATOM 0 H VAL A 54 8.418 12.804 2.361 1.00 40.22 H new ATOM 0 HA VAL A 54 6.623 11.167 3.816 1.00 3.25 H new ATOM 0 HB VAL A 54 9.657 11.080 3.806 1.00 54.11 H new ATOM 0 HG11 VAL A 54 9.322 8.679 4.245 1.00 4.25 H new ATOM 0 HG12 VAL A 54 8.620 9.692 5.528 1.00 4.25 H new ATOM 0 HG13 VAL A 54 7.563 8.942 4.309 1.00 4.25 H new ATOM 0 HG21 VAL A 54 9.439 9.506 1.924 1.00 14.34 H new ATOM 0 HG22 VAL A 54 7.685 9.804 1.885 1.00 14.34 H new ATOM 0 HG23 VAL A 54 8.821 11.122 1.511 1.00 14.34 H new ATOM 843 N ASN A 55 6.658 12.505 5.961 1.00 25.25 N ATOM 844 CA ASN A 55 6.636 13.102 7.290 1.00 71.11 C ATOM 845 C ASN A 55 5.196 13.377 7.685 1.00 25.11 C ATOM 846 O ASN A 55 4.696 12.863 8.685 1.00 2.35 O ATOM 847 CB ASN A 55 7.436 14.414 7.309 1.00 71.32 C ATOM 848 CG ASN A 55 7.340 15.139 8.639 1.00 12.31 C ATOM 849 OD1 ASN A 55 8.138 14.904 9.543 1.00 61.13 O ATOM 850 ND2 ASN A 55 6.369 16.032 8.758 1.00 51.12 N ATOM 0 H ASN A 55 5.731 12.360 5.562 1.00 25.25 H new ATOM 0 HA ASN A 55 7.093 12.410 7.998 1.00 71.11 H new ATOM 0 HB2 ASN A 55 8.482 14.200 7.091 1.00 71.32 H new ATOM 0 HB3 ASN A 55 7.073 15.068 6.516 1.00 71.32 H new ATOM 0 HD21 ASN A 55 6.262 16.556 9.626 1.00 51.12 H new ATOM 0 HD22 ASN A 55 5.728 16.195 7.981 1.00 51.12 H new ATOM 857 N SER A 56 4.537 14.184 6.868 1.00 43.25 N ATOM 858 CA SER A 56 3.142 14.530 7.071 1.00 41.21 C ATOM 859 C SER A 56 2.234 13.532 6.354 1.00 60.40 C ATOM 860 O SER A 56 1.026 13.496 6.582 1.00 33.12 O ATOM 861 CB SER A 56 2.907 15.952 6.566 1.00 74.11 C ATOM 862 OG SER A 56 3.932 16.323 5.651 1.00 53.44 O ATOM 0 H SER A 56 4.956 14.617 6.045 1.00 43.25 H new ATOM 0 HA SER A 56 2.901 14.485 8.133 1.00 41.21 H new ATOM 0 HB2 SER A 56 1.934 16.017 6.079 1.00 74.11 H new ATOM 0 HB3 SER A 56 2.890 16.646 7.406 1.00 74.11 H new ATOM 0 HG SER A 56 3.577 16.972 5.008 1.00 53.44 H new ATOM 868 N MET A 57 2.836 12.730 5.482 1.00 33.35 N ATOM 869 CA MET A 57 2.127 11.653 4.804 1.00 64.32 C ATOM 870 C MET A 57 2.385 10.328 5.520 1.00 34.40 C ATOM 871 O MET A 57 3.455 9.729 5.378 1.00 33.14 O ATOM 872 CB MET A 57 2.576 11.559 3.341 1.00 54.31 C ATOM 873 CG MET A 57 1.870 10.470 2.550 1.00 52.44 C ATOM 874 SD MET A 57 2.469 10.335 0.851 1.00 42.14 S ATOM 875 CE MET A 57 4.186 9.904 1.128 1.00 61.22 C ATOM 0 H MET A 57 3.821 12.808 5.227 1.00 33.35 H new ATOM 0 HA MET A 57 1.058 11.866 4.827 1.00 64.32 H new ATOM 0 HB2 MET A 57 2.401 12.519 2.855 1.00 54.31 H new ATOM 0 HB3 MET A 57 3.650 11.378 3.312 1.00 54.31 H new ATOM 0 HG2 MET A 57 2.007 9.514 3.055 1.00 52.44 H new ATOM 0 HG3 MET A 57 0.799 10.673 2.537 1.00 52.44 H new ATOM 0 HE1 MET A 57 4.631 9.563 0.193 1.00 61.22 H new ATOM 0 HE2 MET A 57 4.727 10.779 1.489 1.00 61.22 H new ATOM 0 HE3 MET A 57 4.246 9.108 1.870 1.00 61.22 H new ATOM 885 N ALA A 58 1.417 9.885 6.308 1.00 14.24 N ATOM 886 CA ALA A 58 1.554 8.647 7.068 1.00 52.23 C ATOM 887 C ALA A 58 0.839 7.492 6.374 1.00 13.33 C ATOM 888 O ALA A 58 -0.195 7.683 5.733 1.00 14.42 O ATOM 889 CB ALA A 58 1.016 8.830 8.480 1.00 21.05 C ATOM 0 H ALA A 58 0.526 10.364 6.439 1.00 14.24 H new ATOM 0 HA ALA A 58 2.615 8.402 7.124 1.00 52.23 H new ATOM 0 HB1 ALA A 58 1.125 7.898 9.035 1.00 21.05 H new ATOM 0 HB2 ALA A 58 1.575 9.619 8.983 1.00 21.05 H new ATOM 0 HB3 ALA A 58 -0.038 9.104 8.435 1.00 21.05 H new ATOM 895 N LEU A 59 1.400 6.297 6.495 1.00 74.43 N ATOM 896 CA LEU A 59 0.808 5.109 5.901 1.00 14.44 C ATOM 897 C LEU A 59 0.235 4.201 6.981 1.00 22.21 C ATOM 898 O LEU A 59 0.960 3.417 7.596 1.00 3.32 O ATOM 899 CB LEU A 59 1.851 4.344 5.079 1.00 75.34 C ATOM 900 CG LEU A 59 2.482 5.128 3.925 1.00 64.52 C ATOM 901 CD1 LEU A 59 3.564 4.299 3.243 1.00 5.42 C ATOM 902 CD2 LEU A 59 1.420 5.550 2.917 1.00 44.13 C ATOM 0 H LEU A 59 2.268 6.125 7.002 1.00 74.43 H new ATOM 0 HA LEU A 59 0.000 5.425 5.241 1.00 14.44 H new ATOM 0 HB2 LEU A 59 2.645 4.014 5.748 1.00 75.34 H new ATOM 0 HB3 LEU A 59 1.383 3.447 4.673 1.00 75.34 H new ATOM 0 HG LEU A 59 2.943 6.027 4.335 1.00 64.52 H new ATOM 0 HD11 LEU A 59 4.001 4.873 2.426 1.00 5.42 H new ATOM 0 HD12 LEU A 59 4.340 4.049 3.966 1.00 5.42 H new ATOM 0 HD13 LEU A 59 3.126 3.382 2.849 1.00 5.42 H new ATOM 0 HD21 LEU A 59 1.889 6.106 2.105 1.00 44.13 H new ATOM 0 HD22 LEU A 59 0.929 4.664 2.514 1.00 44.13 H new ATOM 0 HD23 LEU A 59 0.681 6.182 3.410 1.00 44.13 H new ATOM 914 N GLU A 60 -1.062 4.326 7.226 1.00 23.20 N ATOM 915 CA GLU A 60 -1.728 3.513 8.231 1.00 2.13 C ATOM 916 C GLU A 60 -2.513 2.379 7.582 1.00 75.14 C ATOM 917 O GLU A 60 -3.512 2.608 6.894 1.00 60.15 O ATOM 918 CB GLU A 60 -2.659 4.375 9.086 1.00 12.04 