USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 734 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 90 THR OG1 : rot -73:sc= 0.336 USER MOD Set 1.2: A 91 ASN : amide:sc= -3.15! K(o=-2.8!,f=-0.46) USER MOD Set 2.1: A 71 THR OG1 : rot 77:sc= 1.24 USER MOD Set 2.2: A 74 GLN : amide:sc= 0.736 K(o=2,f=-4.3!) USER MOD Set 3.1: A 68 ASN : amide:sc= -1.94 K(o=-3.3,f=-11!) USER MOD Set 3.2: A 69 ASN : amide:sc= -1.36 K(o=-3.3,f=-6!) USER MOD Set 4.1: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 75 HIS : no HE2:sc= -4.98! C(o=-5!,f=-6.2!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -1.01 X(o=-1,f=-0.79) USER MOD Single : A 34 LYS NZ :NH3+ -129:sc= -0.0556 (180deg=-0.402) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= -0.871 (180deg=-0.922) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -110:sc= -0.0977 USER MOD Single : A 48 HIS : no HD1:sc= -5.98! C(o=-6!,f=-6.6!) USER MOD Single : A 54 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.55) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0682 X(o=-0.068,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -60:sc= 0.989 USER MOD Single : A 67 LYS NZ :NH3+ -165:sc=-0.00452 (180deg=-0.16) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc=-0.00364 X(o=-0.0036,f=-0.23) USER MOD Single : A 84 GLN : amide:sc= -0.0141 K(o=-0.014,f=-0.82) USER MOD Single : A 89 SER OG : rot -165:sc= 0.154 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LEU A 15 11.371 -3.864 -10.970 1.00 0.00 N ATOM 164 CA LEU A 15 10.056 -3.313 -10.663 1.00 0.00 C ATOM 165 C LEU A 15 8.966 -4.360 -10.865 1.00 0.00 C ATOM 166 O LEU A 15 8.941 -5.057 -11.878 1.00 0.00 O ATOM 167 CB LEU A 15 9.776 -2.092 -11.541 1.00 0.00 C ATOM 168 CG LEU A 15 10.234 -0.744 -10.983 1.00 0.00 C ATOM 169 CD1 LEU A 15 10.140 0.335 -12.050 1.00 0.00 C ATOM 170 CD2 LEU A 15 9.408 -0.363 -9.763 1.00 0.00 C ATOM 0 HA LEU A 15 10.052 -3.009 -9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.258 -2.246 -12.506 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.703 -2.041 -11.725 1.00 0.00 H new ATOM 0 HG LEU A 15 11.276 -0.835 -10.677 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.470 1.287 -11.635 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.775 0.068 -12.895 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.107 0.425 -12.387 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.748 0.599 -9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.357 -0.291 -10.043 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.526 -1.124 -8.991 1.00 0.00 H new ATOM 182 N ALA A 16 8.064 -4.462 -9.893 1.00 0.00 N ATOM 183 CA ALA A 16 6.969 -5.421 -9.966 1.00 0.00 C ATOM 184 C ALA A 16 5.618 -4.717 -9.894 1.00 0.00 C ATOM 185 O ALA A 16 5.531 -3.558 -9.488 1.00 0.00 O ATOM 186 CB ALA A 16 7.091 -6.448 -8.851 1.00 0.00 C ATOM 0 H ALA A 16 8.071 -3.892 -9.047 1.00 0.00 H new ATOM 0 HA ALA A 16 7.032 -5.934 -10.925 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.266 -7.158 -8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.037 -6.981 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.057 -5.943 -7.886 1.00 0.00 H new ATOM 192 N THR A 17 4.565 -5.425 -10.290 1.00 0.00 N ATOM 193 CA THR A 17 3.218 -4.868 -10.272 1.00 0.00 C ATOM 194 C THR A 17 2.556 -5.075 -8.915 1.00 0.00 C ATOM 195 O THR A 17 2.229 -6.201 -8.538 1.00 0.00 O ATOM 196 CB THR A 17 2.334 -5.499 -11.364 1.00 0.00 C ATOM 197 OG1 THR A 17 3.060 -5.579 -12.596 1.00 0.00 O ATOM 198 CG2 THR A 17 1.065 -4.686 -11.570 1.00 0.00 C ATOM 0 H THR A 17 4.619 -6.386 -10.627 1.00 0.00 H new ATOM 0 HA THR A 17 3.315 -3.800 -10.467 1.00 0.00 H new ATOM 0 HB THR A 17 2.056 -6.502 -11.040 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.492 -5.983 -13.285 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.457 -5.151 -12.346 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.500 -4.651 -10.638 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.327 -3.673 -11.874 1.00 0.00 H new ATOM 206 N VAL A 18 2.359 -3.982 -8.185 1.00 0.00 N ATOM 207 CA VAL A 18 1.733 -4.045 -6.869 1.00 0.00 C ATOM 208 C VAL A 18 0.392 -3.319 -6.864 1.00 0.00 C ATOM 209 O VAL A 18 0.337 -2.092 -6.947 1.00 0.00 O ATOM 210 CB VAL A 18 2.640 -3.431 -5.786 1.00 0.00 C ATOM 211 CG1 VAL A 18 1.936 -3.430 -4.438 1.00 0.00 C ATOM 212 CG2 VAL A 18 3.959 -4.185 -5.708 1.00 0.00 C ATOM 0 H VAL A 18 2.624 -3.043 -8.482 1.00 0.00 H new ATOM 0 HA VAL A 18 1.574 -5.100 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 18 2.854 -2.397 -6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.592 -2.993 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.020 -2.843 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.691 -4.454 -4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.588 -3.739 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.767 -5.229 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.468 -4.129 -6.670 1.00 0.00 H new ATOM 222 N LYS A 19 -0.689 -4.086 -6.765 1.00 0.00 N ATOM 223 CA LYS A 19 -2.031 -3.517 -6.747 1.00 0.00 C ATOM 224 C LYS A 19 -2.394 -3.024 -5.350 1.00 0.00 C ATOM 225 O LYS A 19 -2.131 -3.698 -4.355 1.00 0.00 O ATOM 226 CB LYS A 19 -3.054 -4.556 -7.214 1.00 0.00 C ATOM 227 CG LYS A 19 -2.853 -5.003 -8.652 1.00 0.00 C ATOM 228 CD LYS A 19 -3.959 -5.942 -9.103 1.00 0.00 C ATOM 229 CE LYS A 19 -3.767 -6.375 -10.549 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.376 -5.408 -11.503 1.00 0.00 N ATOM 0 H LYS A 19 -0.661 -5.103 -6.696 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.047 -2.667 -7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.999 -5.427 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.056 -4.140 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.826 -4.131 -9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.889 -5.502 -8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.977 -6.821 -8.458 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.924 -5.447 -8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.702 -6.472 -10.761 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.212 -7.359 -10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.224 -5.739 -12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.397 -5.334 -11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.934 -4.475 -11.381 1.00 0.00 H new ATOM 244 N VAL A 20 -3.002 -1.843 -5.284 1.00 0.00 N ATOM 245 CA VAL A 20 -3.404 -1.261 -4.009 1.00 0.00 C ATOM 246 C VAL A 20 -4.919 -1.107 -3.928 1.00 0.00 C ATOM 247 O VAL A 20 -5.552 -0.593 -4.850 1.00 0.00 O ATOM 248 CB VAL A 20 -2.747 0.114 -3.788 1.00 0.00 C ATOM 249 CG1 VAL A 20 -3.179 0.705 -2.455 1.00 0.00 C ATOM 250 CG2 VAL A 20 -1.232 -0.002 -3.863 1.00 0.00 C ATOM 0 H VAL A 20 -3.227 -1.271 -6.098 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.069 -1.945 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.077 0.786 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.704 1.676 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.262 0.826 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.880 0.037 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.784 0.979 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.881 -0.690 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.944 -0.378 -4.845 1.00 0.00 H new ATOM 260 N VAL A 21 -5.495 -1.556 -2.817 1.00 0.00 N ATOM 261 CA VAL A 21 -6.936 -1.467 -2.614 1.00 0.00 C ATOM 262 C VAL A 21 -7.263 -0.783 -1.291 1.00 0.00 C ATOM 263 O VAL A 21 -6.769 -1.181 -0.235 1.00 0.00 O ATOM 264 CB VAL A 21 -7.593 -2.859 -2.636 1.00 0.00 C ATOM 265 CG1 VAL A 21 -9.103 -2.740 -2.500 1.00 0.00 C ATOM 266 CG2 VAL A 21 -7.222 -3.603 -3.911 1.00 0.00 C ATOM 0 H VAL A 21 -4.986 -1.985 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.335 -0.872 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.220 -3.431 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.549 -3.734 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.346 -2.250 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.498 -2.150 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.695 -4.585 -3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.565 -3.036 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.140 -3.722 -3.961 1.00 0.00 H