C ATOM 919 CG GLU A 60 -1.929 5.301 10.046 1.00 33.20 C ATOM 920 CD GLU A 60 -1.171 4.549 11.125 1.00 24.04 C ATOM 921 OE1 GLU A 60 -1.403 3.330 11.286 1.00 14.31 O ATOM 922 OE2 GLU A 60 -0.358 5.176 11.836 1.00 54.13 O ATOM 0 H GLU A 60 -1.673 4.983 6.742 1.00 23.20 H new ATOM 0 HA GLU A 60 -0.962 3.078 8.873 1.00 2.13 H new ATOM 0 HB2 GLU A 60 -3.291 4.973 8.429 1.00 12.04 H new ATOM 0 HB3 GLU A 60 -3.320 3.723 9.657 1.00 12.04 H new ATOM 0 HG2 GLU A 60 -1.232 5.923 9.485 1.00 33.20 H new ATOM 0 HG3 GLU A 60 -2.649 5.972 10.514 1.00 33.20 H new ATOM 929 N LEU A 61 -2.043 1.161 7.786 1.00 70.00 N ATOM 930 CA LEU A 61 -2.706 -0.013 7.249 1.00 71.14 C ATOM 931 C LEU A 61 -3.856 -0.431 8.158 1.00 24.25 C ATOM 932 O LEU A 61 -3.643 -0.899 9.280 1.00 21.01 O ATOM 933 CB LEU A 61 -1.704 -1.158 7.099 1.00 31.13 C ATOM 934 CG LEU A 61 -2.241 -2.416 6.407 1.00 5.51 C ATOM 935 CD1 LEU A 61 -2.691 -2.091 4.994 1.00 53.24 C ATOM 936 CD2 LEU A 61 -1.183 -3.508 6.394 1.00 34.20 C ATOM 0 H LEU A 61 -1.200 0.959 8.323 1.00 70.00 H new ATOM 0 HA LEU A 61 -3.111 0.229 6.266 1.00 71.14 H new ATOM 0 HB2 LEU A 61 -0.844 -0.794 6.537 1.00 31.13 H new ATOM 0 HB3 LEU A 61 -1.344 -1.435 8.090 1.00 31.13 H new ATOM 0 HG LEU A 61 -3.102 -2.780 6.967 1.00 5.51 H new ATOM 0 HD11 LEU A 61 -3.070 -2.994 4.516 1.00 53.24 H new ATOM 0 HD12 LEU A 61 -3.480 -1.340 5.027 1.00 53.24 H new ATOM 0 HD13 LEU A 61 -1.847 -1.705 4.423 1.00 53.24 H new ATOM 0 HD21 LEU A 61 -1.581 -4.394 5.899 1.00 34.20 H new ATOM 0 HD22 LEU A 61 -0.303 -3.156 5.856 1.00 34.20 H new ATOM 0 HD23 LEU A 61 -0.906 -3.758 7.418 1.00 34.20 H new ATOM 948 N TYR A 62 -5.074 -0.244 7.675 1.00 35.41 N ATOM 949 CA TYR A 62 -6.259 -0.597 8.441 1.00 11.34 C ATOM 950 C TYR A 62 -6.664 -2.040 8.179 1.00 0.03 C ATOM 951 O TYR A 62 -6.602 -2.515 7.039 1.00 62.25 O ATOM 952 CB TYR A 62 -7.433 0.322 8.094 1.00 53.15 C ATOM 953 CG TYR A 62 -7.376 1.696 8.724 1.00 0.22 C ATOM 954 CD1 TYR A 62 -6.520 1.971 9.782 1.00 50.40 C ATOM 955 CD2 TYR A 62 -8.196 2.718 8.265 1.00 30.30 C ATOM 956 CE1 TYR A 62 -6.479 3.223 10.361 1.00 53.22 C ATOM 957 CE2 TYR A 62 -8.165 3.972 8.840 1.00 31.43 C ATOM 958 CZ TYR A 62 -7.305 4.221 9.888 1.00 4.54 C ATOM 959 OH TYR A 62 -7.282 5.469 10.467 1.00 4.51 O ATOM 0 H TYR A 62 -5.268 0.151 6.755 1.00 35.41 H new ATOM 0 HA TYR A 62 -6.010 -0.477 9.495 1.00 11.34 H new ATOM 0 HB2 TYR A 62 -7.477 0.437 7.011 1.00 53.15 H new ATOM 0 HB3 TYR A 62 -8.359 -0.164 8.401 1.00 53.15 H new ATOM 0 HD1 TYR A 62 -5.875 1.191 10.159 1.00 50.40 H new ATOM 0 HD2 TYR A 62 -8.870 2.528 7.443 1.00 30.30 H new ATOM 0 HE1 TYR A 62 -5.804 3.420 11.180 1.00 53.22 H new ATOM 0 HE2 TYR A 62 -8.811 4.754 8.471 1.00 31.43 H new ATOM 0 HH TYR A 62 -7.924 6.053 10.012 1.00 4.51 H new ATOM 969 N ASP A 63 -7.081 -2.730 9.231 1.00 51.34 N ATOM 970 CA ASP A 63 -7.626 -4.071 9.098 1.00 14.41 C ATOM 971 C ASP A 63 -9.096 -3.974 8.696 1.00 74.32 C ATOM 972 O ASP A 63 -9.996 -4.058 9.532 1.00 24.32 O ATOM 973 CB ASP A 63 -7.450 -4.860 10.402 1.00 75.31 C ATOM 974 CG ASP A 63 -8.102 -6.228 10.359 1.00 63.24 C ATOM 975 OD1 ASP A 63 -7.589 -7.121 9.652 1.00 63.31 O ATOM 976 OD2 ASP A 63 -9.119 -6.425 11.060 1.00 0.42 O ATOM 0 H ASP A 63 -7.052 -2.381 10.189 1.00 51.34 H new ATOM 0 HA ASP A 63 -7.084 -4.611 8.321 1.00 14.41 H new ATOM 0 HB2 ASP A 63 -6.386 -4.977 10.609 1.00 75.31 H new ATOM 0 HB3 ASP A 63 -7.874 -4.287 11.227 1.00 75.31 H new ATOM 981 N ASP A 64 -9.301 -3.710 7.405 1.00 64.11 N ATOM 982 CA ASP A 64 -10.626 -3.522 6.805 1.00 34.43 C ATOM 983 C ASP A 64 -11.254 -2.210 7.260 1.00 3.41 C ATOM 984 O ASP A 64 -11.446 -1.292 6.465 1.00 5.43 O ATOM 985 CB ASP A 64 -11.563 -4.691 7.109 1.00 74.11 C ATOM 986 CG ASP A 64 -12.976 -4.433 6.617 1.00 15.32 C ATOM 987 OD1 ASP A 64 -13.165 -4.232 5.398 1.00 64.21 O ATOM 988 OD2 ASP A 64 -13.900 -4.403 7.455 1.00 33.01 O ATOM 0 H ASP A 64 -8.539 -3.619 6.734 1.00 64.11 H new ATOM 0 HA ASP A 64 -10.481 -3.484 5.725 1.00 34.43 H new ATOM 0 HB2 ASP A 64 -11.176 -5.596 6.641 1.00 74.11 H new ATOM 0 HB3 ASP A 64 -11.581 -4.871 8.184 1.00 74.11 H new ATOM 993 N SER A 65 -11.545 -2.136 8.543 1.00 22.01 N ATOM 994 CA SER A 65 -12.165 -0.974 9.170 1.00 22.04 C ATOM 995 C SER A 65 -12.091 -1.130 10.682 1.00 4.11 C ATOM 996 O SER A 65 -12.623 -2.092 11.240 1.00 23.24 O ATOM 997 CB SER A 65 -13.631 -0.808 8.745 1.00 21.10 C ATOM 998 OG SER A 65 -13.745 -0.479 7.370 1.00 32.22 O ATOM 0 H SER A 65 -11.355 -2.895 9.197 1.00 22.01 H new ATOM 0 HA SER A 65 -11.624 -0.084 8.847 1.00 22.04 H new ATOM 0 HB2 SER A 65 -14.174 -1.732 8.944 1.00 21.10 