new ATOM 276 N LEU A 22 -8.100 0.247 -1.355 1.00 0.00 N ATOM 277 CA LEU A 22 -8.495 0.987 -0.161 1.00 0.00 C ATOM 278 C LEU A 22 -9.537 0.212 0.639 1.00 0.00 C ATOM 279 O LEU A 22 -10.562 -0.206 0.100 1.00 0.00 O ATOM 280 CB LEU A 22 -9.048 2.359 -0.548 1.00 0.00 C ATOM 281 CG LEU A 22 -8.014 3.404 -0.972 1.00 0.00 C ATOM 282 CD1 LEU A 22 -8.681 4.530 -1.746 1.00 0.00 C ATOM 283 CD2 LEU A 22 -7.280 3.951 0.244 1.00 0.00 C ATOM 0 H LEU A 22 -8.518 0.589 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.612 1.122 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.757 2.226 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.609 2.755 0.299 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.286 2.924 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.931 5.264 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.160 4.125 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.431 5.009 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.548 4.693 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.996 4.416 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.770 3.136 0.758 1.00 0.00 H new ATOM 295 N ILE A 23 -9.270 0.028 1.927 1.00 0.00 N ATOM 296 CA ILE A 23 -10.187 -0.693 2.802 1.00 0.00 C ATOM 297 C ILE A 23 -11.447 0.123 3.068 1.00 0.00 C ATOM 298 O ILE A 23 -12.566 -0.307 2.782 1.00 0.00 O ATOM 299 CB ILE A 23 -9.523 -1.044 4.146 1.00 0.00 C ATOM 300 CG1 ILE A 23 -8.851 -2.416 4.066 1.00 0.00 C ATOM 301 CG2 ILE A 23 -10.551 -1.017 5.268 1.00 0.00 C ATOM 302 CD1 ILE A 23 -9.832 -3.563 3.958 1.00 0.00 C ATOM 0 H ILE A 23 -8.426 0.368 2.388 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.456 -1.615 2.287 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.758 -0.298 4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.185 -2.436 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.231 -2.560 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.066 -1.267 6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.988 -0.021 5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.336 -1.744 5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.286 -4.505 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.482 -3.569 4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.435 -3.442 3.058 1.00 0.00 H new ATOM 314 N PRO A 24 -11.266 1.328 3.626 1.00 0.00 N ATOM 315 CA PRO A 24 -12.377 2.231 3.941 1.00 0.00 C ATOM 316 C PRO A 24 -13.033 2.801 2.688 1.00 0.00 C ATOM 317 O PRO A 24 -14.242 3.032 2.658 1.00 0.00 O ATOM 318 CB PRO A 24 -11.711 3.346 4.751 1.00 0.00 C ATOM 319 CG PRO A 24 -10.288 3.337 4.307 1.00 0.00 C ATOM 320 CD PRO A 24 -9.961 1.904 3.993 1.00 0.00 C ATOM 0 HA PRO A 24 -13.179 1.720 4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.180 4.311 4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.793 3.161 5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.149 3.970 3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.633 3.725 5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.243 1.825 3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.524 1.394 4.852 1.00 0.00 H new ATOM 328 N VAL A 25 -12.228 3.027 1.655 1.00 0.00 N ATOM 329 CA VAL A 25 -12.731 3.569 0.398 1.00 0.00 C ATOM 330 C VAL A 25 -13.226 2.458 -0.521 1.00 0.00 C ATOM 331 O VAL A 25 -14.311 2.549 -1.093 1.00 0.00 O ATOM 332 CB VAL A 25 -11.648 4.383 -0.335 1.00 0.00 C ATOM 333 CG1 VAL A 25 -12.281 5.323 -1.350 1.00 0.00 C ATOM 334 CG2 VAL A 25 -10.797 5.156 0.661 1.00 0.00 C ATOM 0 H VAL A 25 -11.225 2.843 1.664 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.563 4.227 0.647 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.000 3.691 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.500 5.889 -1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.843 4.743 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.954 6.011 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.037 5.725 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.430 5.839 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.313 4.458 1.345 1.00 0.00 H new ATOM 344 N GLY A 26 -12.421 1.408 -0.658 1.00 0.00 N ATOM 345 CA GLY A 26 -12.795 0.294 -1.509 1.00 0.00 C ATOM 346 C GLY A 26 -12.349 0.486 -2.945 1.00 0.00 C ATOM 347 O GLY A 26 -12.567 -0.382 -3.790 1.00 0.00 O ATOM 0 H GLY A 26 -11.517 1.310 -0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.357 -0.623 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.877 0.167 -1.482 1.00 0.00 H new ATOM 351 N GLN A 27 -11.726 1.626 -3.222 1.00 0.00 N ATOM 352 CA GLN A 27 -11.251 1.930 -4.567 1.00 0.00 C ATOM 353 C GLN A 27 -10.067 1.044 -4.939 1.00 0.00 C ATOM 354 O GLN A 27 -9.563 0.285 -4.111 1.00 0.00 O ATOM 355 CB GLN A 27 -10.853 3.403 -4.669 1.00 0.00 C ATOM 356 CG GLN A 27 -10.923 3.955 -6.084 1.00 0.00 C ATOM 357 CD GLN A 27 -11.103 5.460 -6.115 1.00 0.00 C ATOM 358 OE1 GLN A 27 -12.227 5.962 -6.136 1.00 0.00 O ATOM 359 NE2 GLN A 27 -9.993 6.189 -6.120 1.00 0.00 N ATOM 0 H GLN A 27 -11.538 2.355 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 27 -12.064 1.731 -5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.506 3.993 -4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.838 3.524 -4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.010 3.691 -6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.751 3.483 -6.614 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.082 5.731 -6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.052 7.207 -6.142 1.00 0.00 H new ATOM 368 N GLU A 28 -9.627 1.147 -6.189 1.00 0.00 N ATOM 369 CA GLU A 28 -8.502 0.353 -6.670 1.00 0.00 C ATOM 370 C GLU A 28 -7.467 1.238 -7.359 1.00 0.00 C ATOM 371 O GLU A 28 -7.802 2.037 -8.234 1.00 0.00 O ATOM 372 CB GLU A 28 -8.989 -0.728 -7.637 1.00 0.00 C ATOM 373 CG GLU A 28 -9.625 -1.922 -6.946 1.00 0.00 C ATOM 374 CD GLU A 28 -9.975 -3.038 -7.911 1.00 0.00 C ATOM 375 OE1 GLU A 28 -10.975 -2.896 -8.645 1.00 0.00 O ATOM 376 OE2 GLU A 28 -9.247 -4.053 -7.932 1.00 0.00 O ATOM 0 H GLU A 28 -10.032 1.772 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.032 -0.124 -5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.712 -0.289 -8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.147 -1.073 -8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.942 -2.304 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.528 -1.598 -6.428 1.00 0.00 H new ATOM 383 N ILE A 29 -6.210 1.090 -6.956 1.00 0.00 N ATOM 384 CA ILE A 29 -5.126 1.875 -7.534 1.00 0.00 C ATOM 385 C ILE A 29 -3.907 1.004 -7.819 1.00 0.00 C ATOM 386 O ILE A 29 -3.478 0.221 -6.971 1.00 0.00 O ATOM 387 CB ILE A 29 -4.710 3.031 -6.605 1.00 0.00 C ATOM 388 CG1 ILE A 29 -5.940 3.824 -6.160 1.00 0.00 C ATOM 389 CG2 ILE A 29 -3.711 3.940 -7.305 1.00 0.00 C ATOM 390 CD1 ILE A 29 -5.667 4.770 -5.011 1.00 0.00 C ATOM 0 H ILE A 29 -5.917 0.434 -6.232 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.501 2.289 -8.470 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.231 2.612 -5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.320 4.395 -7.007 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.725 3.127 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.427 4.752 -6.636 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.825 3.366 -7.576 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.165 4.354 -8.205 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.584 5.298 -4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.316 4.203 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.905 5.491 -5.306 1.00 0.00 H new ATOM 402 N VAL A 30 -3.353 1.145 -9.019 1.00 0.00 N ATOM 403 CA VAL A 30 -2.182 0.373 -9.416 1.00 0.00 C ATOM 404 C VAL A 30 -0.966 1.274 -9.598 1.00 0.00 C ATOM 405 O VAL A 30 -1.039 2.306 -10.267 1.00 0.00 O ATOM 406 CB VAL A 30 -2.435 -0.399 -10.725 1.00 0.00 C ATOM 407 CG1 VAL A 30 -1.150 -1.041 -11.224 1.00 0.00 C ATOM 408 CG2 VAL A 30 -3.520 -1.446 -10.523 1.00 0.00 C ATOM 0 H VAL A 30 -3.697 1.787 -9.733 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.987 -0.340 -8.615 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.778 0.306 -11.482 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.349 -1.582 -12.149 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.405 -0.267 -11.409 