H new ATOM 0 HB3 SER A 65 -14.098 -0.027 9.346 1.00 21.10 H new ATOM 0 HG SER A 65 -12.850 -0.386 6.981 1.00 32.22 H new ATOM 1004 N GLY A 66 -11.434 -0.190 11.344 1.00 71.12 N ATOM 1005 CA GLY A 66 -11.228 -0.303 12.775 1.00 74.34 C ATOM 1006 C GLY A 66 -10.068 -1.217 13.092 1.00 42.02 C ATOM 1007 O GLY A 66 -9.885 -2.237 12.426 1.00 61.43 O ATOM 0 H GLY A 66 -11.040 0.649 10.918 1.00 71.12 H new ATOM 0 HA2 GLY A 66 -11.041 0.685 13.197 1.00 74.34 H new ATOM 0 HA3 GLY A 66 -12.134 -0.685 13.246 1.00 74.34 H new ATOM 1011 N SER A 67 -9.300 -0.853 14.112 1.00 71.14 N ATOM 1012 CA SER A 67 -8.090 -1.580 14.482 1.00 3.45 C ATOM 1013 C SER A 67 -7.054 -1.533 13.358 1.00 63.12 C ATOM 1014 O SER A 67 -7.160 -2.235 12.353 1.00 63.35 O ATOM 1015 CB SER A 67 -8.423 -3.029 14.860 1.00 54.11 C ATOM 1016 OG SER A 67 -9.252 -3.064 16.010 1.00 35.33 O ATOM 0 H SER A 67 -9.497 -0.047 14.705 1.00 71.14 H new ATOM 0 HA SER A 67 -7.656 -1.091 15.355 1.00 3.45 H new ATOM 0 HB2 SER A 67 -8.925 -3.522 14.027 1.00 54.11 H new ATOM 0 HB3 SER A 67 -7.503 -3.582 15.050 1.00 54.11 H new ATOM 0 HG SER A 67 -9.457 -3.995 16.237 1.00 35.33 H new ATOM 1022 N LYS A 68 -6.049 -0.692 13.533 1.00 72.24 N ATOM 1023 CA LYS A 68 -5.016 -0.553 12.529 1.00 61.23 C ATOM 1024 C LYS A 68 -3.873 -1.512 12.830 1.00 44.43 C ATOM 1025 O LYS A 68 -3.409 -1.616 13.970 1.00 54.43 O ATOM 1026 CB LYS A 68 -4.528 0.898 12.449 1.00 74.05 C ATOM 1027 CG LYS A 68 -3.851 1.405 13.706 1.00 62.24 C ATOM 1028 CD LYS A 68 -3.563 2.892 13.609 1.00 12.51 C ATOM 1029 CE LYS A 68 -2.336 3.277 14.422 1.00 53.41 C ATOM 1030 NZ LYS A 68 -1.093 2.692 13.850 1.00 73.02 N ATOM 0 H LYS A 68 -5.929 -0.101 14.355 1.00 72.24 H new ATOM 0 HA LYS A 68 -5.429 -0.809 11.553 1.00 61.23 H new ATOM 0 HB2 LYS A 68 -3.832 0.988 11.615 1.00 74.05 H new ATOM 0 HB3 LYS A 68 -5.378 1.542 12.225 1.00 74.05 H new ATOM 0 HG2 LYS A 68 -4.487 1.210 14.569 1.00 62.24 H new ATOM 0 HG3 LYS A 68 -2.920 0.861 13.866 1.00 62.24 H new ATOM 0 HD2 LYS A 68 -3.410 3.167 12.565 1.00 12.51 H new ATOM 0 HD3 LYS A 68 -4.427 3.455 13.963 1.00 12.51 H new ATOM 0 HE2 LYS A 68 -2.246 4.363 14.454 1.00 53.41 H new ATOM 0 HE3 LYS A 68 -2.459 2.937 15.450 1.00 53.41 H new ATOM 0 HZ1 LYS A 68 -0.283 3.301 14.085 1.00 73.02 H new ATOM 0 HZ2 LYS A 68 -0.940 1.744 14.249 1.00 73.02 H new ATOM 0 HZ3 LYS A 68 -1.186 2.622 12.816 1.00 73.02 H new ATOM 1044 N VAL A 69 -3.437 -2.227 11.811 1.00 60.11 N ATOM 1045 CA VAL A 69 -2.427 -3.259 11.981 1.00 55.35 C ATOM 1046 C VAL A 69 -1.046 -2.736 11.595 1.00 43.31 C ATOM 1047 O VAL A 69 -0.079 -3.492 11.499 1.00 32.32 O ATOM 1048 CB VAL A 69 -2.777 -4.511 11.148 1.00 25.31 C ATOM 1049 CG1 VAL A 69 -4.079 -5.121 11.637 1.00 13.12 C ATOM 1050 CG2 VAL A 69 -2.867 -4.172 9.669 1.00 5.20 C ATOM 0 H VAL A 69 -3.767 -2.113 10.852 1.00 60.11 H new ATOM 0 HA VAL A 69 -2.408 -3.539 13.034 1.00 55.35 H new ATOM 0 HB VAL A 69 -1.979 -5.242 11.277 1.00 25.31 H new ATOM 0 HG11 VAL A 69 -4.314 -6.003 11.041 1.00 13.12 H new ATOM 0 HG12 VAL A 69 -3.976 -5.407 12.684 1.00 13.12 H new ATOM 0 HG13 VAL A 69 -4.883 -4.391 11.538 1.00 13.12 H new ATOM 0 HG21 VAL A 69 -3.115 -5.071 9.104 1.00 5.20 H new ATOM 0 HG22 VAL A 69 -3.642 -3.421 9.514 1.00 5.20 H new ATOM 0 HG23 VAL A 69 -1.909 -3.781 9.326 1.00 5.20 H new ATOM 1060 N ALA A 70 -0.963 -1.431 11.384 1.00 24.54 N ATOM 1061 CA ALA A 70 0.298 -0.788 11.052 1.00 75.44 C ATOM 1062 C ALA A 70 1.091 -0.468 12.313 1.00 12.04 C ATOM 1063 O ALA A 70 0.970 0.618 12.880 1.00 33.20 O ATOM 1064 CB ALA A 70 0.056 0.474 10.242 1.00 62.21 C ATOM 0 H ALA A 70 -1.758 -0.795 11.437 1.00 24.54 H new ATOM 0 HA ALA A 70 0.884 -1.480 10.447 1.00 75.44 H new ATOM 0 HB1 ALA A 70 1.011 0.942 10.003 1.00 62.21 H new ATOM 0 HB2 ALA A 70 -0.465 0.220 9.319 1.00 62.21 H new ATOM 0 HB3 ALA A 70 -0.552 1.168 10.822 1.00 62.21 H new ATOM 1070 N VAL A 71 1.873 -1.433 12.766 1.00 74.40 N ATOM 1071 CA VAL A 71 2.707 -1.249 13.948 1.00 14.11 C ATOM 1072 C VAL A 71 4.073 -0.691 13.554 1.00 11.23 C ATOM 1073 O VAL A 71 4.757 -0.070 14.366 1.00 3.32 O ATOM 1074 CB VAL A 71 2.883 -2.581 14.723 1.00 30.35 C ATOM 1075 CG1 VAL A 71 3.650 -3.601 13.895 1.00 34.02 C ATOM 1076 CG2 VAL A 71 3.578 -2.348 16.057 1.00 62.23 C ATOM 0 H VAL A 71 1.950 -2.354 12.335 1.00 74.40 H new ATOM 0 HA VAL A 71 2.205 -0.536 14.603 1.00 14.11 H new ATOM 0 HB VAL A 71 1.889 -2.982 14.920 1.00 30.35 H new ATOM 0 HG11 VAL A 71 3.758 -4.524 14.464 1.00 34.02 H new ATOM 0 HG12 VAL A 71 3.106 -3.804 12.973 1.00 34.02 H new ATOM 0 HG13 VAL A 71 4.637 -3.206 13.654 1.00 34.02 H new ATOM 0 HG21 