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.774 -1.735 -10.472 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.687 -1.982 -11.457 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.208 -2.150 -9.751 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.444 -0.957 -10.216 1.00 0.00 H new ATOM 418 N ILE A 31 0.152 0.878 -9.000 1.00 0.00 N ATOM 419 CA ILE A 31 1.385 1.649 -9.097 1.00 0.00 C ATOM 420 C ILE A 31 2.609 0.748 -8.970 1.00 0.00 C ATOM 421 O ILE A 31 2.671 -0.140 -8.120 1.00 0.00 O ATOM 422 CB ILE A 31 1.453 2.743 -8.015 1.00 0.00 C ATOM 423 CG1 ILE A 31 2.635 3.678 -8.277 1.00 0.00 C ATOM 424 CG2 ILE A 31 1.562 2.115 -6.634 1.00 0.00 C ATOM 425 CD1 ILE A 31 2.936 4.609 -7.123 1.00 0.00 C ATOM 0 H ILE A 31 0.229 0.027 -8.443 1.00 0.00 H new ATOM 0 HA ILE A 31 1.384 2.121 -10.080 1.00 0.00 H new ATOM 0 HB ILE A 31 0.535 3.330 -8.054 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.521 3.080 -8.491 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.428 4.271 -9.168 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.609 2.901 -5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.690 1.487 -6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.465 1.507 -6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.785 5.243 -7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.065 5.233 -6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.175 4.023 -6.235 1.00 0.00 H new ATOM 437 N PRO A 32 3.608 0.981 -9.833 1.00 0.00 N ATOM 438 CA PRO A 32 4.850 0.203 -9.836 1.00 0.00 C ATOM 439 C PRO A 32 5.713 0.483 -8.611 1.00 0.00 C ATOM 440 O PRO A 32 5.896 1.636 -8.218 1.00 0.00 O ATOM 441 CB PRO A 32 5.560 0.672 -11.109 1.00 0.00 C ATOM 442 CG PRO A 32 5.026 2.040 -11.358 1.00 0.00 C ATOM 443 CD PRO A 32 3.603 2.024 -10.874 1.00 0.00 C ATOM 0 HA PRO A 32 4.658 -0.870 -9.809 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.642 0.687 -10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.351 0.007 -11.947 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.611 2.790 -10.825 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.075 2.291 -12.418 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.305 2.992 -10.471 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.908 1.785 -11.679 1.00 0.00 H new ATOM 451 N PHE A 33 6.242 -0.577 -8.009 1.00 0.00 N ATOM 452 CA PHE A 33 7.085 -0.445 -6.827 1.00 0.00 C ATOM 453 C PHE A 33 8.239 -1.443 -6.868 1.00 0.00 C ATOM 454 O PHE A 33 8.082 -2.573 -7.330 1.00 0.00 O ATOM 455 CB PHE A 33 6.258 -0.655 -5.558 1.00 0.00 C ATOM 456 CG PHE A 33 6.866 -0.029 -4.335 1.00 0.00 C ATOM 457 CD1 PHE A 33 7.229 1.308 -4.333 1.00 0.00 C ATOM 458 CD2 PHE A 33 7.074 -0.778 -3.188 1.00 0.00 C ATOM 459 CE1 PHE A 33 7.788 1.887 -3.209 1.00 0.00 C ATOM 460 CE2 PHE A 33 7.633 -0.205 -2.062 1.00 0.00 C ATOM 461 CZ PHE A 33 7.991 1.129 -2.073 1.00 0.00 C ATOM 0 H PHE A 33 6.101 -1.538 -8.321 1.00 0.00 H new ATOM 0 HA PHE A 33 7.500 0.563 -6.818 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.261 -0.241 -5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.136 -1.724 -5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.073 1.905 -5.220 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.796 -1.822 -3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.066 2.931 -3.219 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.790 -0.800 -1.174 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.429 1.579 -1.194 1.00 0.00 H new ATOM 471 N LYS A 34 9.399 -1.017 -6.380 1.00 0.00 N ATOM 472 CA LYS A 34 10.580 -1.871 -6.359 1.00 0.00 C ATOM 473 C LYS A 34 10.457 -2.944 -5.281 1.00 0.00 C ATOM 474 O LYS A 34 9.935 -2.690 -4.195 1.00 0.00 O ATOM 475 CB LYS A 34 11.837 -1.033 -6.116 1.00 0.00 C ATOM 476 CG LYS A 34 12.338 -0.315 -7.357 1.00 0.00 C ATOM 477 CD LYS A 34 11.620 1.008 -7.564 1.00 0.00 C ATOM 478 CE LYS A 34 12.242 1.809 -8.698 1.00 0.00 C ATOM 479 NZ LYS A 34 13.653 2.184 -8.403 1.00 0.00 N ATOM 0 H LYS A 34 9.546 -0.085 -5.994 1.00 0.00 H new ATOM 0 HA LYS A 34 10.659 -2.362 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.628 -0.297 -5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.628 -1.681 -5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.410 -0.138 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.191 -0.950 -8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.568 0.822 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.656 1.591 -6.643 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.206 1.225 -9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.655 2.711 -8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.780 3.205 -8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.875 1.950 -7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.291 1.659 -9.035 1.00 0.00 H new ATOM 493 N VAL A 35 10.940 -4.143 -5.588 1.00 0.00 N ATOM 494 CA VAL A 35 10.886 -5.254 -4.645 1.00 0.00 C ATOM 495 C VAL A 35 11.998 -5.148 -3.607 1.00 0.00 C ATOM 496 O VAL A 35 11.936 -5.777 -2.550 1.00 0.00 O ATOM 497 CB VAL A 35 11.000 -6.610 -5.367 1.00 0.00 C ATOM 498 CG1 VAL A 35 9.859 -6.785 -6.357 1.00 0.00 C ATOM 499 CG2 VAL A 35 12.346 -6.730 -6.065 1.00 0.00 C ATOM 0 H VAL A 35 11.373 -4.370 -6.483 1.00 0.00 H new ATOM 0 HA VAL A 35 9.919 -5.198 -4.145 1.00 0.00 H new ATOM 0 HB VAL A 35 10.930 -7.405 -4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.956 -7.748 -6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.908 -6.746 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.894 -5.986 -7.098 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.409 -7.694 -6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.449 -5.929 -6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.146 -6.653 -5.329 1.00 0.00 H new ATOM 509 N ASP A 36 13.014 -4.350 -3.916 1.00 0.00 N ATOM 510 CA ASP A 36 14.140 -4.160 -3.009 1.00 0.00 C ATOM 511 C ASP A 36 13.909 -2.956 -2.101 1.00 0.00 C ATOM 512 O ASP A 36 14.514 -2.845 -1.033 1.00 0.00 O ATOM 513 CB ASP A 36 15.435 -3.976 -3.802 1.00 0.00 C ATOM 514 CG ASP A 36 15.334 -2.861 -4.824 1.00 0.00 C ATOM 515 OD1 ASP A 36 15.628 -1.701 -4.468 1.00 0.00 O ATOM 516 OD2 ASP A 36 14.961 -3.149 -5.981 1.00 0.00 O ATOM 0 H ASP A 36 13.081 -3.824 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 36 14.228 -5.050 -2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 36 16.252 -3.761 -3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.683 -4.908 -4.309 1.00 0.00 H new ATOM 521 N THR A 37 13.031 -2.056 -2.531 1.00 0.00 N ATOM 522 CA THR A 37 12.722 -0.859 -1.758 1.00 0.00 C ATOM 523 C THR A 37 11.672 -1.149 -0.693 1.00 0.00 C ATOM 524 O THR A 37 10.647 -1.773 -0.971 1.00 0.00 O ATOM 525 CB THR A 37 12.218 0.280 -2.664 1.00 0.00 C ATOM 526 OG1 THR A 37 13.162 0.527 -3.712 1.00 0.00 O ATOM 527 CG2 THR A 37 11.999 1.553 -1.861 1.00 0.00 C ATOM 0 H THR A 37 12.521 -2.133 -3.411 1.00 0.00 H new ATOM 0 HA THR A 37 13.648 -0.546 -1.275 1.00 0.00 H new ATOM 0 HB THR A 37 11.266 -0.025 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.833 1.251 -4.284 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.643 2.343 -2.522 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.258 1.369 -1.083 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.939 1.860 -1.402 1.00 0.00 H new ATOM 535 N ILE A 38 11.931 -0.692 0.528 1.00 0.00 N ATOM 536 CA ILE A 38 11.006 -0.901 1.634 1.00 0.00 C ATOM 537 C ILE A 38 9.599 -0.442 1.269 1.00 0.00 C ATOM 538 O ILE A 38 9.400 0.251 0.270 1.00 0.00 O ATOM 539 CB ILE A 38 11.465 -0.154 2.900 1.00 0.00 C ATOM 540 CG1 ILE A 38 11.601 1.343 2.615 1.00 0.00 C ATOM 541 CG2 ILE A 38 12.783 -0.724 3.404 1.00 0.00 C ATOM 542 CD1 ILE A 38 11.957 2.162 3.836 1.00 0.00 C ATOM 0 H ILE A 38 12.774 -0.174 0.776 1.00 0.00 H new ATOM 0 HA ILE A 38 10.995 -1.972 1.837 1.00 0.00 H new ATOM 0 HB ILE A 38 10.712 -0.290 3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.366 1.491 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 38 10.663 1.712 2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.094 -0.185 4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.655 -1.780 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.545 -0.616 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.037 3.213 