VAL A 71 3.689 -3.298 16.580 1.00 62.23 H new ATOM 0 HG22 VAL A 71 4.562 -1.912 15.883 1.00 62.23 H new ATOM 0 HG23 VAL A 71 2.981 -1.667 16.664 1.00 62.23 H new ATOM 1086 N LEU A 72 4.433 -0.887 12.287 1.00 41.44 N ATOM 1087 CA LEU A 72 5.737 -0.483 11.764 1.00 3.22 C ATOM 1088 C LEU A 72 6.871 -1.110 12.574 1.00 41.42 C ATOM 1089 O LEU A 72 7.441 -0.487 13.475 1.00 15.32 O ATOM 1090 CB LEU A 72 5.889 1.048 11.722 1.00 5.24 C ATOM 1091 CG LEU A 72 5.105 1.777 10.621 1.00 35.52 C ATOM 1092 CD1 LEU A 72 5.391 1.157 9.262 1.00 62.53 C ATOM 1093 CD2 LEU A 72 3.610 1.782 10.912 1.00 61.24 C ATOM 0 H LEU A 72 3.829 -1.330 11.594 1.00 41.44 H new ATOM 0 HA LEU A 72 5.798 -0.850 10.739 1.00 3.22 H new ATOM 0 HB2 LEU A 72 5.579 1.450 12.687 1.00 5.24 H new ATOM 0 HB3 LEU A 72 6.946 1.284 11.603 1.00 5.24 H new ATOM 0 HG LEU A 72 5.439 2.814 10.604 1.00 35.52 H new ATOM 0 HD11 LEU A 72 4.827 1.687 8.494 1.00 62.53 H new ATOM 0 HD12 LEU A 72 6.457 1.231 9.045 1.00 62.53 H new ATOM 0 HD13 LEU A 72 5.095 0.108 9.271 1.00 62.53 H new ATOM 0 HD21 LEU A 72 3.086 2.306 10.113 1.00 61.24 H new ATOM 0 HD22 LEU A 72 3.248 0.756 10.972 1.00 61.24 H new ATOM 0 HD23 LEU A 72 3.425 2.288 11.860 1.00 61.24 H new ATOM 1105 N SER A 73 7.166 -2.361 12.264 1.00 31.44 N ATOM 1106 CA SER A 73 8.248 -3.081 12.916 1.00 71.43 C ATOM 1107 C SER A 73 9.022 -3.894 11.881 1.00 50.14 C ATOM 1108 O SER A 73 10.244 -4.021 11.956 1.00 14.02 O ATOM 1109 CB SER A 73 7.689 -3.991 14.017 1.00 3.40 C ATOM 1110 OG SER A 73 8.730 -4.614 14.749 1.00 11.55 O ATOM 0 H SER A 73 6.667 -2.903 11.559 1.00 31.44 H new ATOM 0 HA SER A 73 8.929 -2.367 13.379 1.00 71.43 H new ATOM 0 HB2 SER A 73 7.066 -3.406 14.693 1.00 3.40 H new ATOM 0 HB3 SER A 73 7.049 -4.752 13.572 1.00 3.40 H new ATOM 0 HG SER A 73 8.344 -5.186 15.444 1.00 11.55 H new ATOM 1116 N ASP A 74 8.301 -4.426 10.906 1.00 12.31 N ATOM 1117 CA ASP A 74 8.915 -5.174 9.814 1.00 72.21 C ATOM 1118 C ASP A 74 8.938 -4.318 8.556 1.00 54.15 C ATOM 1119 O ASP A 74 8.976 -4.824 7.436 1.00 1.41 O ATOM 1120 CB ASP A 74 8.155 -6.480 9.566 1.00 5.20 C ATOM 1121 CG ASP A 74 8.256 -7.437 10.740 1.00 53.14 C ATOM 1122 OD1 ASP A 74 7.462 -7.304 11.696 1.00 14.34 O ATOM 1123 OD2 ASP A 74 9.134 -8.323 10.718 1.00 21.13 O ATOM 0 H ASP A 74 7.285 -4.354 10.847 1.00 12.31 H new ATOM 0 HA ASP A 74 9.940 -5.426 10.087 1.00 72.21 H new ATOM 0 HB2 ASP A 74 7.106 -6.256 9.372 1.00 5.20 H new ATOM 0 HB3 ASP A 74 8.549 -6.963 8.672 1.00 5.20 H new ATOM 1128 N ASP A 75 8.948 -3.008 8.772 1.00 22.02 N ATOM 1129 CA ASP A 75 8.929 -2.026 7.691 1.00 52.32 C ATOM 1130 C ASP A 75 10.137 -2.185 6.773 1.00 71.43 C ATOM 1131 O ASP A 75 10.016 -2.122 5.547 1.00 72.00 O ATOM 1132 CB ASP A 75 8.899 -0.614 8.287 1.00 55.05 C ATOM 1133 CG ASP A 75 9.146 0.472 7.260 1.00 2.15 C ATOM 1134 OD1 ASP A 75 8.211 0.817 6.513 1.00 42.02 O ATOM 1135 OD2 ASP A 75 10.275 1.000 7.208 1.00 45.52 O ATOM 0 H ASP A 75 8.970 -2.594 9.704 1.00 22.02 H new ATOM 0 HA ASP A 75 8.034 -2.191 7.090 1.00 52.32 H new ATOM 0 HB2 ASP A 75 7.931 -0.446 8.758 1.00 55.05 H new ATOM 0 HB3 ASP A 75 9.652 -0.542 9.071 1.00 55.05 H new ATOM 1140 N SER A 76 11.299 -2.404 7.368 1.00 73.33 N ATOM 1141 CA SER A 76 12.524 -2.578 6.603 1.00 74.12 C ATOM 1142 C SER A 76 12.839 -4.059 6.381 1.00 44.34 C ATOM 1143 O SER A 76 13.963 -4.418 6.031 1.00 13.14 O ATOM 1144 CB SER A 76 13.682 -1.890 7.323 1.00 13.43 C ATOM 1145 OG SER A 76 13.443 -0.496 7.463 1.00 43.21 O ATOM 0 H SER A 76 11.420 -2.466 8.379 1.00 73.33 H new ATOM 0 HA SER A 76 12.384 -2.121 5.623 1.00 74.12 H new ATOM 0 HB2 SER A 76 13.820 -2.339 8.307 1.00 13.43 H new ATOM 0 HB3 SER A 76 14.606 -2.049 6.767 1.00 13.43 H new ATOM 0 HG SER A 76 14.198 -0.080 7.928 1.00 43.21 H new ATOM 1151 N ARG A 77 11.842 -4.911 6.570 1.00 53.03 N ATOM 1152 CA ARG A 77 12.010 -6.345 6.375 1.00 32.15 C ATOM 1153 C ARG A 77 11.236 -6.801 5.138 1.00 41.14 C ATOM 1154 O ARG A 77 10.341 -6.095 4.669 1.00 12.12 O ATOM 1155 CB ARG A 77 11.517 -7.113 7.606 1.00 11.14 C ATOM 1156 CG ARG A 77 12.300 -6.844 8.888 1.00 41.02 C ATOM 1157 CD ARG A 77 13.712 -7.416 8.829 1.00 23.41 C ATOM 1158 NE ARG A 77 14.606 -6.608 8.006 1.00 73.13 N ATOM 1159 CZ ARG A 77 15.534 -7.104 7.194 1.00 13.54 C ATOM 1160 NH1 ARG A 77 15.682 -8.415 7.052 1.00 75.22 N ATOM 1161 NH2 ARG A 77 16.315 -6.278 6.514 1.00 3.25 N ATOM 0 H ARG A 77 10.904 -4.633 6.859 1.00 53.03 H new ATOM 0 HA ARG A 77 13.070 -6.553 6.231 1.00 32.15 H new ATOM 0 HB2 ARG A 77 10.470 -6.862 7.778 1.00 11.14 H new ATOM 0 HB3 ARG A 77 11.557 -8.181 7.390 1.00 11.14 H new ATOM 0 HG2 ARG