3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.181 2.044 4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 38 12.910 1.820 4.238 1.00 0.00 H new ATOM 554 N LEU A 39 8.625 -0.830 2.085 1.00 0.00 N ATOM 555 CA LEU A 39 7.235 -0.457 1.849 1.00 0.00 C ATOM 556 C LEU A 39 7.000 1.012 2.187 1.00 0.00 C ATOM 557 O LEU A 39 6.337 1.734 1.442 1.00 0.00 O ATOM 558 CB LEU A 39 6.301 -1.339 2.680 1.00 0.00 C ATOM 559 CG LEU A 39 6.229 -2.811 2.272 1.00 0.00 C ATOM 560 CD1 LEU A 39 5.862 -3.678 3.466 1.00 0.00 C ATOM 561 CD2 LEU A 39 5.228 -3.003 1.143 1.00 0.00 C ATOM 0 H LEU A 39 8.772 -1.403 2.916 1.00 0.00 H new ATOM 0 HA LEU A 39 7.020 -0.606 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.616 -1.286 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.296 -0.919 2.629 1.00 0.00 H new ATOM 0 HG LEU A 39 7.212 -3.118 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.815 -4.722 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.616 -3.563 4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.891 -3.371 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.190 -4.056 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.241 -2.679 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.535 -2.412 0.280 1.00 0.00 H new ATOM 573 N LYS A 40 7.551 1.449 3.314 1.00 0.00 N ATOM 574 CA LYS A 40 7.406 2.833 3.751 1.00 0.00 C ATOM 575 C LYS A 40 7.398 3.782 2.557 1.00 0.00 C ATOM 576 O LYS A 40 6.425 4.501 2.330 1.00 0.00 O ATOM 577 CB LYS A 40 8.540 3.209 4.708 1.00 0.00 C ATOM 578 CG LYS A 40 8.163 4.296 5.699 1.00 0.00 C ATOM 579 CD LYS A 40 9.393 4.983 6.268 1.00 0.00 C ATOM 580 CE LYS A 40 9.919 6.054 5.325 1.00 0.00 C ATOM 581 NZ LYS A 40 9.266 7.371 5.564 1.00 0.00 N ATOM 0 H LYS A 40 8.103 0.864 3.942 1.00 0.00 H new ATOM 0 HA LYS A 40 6.453 2.925 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.851 2.320 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.400 3.541 4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.528 5.033 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.579 3.863 6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.148 5.432 7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.172 4.243 6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.997 6.154 5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.748 5.746 4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.651 8.075 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.240 7.282 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.450 7.678 6.541 1.00 0.00 H new ATOM 595 N TYR A 41 8.487 3.778 1.797 1.00 0.00 N ATOM 596 CA TYR A 41 8.606 4.639 0.626 1.00 0.00 C ATOM 597 C TYR A 41 7.263 4.782 -0.083 1.00 0.00 C ATOM 598 O TYR A 41 6.832 5.891 -0.406 1.00 0.00 O ATOM 599 CB TYR A 41 9.650 4.079 -0.342 1.00 0.00 C ATOM 600 CG TYR A 41 11.049 4.591 -0.085 1.00 0.00 C ATOM 601 CD1 TYR A 41 11.744 4.228 1.062 1.00 0.00 C ATOM 602 CD2 TYR A 41 11.677 5.437 -0.992 1.00 0.00 C ATOM 603 CE1 TYR A 41 13.022 4.693 1.300 1.00 0.00 C ATOM 604 CE2 TYR A 41 12.956 5.906 -0.762 1.00 0.00 C ATOM 605 CZ TYR A 41 13.624 5.532 0.385 1.00 0.00 C ATOM 606 OH TYR A 41 14.898 5.997 0.618 1.00 0.00 O ATOM 0 H TYR A 41 9.301 3.188 1.971 1.00 0.00 H new ATOM 0 HA TYR A 41 8.926 5.625 0.963 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.652 2.991 -0.272 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.361 4.333 -1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 41 11.276 3.571 1.780 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.157 5.732 -1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 41 13.548 4.402 2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 41 13.430 6.562 -1.477 1.00 0.00 H new ATOM 0 HH TYR A 41 15.176 6.575 -0.123 1.00 0.00 H new ATOM 616 N LEU A 42 6.605 3.654 -0.323 1.00 0.00 N ATOM 617 CA LEU A 42 5.309 3.651 -0.993 1.00 0.00 C ATOM 618 C LEU A 42 4.222 4.210 -0.081 1.00 0.00 C ATOM 619 O LEU A 42 3.311 4.902 -0.535 1.00 0.00 O ATOM 620 CB LEU A 42 4.943 2.232 -1.431 1.00 0.00 C ATOM 621 CG LEU A 42 3.643 2.089 -2.224 1.00 0.00 C ATOM 622 CD1 LEU A 42 3.821 2.609 -3.641 1.00 