A 77 12.352 -5.769 9.062 1.00 41.02 H new ATOM 0 HG3 ARG A 77 11.769 -7.278 9.735 1.00 41.02 H new ATOM 0 HD2 ARG A 77 14.116 -7.485 9.839 1.00 23.41 H new ATOM 0 HD3 ARG A 77 13.674 -8.430 8.431 1.00 23.41 H new ATOM 0 HE ARG A 77 14.512 -5.594 8.057 1.00 73.13 H new ATOM 0 HH11 ARG A 77 15.080 -9.055 7.569 1.00 75.22 H new ATOM 0 HH12 ARG A 77 16.398 -8.782 6.426 1.00 75.22 H new ATOM 0 HH21 ARG A 77 16.202 -5.269 6.616 1.00 3.25 H new ATOM 0 HH22 ARG A 77 17.030 -6.651 5.889 1.00 3.25 H new ATOM 1175 N PRO A 78 11.583 -7.968 4.570 1.00 15.14 N ATOM 1176 CA PRO A 78 10.819 -8.562 3.474 1.00 74.13 C ATOM 1177 C PRO A 78 9.453 -9.042 3.949 1.00 32.41 C ATOM 1178 O PRO A 78 9.349 -10.048 4.653 1.00 73.33 O ATOM 1179 CB PRO A 78 11.676 -9.752 3.014 1.00 52.43 C ATOM 1180 CG PRO A 78 13.006 -9.563 3.667 1.00 31.43 C ATOM 1181 CD PRO A 78 12.748 -8.790 4.928 1.00 41.03 C ATOM 0 HA PRO A 78 10.626 -7.846 2.675 1.00 74.13 H new ATOM 0 HB2 PRO A 78 11.224 -10.699 3.311 1.00 52.43 H new ATOM 0 HB3 PRO A 78 11.771 -9.771 1.928 1.00 52.43 H new ATOM 0 HG2 PRO A 78 13.471 -10.524 3.888 1.00 31.43 H new ATOM 0 HG3 PRO A 78 13.688 -9.022 3.011 1.00 31.43 H new ATOM 0 HD2 PRO A 78 12.536 -9.448 5.770 1.00 41.03 H new ATOM 0 HD3 PRO A 78 13.604 -8.178 5.210 1.00 41.03 H new ATOM 1189 N LEU A 79 8.410 -8.314 3.568 1.00 73.04 N ATOM 1190 CA LEU A 79 7.051 -8.618 4.007 1.00 62.34 C ATOM 1191 C LEU A 79 6.631 -10.008 3.521 1.00 2.45 C ATOM 1192 O LEU A 79 5.889 -10.720 4.200 1.00 4.32 O ATOM 1193 CB LEU A 79 6.089 -7.534 3.485 1.00 43.43 C ATOM 1194 CG LEU A 79 4.759 -7.371 4.242 1.00 64.15 C ATOM 1195 CD1 LEU A 79 3.787 -8.499 3.928 1.00 24.15 C ATOM 1196 CD2 LEU A 79 5.010 -7.290 5.742 1.00 5.02 C ATOM 0 H LEU A 79 8.479 -7.504 2.952 1.00 73.04 H new ATOM 0 HA LEU A 79 7.015 -8.623 5.096 1.00 62.34 H new ATOM 0 HB2 LEU A 79 6.611 -6.577 3.504 1.00 43.43 H new ATOM 0 HB3 LEU A 79 5.863 -7.753 2.442 1.00 43.43 H new ATOM 0 HG LEU A 79 4.302 -6.440 3.906 1.00 64.15 H new ATOM 0 HD11 LEU A 79 2.861 -8.346 4.482 1.00 24.15 H new ATOM 0 HD12 LEU A 79 3.573 -8.508 2.859 1.00 24.15 H new ATOM 0 HD13 LEU A 79 4.230 -9.452 4.217 1.00 24.15 H new ATOM 0 HD21 LEU A 79 4.060 -7.175 6.264 1.00 5.02 H new ATOM 0 HD22 LEU A 79 5.501 -8.203 6.079 1.00 5.02 H new ATOM 0 HD23 LEU A 79 5.649 -6.434 5.958 1.00 5.02 H new ATOM 1208 N GLY A 80 7.138 -10.392 2.353 1.00 2.44 N ATOM 1209 CA GLY A 80 6.833 -11.693 1.780 1.00 54.14 C ATOM 1210 C GLY A 80 7.380 -12.844 2.605 1.00 75.21 C ATOM 1211 O GLY A 80 6.991 -13.994 2.404 1.00 61.52 O ATOM 0 H GLY A 80 7.762 -9.818 1.787 1.00 2.44 H new ATOM 0 HA2 GLY A 80 5.752 -11.800 1.688 1.00 54.14 H new ATOM 0 HA3 GLY A 80 7.245 -11.746 0.772 1.00 54.14 H new ATOM 1215 N PHE A 81 8.291 -12.534 3.522 1.00 53.12 N ATOM 1216 CA PHE A 81 8.828 -13.533 4.435 1.00 22.45 C ATOM 1217 C PHE A 81 7.835 -13.794 5.559 1.00 51.32 C ATOM 1218 O PHE A 81 7.734 -14.909 6.071 1.00 34.33 O ATOM 1219 CB PHE A 81 10.174 -13.071 5.008 1.00 22.03 C ATOM 1220 CG PHE A 81 10.700 -13.954 6.106 1.00 24.43 C ATOM 1221 CD1 PHE A 81 11.182 -15.220 5.822 1.00 71.25 C ATOM 1222 CD2 PHE A 81 10.707 -13.516 7.420 1.00 72.43 C ATOM 1223 CE1 PHE A 81 11.662 -16.034 6.828 1.00 65.12 C ATOM 1224 CE2 PHE A 81 11.186 -14.326 8.431 1.00 62.32 C ATOM 1225 CZ PHE A 81 11.664 -15.586 8.134 1.00 71.32 C ATOM 0 H PHE A 81 8.672 -11.597 3.651 1.00 53.12 H new ATOM 0 HA PHE A 81 8.991 -14.459 3.884 1.00 22.45 H new ATOM 0 HB2 PHE A 81 10.907 -13.032 4.203 1.00 22.03 H new ATOM 0 HB3 PHE A 81 10.067 -12.056 5.390 1.00 22.03 H new ATOM 0 HD1 PHE A 81 11.183 -15.575 4.802 1.00 71.25 H new ATOM 0 HD2 PHE A 81 10.334 -12.530 7.657 1.00 72.43 H new ATOM 0 HE1 PHE A 81 12.035 -17.020 6.594 1.00 65.12 H new ATOM 0 HE2 PHE A 81 11.186 -13.974 9.452 1.00 62.32 H new ATOM 0 HZ PHE A 81 12.039 -16.221 8.923 1.00 71.32 H new ATOM 1235 N PHE A 82 7.089 -12.762 5.918 1.00 21.43 N ATOM 1236 CA PHE A 82 6.127 -12.858 7.000 1.00 42.01 C ATOM 1237 C PHE A 82 4.870 -13.573 6.516 1.00 5.21 C ATOM 1238 O PHE A 82 4.648 -14.739 6.841 1.00 73.13 O ATOM 1239 CB PHE A 82 5.784 -11.462 7.533 1.00 22.30 C ATOM 1240 CG PHE A 82 5.096 -11.473 8.869 1.00 74.42 C ATOM 1241 CD1 PHE A 82 5.836 -11.518 10.039 1.00 62.35 C ATOM 1242 CD2 PHE A 82 3.712 -11.432 8.958 1.00 54.21 C ATOM 1243 CE1 PHE A 82 5.213 -11.524 11.272 1.00 35.34 C ATOM 1244 CE2 PHE A 82 3.083 -11.439 10.189 1.00 64.41 C ATOM 1245 CZ PHE A 82 3.834 -11.485 11.347 1.00 62.11 C ATOM 0 H PHE A 82 7.133 -11.845 5.473 1.00 21.43 H new ATOM 0 HA PHE A 82 6.565 -13.436 7.814 1.00 42.01 H new ATOM 0 HB2 PHE A 82 6.701 -10.879 7.612 1.00 22.30 H new ATOM 0 HB3 PHE A 82 5.145 -10.955 6.810 1.00 22.30 H new ATOM 0 HD1 PHE A 82 6.914 -11.549 9.987 1.00 62.35 H new ATOM 0 HD2 PHE A 82 3.120 -11.394 8.056 1.00 54.21 H new ATOM 0 HE1 PHE A 82 5.803 -11.559 12.176 1.00 35.34 H new ATOM 0 HE2 PHE A 82 2.005 -11.409 10.245 1.00 64.41 H new ATOM 0 HZ PHE A 82 3.344 -11.490 12.310 1.00 62.11 H new ATOM 1255 N SER A 83 4.060 -12.875 5.726 1.00 52.12 N ATOM 1256 CA SER A 83 2.822 -13.440 5.191 1.00 22.41 C ATOM 1257 C SER A 83 2.317 -12.626 4.003 1.00 73.21 C ATOM 1258 O SER A 83 2.231 -11.402 4.074 1.00 54.04 O ATOM 1259 CB SER A 83 1.730 -13.483 6.270 1.00 73.13 C ATOM 1260 OG SER A 83 2.098 -14.327 7.347 1.00 10.52 O ATOM 0 H SER A 83 4.239 -11.912 5.440 1.00 52.12 H new ATOM 0 HA SER A 83 3.044 -14.455 4.861 1.00 22.41 H new ATOM 0 HB2 SER A 83 1.545 -12.475 6.643 1.00 73.13 H new ATOM 0 HB3 SER A 83 0.797 -13.837 5.831 1.00 73.13 H new ATOM 0 HG SER A 83 2.882 -14.857 7.094 1.00 10.52 H new ATOM 1266 N PRO A 84 2.003 -13.292 2.883 1.00 60.24 N ATOM 1267 CA PRO A 84 1.342 -12.648 1.755 1.00 23.44 C ATOM 1268 C PRO A 84 -0.174 -12.596 1.951 1.00 13.03 C ATOM 1269 O PRO A 84 -0.811 -13.621 2.215 1.00 70.20 O ATOM 1270 CB PRO A 84 1.712 -13.550 0.579 1.00 43.12 C ATOM 1271 CG PRO A 84 1.904 -14.909 1.172 1.00 35.13 C ATOM 1272 CD PRO A 84 2.288 -14.716 2.620 1.00 64.34 C ATOM 0 HA PRO A 84 1.649 -11.611 1.618 1.00 23.44 H new ATOM 0 HB2 PRO A 84 0.925 -13.557 -0.175 1.00 43.12 H new ATOM 0 HB3 PRO A 84 2.621 -13.203 0.087 1.00 43.12 H new ATOM 0 HG2 PRO A 84 0.989 -15.496 1.092 1.00 35.13 H new ATOM 0 HG3 PRO A 84 2.681 -15.455 0.638 1.00 35.13 H new ATOM 0 HD2 PRO A 84 1.709 -15.366 3.276 1.00 64.34 H new ATOM 0 HD3 PRO A 84 3.339 -14.949 2.788 1.00 64.34 H new ATOM 1280 N PHE A 85 -0.751 -11.407 1.834 1.00 31.13 N ATOM 1281 CA PHE A 85 -2.178 -11.231 2.081 1.00 4.41 C ATOM 1282 C PHE A 85 -2.774 -10.153 1.183 1.00 11.40 C ATOM 1283 O PHE A 85 -2.052 -9.333 0.617 1.00 65.12 O ATOM 1284 CB PHE A 85 -2.421 -10.884 3.556 1.00 71.41 C ATOM 1285 CG PHE A 85 -1.572 -9.754 4.076 1.00 13.40 C ATOM 1286 CD1 PHE A 85 -1.837 -8.440 3.722 1.00 15.25 C ATOM 1287 CD2 PHE A 85 -0.512 -10.011 4.930 1.00 14.52 C ATOM 1288 CE1 PHE A 85 -1.063 -7.407 4.207 1.00 55.24 C ATOM 1289 CE2 PHE A 85 0.268 -8.979 5.419 1.00 53.32 C ATOM 1290 CZ PHE A 85 -0.008 -7.675 5.056 1.00 13.23 C ATOM 0 H PHE A 85 -0.257 -10.554 1.571 1.00 31.13 H new ATOM 0 HA PHE A 85 -2.675 -12.172 1.846 1.00 4.41 H new ATOM 0 HB2 PHE A 85 -3.471 -10.624 3.687 1.00 71.41 H new ATOM 0 HB3 PHE A 85 -2.234 -11.771 4.161 1.00 71.41 H new ATOM 0 HD1 PHE A 85 -2.660 -8.223 3.058 1.00 15.25 H new ATOM 0 HD2 PHE A 85 -0.292 -11.029 5.217 1.00 14.52 H new ATOM 0 HE1 PHE A 85 -1.282 -6.388 3.923 1.00 55.24 H new ATOM 0 HE2 PHE A 85 1.092 -9.192 6.084 1.00 53.32 H new ATOM 0 HZ PHE A 85 0.600 -6.867 5.435 1.00 13.23 H new ATOM 1300 N ASP A 86 -4.094 -10.165 1.057 1.00 34.31 N ATOM 1301 CA ASP A 86 -4.805 -9.140 0.305 1.00 2.01 C ATOM 1302 C ASP A 86 -6.104 -8.794 1.011 1.00 45.32 C ATOM 1303 O ASP A 86 -6.718 -9.646 1.653 1.00 2.23 O ATOM 1304 CB ASP A 86 -5.086 -9.589 -1.138 1.00 60.02 C ATOM 1305 CG ASP A 86 -6.132 -10.686 -1.246 1.00 11.25 C ATOM 1306 OD1 ASP A 86 -5.773 -11.871 -1.084 1.00 65.32 O ATOM 1307 OD2 ASP A 86 -7.312 -10.372 -1.522 1.00 42.24 O ATOM 0 H ASP A 86 -4.697 -10.877 1.468 1.00 34.31 H new ATOM 0 HA ASP A 86 -4.171 -8.255 0.256 1.00 2.01 H new ATOM 0 HB2 ASP A 86 -5.415 -8.728 -1.719 1.00 60.02 H new ATOM 0 HB3 ASP A 86 -4.157 -9.940 -1.587 1.00 60.02 H new ATOM 1312 N GLY A 87 -6.508 -7.537 0.916 1.00 5.30 N ATOM 1313 CA GLY A 87 -7.739 -7.112 1.551 1.00 22.33 C ATOM 1314 C GLY A 87 -7.535 -5.912 2.448 1.00 54.00 C ATOM 1315 O GLY A 87 -8.431 -5.086 2.610 1.00 72.23 O ATOM 0 H GLY A 87 -6.008 -6.805 0.412 1.00 5.30 H new ATOM 0 HA2 GLY A 87 -8.476 -6.870 0.785 1.00 22.33 H new ATOM 0 HA3 GLY A 87 -8.147 -7.936 2.137 1.00 22.33 H new ATOM 1319 N PHE A 88 -6.351 -5.820 3.039 1.00 35.05 N ATOM 1320 CA PHE A 88 -6.010 -4.694 3.895 1.00 12.32 C ATOM 1321 C PHE A 88 -5.934 -3.412 3.072 1.00 0.32 C ATOM 1322 O PHE A 88 -5.554 -3.434 1.895 1.00 24.33 O ATOM 1323 CB PHE A 88 -4.679 -4.946 4.612 1.00 42.41 C ATOM 1324 CG PHE A 88 -4.732 -6.053 5.630 1.00 52.35 C ATOM 1325 CD1 PHE A 88 -4.650 -7.381 5.242 1.00 41.22 C ATOM 1326 CD2 PHE A 88 -4.853 -5.763 6.980 1.00 11.24 C ATOM 1327 CE1 PHE A 88 -4.691 -8.397 6.178 1.00 61.12 C ATOM 1328 CE2 PHE A 88 -4.892 -6.772 7.920 1.00 41.53 C ATOM 1329 CZ PHE A 88 -4.810 -8.093 7.519 1.00 21.21 C ATOM 0 H PHE A 88 -5.610 -6.514 2.940 1.00 35.05 H new ATOM 0 HA PHE A 88 -6.790 -4.582 4.648 1.00 12.32 H new ATOM 0 HB2 PHE A 88 -3.918 -5.185 3.869 1.00 42.41 H new ATOM 0 HB3 PHE A 88 -4.365 -4.027 5.106 1.00 42.41 H new ATOM 0 HD1 PHE A 88 -4.553 -7.625 4.194 1.00 41.22 H new ATOM 0 HD2 PHE A 88 -4.918 -4.734 7.300 1.00 11.24 H new ATOM 0 HE1 PHE A 88 -4.630 -9.427 5.861 1.00 61.12 H new ATOM 0 HE2 PHE A 88 -4.987 -6.530 8.968 1.00 41.53 H new ATOM 0 HZ PHE A 88 -4.839 -8.885 8.253 1.00 21.21 H new ATOM 1339 N ARG A 89 -6.304 -2.299 3.683 1.00 5.03 N ATOM 1340 CA ARG A 89 -6.341 -1.027 2.977 1.00 4.44 C ATOM 1341 C ARG A 89 -5.399 -0.016 3.617 1.00 74.23 C ATOM 1342 O ARG A 89 -5.447 0.221 4.827 1.00 45.44 O ATOM 1343 CB ARG A 89 -7.768 -0.467 2.936 1.00 53.02 C ATOM 1344 CG ARG A 89 -8.738 -1.328 2.135 1.00 63.14 C ATOM 1345 CD ARG A 89 -10.079 -0.634 1.926 1.00 40.42 C ATOM 1346 NE ARG A 89 -10.832 -0.498 3.168 1.00 53.22 N ATOM 1347 CZ ARG A 89 -11.589 0.556 3.473 1.00 64.43 C ATOM 1348 NH1 ARG A 89 -11.719 1.560 2.610 1.00 11.31 N ATOM 1349 NH2 ARG A 89 -12.230 0.589 4.632 1.00 2.32 N ATOM 0 H ARG A 89 -6.582 -2.249 4.663 1.00 5.03 H new ATOM 0 HA ARG A 89 -6.008 -1.207 1.955 1.00 4.44 H new ATOM 0 HB2 ARG A 89 -8.140 -0.368 3.956 1.00 53.02 H new ATOM 0 HB3 ARG A 89 -7.744 0.535 2.507 1.00 53.02 H new ATOM 0 HG2 ARG A 89 -8.298 -1.565 1.166 1.00 63.14 H new ATOM 0 HG3 ARG A 89 -8.896 -2.274 2.653 1.00 63.14 H new ATOM 0 HD2 ARG A 89 -9.911 0.353 1.496 1.00 40.42 H new ATOM 0 HD3 ARG A 89 -10.670 -1.200 1.206 1.00 40.42 H new ATOM 0 HE ARG A 89 -10.776 -1.258 3.846 1.00 53.22 H new ATOM 0 HH11 ARG A 89 -11.238 1.525 1.711 1.00 11.31 H new ATOM 0 HH12 ARG A 89 -12.299 2.365 2.847 1.00 11.31 H new ATOM 0 HH21 ARG A 89 -12.143 -0.189 5.285 1.00 2.32 H new ATOM 0 HH22 ARG A 89 -12.811 1.393 4.871 1.00 2.32 H new ATOM 1363 N LEU A 90 -4.541 0.565 2.793 1.00 24.55 N ATOM 1364 CA LEU A 90 -3.631 1.607 3.237 1.00 23.14 C ATOM 1365 C LEU A 90 -4.350 2.945 3.262 1.00 1.42 C ATOM 1366 O LEU A 90 -4.681 3.503 2.213 1.00 55.33 O ATOM 1367 CB LEU A 90 -2.415 1.700 2.308 1.00 63.54 C ATOM 1368 CG LEU A 90 -1.405 0.558 2.424 1.00 41.34 C ATOM 1369 CD1 LEU A 90 -0.382 0.651 1.304 1.00 74.52 C ATOM 1370 CD2 LEU A 90 -0.712 0.604 3.779 1.00 63.31 C ATOM 0 H LEU A 90 -4.456 0.329 1.804 1.00 24.55 H new ATOM 0 HA LEU A 90 -3.287 1.356 4.240 1.00 23.14 H new ATOM 0 HB2 LEU A 90 -2.770 1.744 1.278 1.00 63.54 H new ATOM 0 HB3 LEU A 90 -1.899 2.639 2.508 1.00 63.54 H new ATOM 0 HG LEU A 90 -1.934 -0.391 2.337 1.00 41.34 H new ATOM 0 HD11 LEU A 90 0.333 -0.167 1.395 1.00 74.52 H new ATOM 0 HD12 LEU A 90 -0.889 0.584 0.342 1.00 74.52 H new ATOM 0 HD13 LEU A 90 0.145 1.603 1.371 1.00 74.52 H new ATOM 0 HD21 LEU A 90 0.005 -0.214 3.849 1.00 63.31 H new ATOM 0 HD22 LEU A 90 -0.190 1.554 3.888 1.00 63.31 H new ATOM 0 HD23 LEU A 90 -1.454 0.505 4.571 1.00 63.31 H new ATOM 1382 N HIS A 91 -4.615 3.448 4.456 1.00 45.02 N ATOM 1383 CA HIS A 91 -5.261 4.737 4.594 1.00 44.21 C ATOM 1384 C HIS A 91 -4.195 5.810 4.709 1.00 45.24 C ATOM 1385 O HIS A 91 -3.641 6.036 5.783 1.00 53.24 O ATOM 1386 CB HIS A 91 -6.191 4.755 5.813 1.00 0.40 C ATOM 1387 CG HIS A 91 -7.194 5.874 5.796 1.00 32.21 C ATOM 1388 ND1 HIS A 91 -7.517 6.621 6.908 1.00 23.33 N ATOM 1389 CD2 HIS A 91 -7.976 6.344 4.794 1.00 54.42 C ATOM 1390 CE1 HIS A 91 -8.452 7.495 6.592 1.00 22.41 C ATOM 1391 NE2 HIS A 91 -8.749 7.350 5.316 1.00 71.20 N ATOM 0 H HIS A 91 -4.393 2.985 5.337 1.00 45.02 H new ATOM 0 HA HIS A 91 -5.876 4.931 3.715 1.00 44.21 H new ATOM 0 HB2 HIS A 91 -6.722 3.805 5.867 1.00 0.40 H new ATOM 0 HB3 HIS A 91 -5.588 4.835 6.717 1.00 0.40 H new ATOM 0 HD1 HIS A 91 -7.098 6.514 7.832 1.00 23.33 H new ATOM 0 HD2 HIS A 91 -7.988 5.992 3.773 1.00 54.42 H new ATOM 0 HE1 HIS A 91 -8.900 8.210 7.266 1.00 22.41 H new ATOM 1400 N ILE A 92 -3.883 6.436 3.587 1.00 1.11 N ATOM 1401 CA ILE A 92 -2.844 7.445 3.547 1.00 74.53 C ATOM 1402 C ILE A 92 -3.282 8.683 4.310 1.00 21.13 C ATOM 1403 O ILE A 92 -4.216 9.379 3.909 1.00 63.50 O ATOM 1404 CB ILE A 92 -2.467 7.826 2.098 1.00 24.44 C ATOM 1405 CG1 ILE A 92 -1.966 6.592 1.340 1.00 64.11 C ATOM 1406 CG2 ILE A 92 -1.408 8.923 2.093 1.00 72.40 C ATOM 1407 CD1 ILE A 92 -1.542 6.886 -0.085 1.00 63.13 C ATOM 0 H ILE A 92 -4.337 6.261 2.691 1.00 1.11 H new ATOM 0 HA ILE A 92 -1.959 7.020 4.021 1.00 74.53 H new ATOM 0 HB ILE A 92 -3.356 8.206 1.595 1.00 24.44 H new ATOM 0 HG12 ILE A 92 -1.122 6.162 1.880 1.00 64.11 H new ATOM 0 HG13 ILE A 92 -2.754 5.839 1.328 1.00 64.11 H new ATOM 0 HG21 ILE A 92 -1.154 9.179 1.064 1.00 72.40 H new ATOM 0 HG22 ILE A 92 -1.796 9.806 2.602 1.00 72.40 H new ATOM 0 HG23 ILE A 92 -0.516 8.570 2.610 1.00 72.40 H new ATOM 0 HD11 ILE A 92 -1.199 5.967 -0.560 1.00 63.13 H new ATOM 0 HD12 ILE A 92 -2.389 7.287 -0.641 1.00 63.13 H new ATOM 0 HD13 ILE A 92 -0.732 7.616 -0.080 1.00 63.13 H new ATOM 1419 N ILE A 93 -2.622 8.929 5.428 1.00 41.43 N ATOM 1420 CA ILE A 93 -2.910 10.083 6.249 1.00 2.31 C ATOM 1421 C ILE A 93 -1.991 11.222 5.841 1.00 4.41 C ATOM 1422 O ILE A 93 -0.953 11.451 6.460 1.00 54.12 O ATOM 1423 CB ILE A 93 -2.735 9.777 7.753 1.00 55.24 C ATOM 1424 CG1 ILE A 93 -3.560 8.548 8.153 1.00 2.44 C ATOM 1425 CG2 ILE A 93 -3.136 10.978 8.601 1.00 63.24 C ATOM 1426 CD1 ILE A 93 -5.051 8.710 7.925 1.00 33.21 C ATOM 0 H ILE A 93 -1.875 8.335 5.788 1.00 41.43 H new ATOM 0 HA ILE A 93 -3.952 10.363 6.093 1.00 2.31 H new ATOM 0 HB ILE A 93 -1.681 9.564 7.933 1.00 55.24 H new ATOM 0 HG12 ILE A 93 -3.207 7.686 7.587 1.00 2.44 H new ATOM 0 HG13 ILE A 93 -3.385 8.332 9.207 1.00 2.44 H new ATOM 0 HG21 ILE A 93 -3.004 10.739 9.656 1.00 63.24 H new ATOM 0 HG22 ILE A 93 -2.510 11.832 8.342 1.00 63.24 H new ATOM 0 HG23 ILE A 93 -4.181 11.224 8.412 1.00 63.24 H new ATOM 0 HD11 ILE A 93 -5.567 7.800 8.232 1.00 33.21 H new ATOM 0 HD12 ILE A 93 -5.420 9.551 8.512 1.00 33.21 H new ATOM 0 HD13 ILE A 93 -5.239 8.895 6.867 1.00 33.21 H new ATOM 1438 N ASP A 94 -2.340 11.872 4.747 1.00 61.54 N ATOM 1439 CA ASP A 94 -1.599 13.029 4.277 1.00 30.15 C ATOM 1440 C ASP A 94 -2.190 14.296 4.876 1.00 11.52 C ATOM 1441 O ASP A 94 -3.221 14.803 4.429 1.00 25.11 O ATOM 1442 CB ASP A 94 -1.585 13.088 2.740 1.00 40.20 C ATOM 1443 CG ASP A 94 -2.971 13.085 2.118 1.00 43.35 C ATOM 1444 OD1 ASP A 94 -3.776 12.184 2.434 1.00 45.44 O ATOM 1445 OD2 ASP A 94 -3.255 13.970 1.281 1.00 13.43 O ATOM 0 H ASP A 94 -3.137 11.617 4.163 1.00 61.54 H new ATOM 0 HA ASP A 94 -0.563 12.942 4.605 1.00 30.15 H new ATOM 0 HB2 ASP A 94 -1.056 13.987 2.424 1.00 40.20 H new ATOM 0 HB3 ASP A 94 -1.022 12.236 2.357 1.00 40.20 H new ATOM 1450 N LEU A 95 -1.544 14.787 5.919 1.00 1.33 N ATOM 1451 CA LEU A 95 -2.043 15.942 6.650 1.00 54.41 C ATOM 1452 C LEU A 95 -1.249 17.188 6.296 1.00 25.00 C ATOM 1453 O LEU A 95 -1.237 18.161 7.053 1.00 71.11 O ATOM 1454 CB LEU A 95 -1.980 15.690 8.159 1.00 61.22 C ATOM 1455 CG LEU A 95 -2.870 14.552 8.667 1.00 73.44 C ATOM 1456 CD1 LEU A 95 -2.730 14.396 10.175 1.00 51.55 C ATOM 1457 CD2 LEU A 95 -4.324 14.803 8.285 1.00 21.20 C ATOM 0 H LEU A 95 -0.671 14.404 6.281 1.00 1.33 H new ATOM 0 HA LEU A 95 -3.083 16.100 6.363 1.00 54.41 H new ATOM 0 HB2 LEU A 95 -0.948 15.472 8.432 1.00 61.22 H new ATOM 0 HB3 LEU A 95 -2.260 16.608 8.677 1.00 61.22 H new ATOM 0 HG LEU A 95 -2.546 13.624 8.197 1.00 73.44 H new ATOM 0 HD11 LEU A 95 -3.370 13.583 10.518 1.00 51.55 H new ATOM 0 HD12 LEU A 95 -1.693 14.171 10.423 1.00 51.55 H new ATOM 0 HD13 LEU A 95 -3.027 15.323 10.666 1.00 51.55 H new ATOM 0 HD21 LEU A 95 -4.943 13.985 8.653 1.00 21.20 H new ATOM 0 HD22 LEU A 95 -4.660 15.741 8.728 1.00 21.20 H new ATOM 0 HD23 LEU A 95 -4.410 14.863 7.200 1.00 21.20 H new ATOM 1469 N ASP A 96 -0.597 17.156 5.142 1.00 22.31 N ATOM 1470 CA ASP A 96 0.171 18.295 4.658 1.00 71.41 C ATOM 1471 C ASP A 96 -0.702 19.541 4.583 1.00 42.41 C ATOM 1472 O ASP A 96 -1.853 19.469 4.148 1.00 43.52 O ATOM 1473 CB ASP A 96 0.767 17.994 3.282 1.00 53.12 C ATOM 1474 CG ASP A 96 1.789 16.880 3.329 1.00 42.32 C ATOM 1475 OD1 ASP A 96 1.382 15.700 3.373 1.00 41.11 O ATOM 1476 OD2 ASP A 96 3.003 17.177 3.326 1.00 53.12 O ATOM 0 H ASP A 96 -0.585 16.348 4.520 1.00 22.31 H new ATOM 0 HA ASP A 96 0.983 18.479 5.362 1.00 71.41 H new ATOM 0 HB2 ASP A 96 -0.033 17.721 2.594 1.00 53.12 H new ATOM 0 HB3 ASP A 96 1.234 18.896 2.886 1.00 53.12 H new ATOM 1481 N PRO A 97 -0.168 20.689 5.027 1.00 43.14 N ATOM 1482 CA PRO A 97 -0.898 21.962 5.048 1.00 42.35 C ATOM 1483 C PRO A 97 -1.479 22.327 3.684 1.00 62.34 C ATOM 1484 O PRO A 97 -0.701 22.699 2.785 1.00 39.08 O ATOM 1485 CB PRO A 97 0.166 22.980 5.471 1.00 52.11 C ATOM 1486 CG PRO A 97 1.180 22.182 6.209 1.00 2.02 C ATOM 1487 CD PRO A 97 1.206 20.838 5.543 1.00 20.43 C ATOM 1488 OXT PRO A 97 -2.715 22.253 3.525 1.00 39.08 O ATOM 0 HA PRO A 97 -1.758 21.924 5.717 1.00 42.35 H new ATOM 0 HB2 PRO A 97 0.606 23.476 4.606 1.00 52.11 H new ATOM 0 HB3 PRO A 97 -0.261 23.759 6.102 1.00 52.11 H new ATOM 0 HG2 PRO A 97 2.159 22.659 6.166 1.00 2.02 H new ATOM 0 HG3 PRO A 97 0.915 22.091 7.262 1.00 2.02 H new ATOM 0 HD2 PRO A 97 1.943 20.801 4.741 1.00 20.43 H new ATOM 0 HD3 PRO A 97 1.460 20.045 6.247 1.00 20.43 H new