0.00 C ATOM 623 CD2 LEU A 42 3.185 0.637 -2.240 1.00 0.00 C ATOM 0 H LEU A 42 6.947 2.729 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 42 5.382 4.290 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.760 1.838 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.874 1.605 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 42 2.874 2.687 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.885 2.499 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.101 3.662 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.604 2.040 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.259 0.554 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.953 0.018 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.015 0.298 -1.218 1.00 0.00 H new ATOM 635 N LYS A 43 4.327 3.909 1.209 1.00 0.00 N ATOM 636 CA LYS A 43 3.356 4.384 2.187 1.00 0.00 C ATOM 637 C LYS A 43 3.443 5.898 2.350 1.00 0.00 C ATOM 638 O LYS A 43 2.511 6.624 2.004 1.00 0.00 O ATOM 639 CB LYS A 43 3.585 3.701 3.537 1.00 0.00 C ATOM 640 CG LYS A 43 2.440 3.889 4.517 1.00 0.00 C ATOM 641 CD LYS A 43 2.310 2.703 5.458 1.00 0.00 C ATOM 642 CE LYS A 43 3.589 2.478 6.250 1.00 0.00 C ATOM 643 NZ LYS A 43 3.996 3.696 7.004 1.00 0.00 N ATOM 0 H LYS A 43 5.075 3.338 1.601 1.00 0.00 H new ATOM 0 HA LYS A 43 2.360 4.132 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.740 2.635 3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.500 4.092 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.601 4.798 5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.508 4.022 3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.480 2.871 6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.073 1.807 4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.445 1.651 6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.390 2.187 5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.801 3.469 7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.273 4.442 6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.199 4.028 7.583 1.00 0.00 H new ATOM 657 N ASP A 44 4.569 6.368 2.876 1.00 0.00 N ATOM 658 CA ASP A 44 4.779 7.796 3.082 1.00 0.00 C ATOM 659 C ASP A 44 4.121 8.608 1.970 1.00 0.00 C ATOM 660 O ASP A 44 3.655 9.725 2.196 1.00 0.00 O ATOM 661 CB ASP A 44 6.275 8.109 3.143 1.00 0.00 C ATOM 662 CG ASP A 44 6.557 9.474 3.741 1.00 0.00 C ATOM 663 OD1 ASP A 44 6.215 9.684 4.924 1.00 0.00 O ATOM 664 OD2 ASP A 44 7.118 10.331 3.027 1.00 0.00 O ATOM 0 H ASP A 44 5.350 5.781 3.167 1.00 0.00 H new ATOM 0 HA ASP A 44 4.319 8.073 4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.779 7.345 3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.694 8.062 2.138 1.00 0.00 H new ATOM 669 N HIS A 45 4.087 8.039 0.770 1.00 0.00 N ATOM 670 CA HIS A 45 3.487 8.710 -0.378 1.00 0.00 C ATOM 671 C HIS A 45 2.008 8.991 -0.130 1.00 0.00 C ATOM 672 O HIS A 45 1.599 10.144 0.006 1.00 0.00 O ATOM 673 CB HIS A 45 3.652 7.859 -1.637 1.00 0.00 C ATOM 674 CG HIS A 45 3.683 8.661 -2.902 1.00 0.00 C ATOM 675 ND1 HIS A 45 4.849 9.142 -3.460 1.00 0.00 N ATOM 676 CD2 HIS A 45 2.683 9.063 -3.720 1.00 0.00 C ATOM 677 CE1 HIS A 45 4.564 9.808 -4.564 1.00 0.00 C ATOM 678 NE2 HIS A 45 3.256 9.775 -4.745 1.00 0.00 N ATOM 0 H HIS A 45 4.468 7.115 0.567 1.00 0.00 H new ATOM 0 HA HIS A 45 4.001 9.660 -0.522 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.574 7.284 -1.558 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.833 7.142 -1.691 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.630 8.861 -3.591 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.279 10.297 -5.209 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.753 10.208 -5.520 1.00 0.00 H new ATOM 687 N PHE A 46 1.210 7.929 -0.074 1.00 0.00 N ATOM 688 CA PHE A 46 -0.224 8.061 0.156 1.00 0.00 C ATOM 689 C PHE A 46 -0.501 8.946 1.367 1.00 0.00 C ATOM 690 O PHE A 46 -1.482 9.689 1.395 1.00 0.00 O ATOM 691 CB PHE A 46 -0.858 6.684 0.360 1.00 0.00 C ATOM 692 CG PHE A 46 -1.118 5.948 -0.923 1.00 0.00 C ATOM 693 CD1 PHE A 46 -0.085 5.315 -1.596 1.00 0.00 C ATOM 694 CD2 PHE A 46 -2.395 5.889 -1.457 1.00 0.00 C ATOM 695 CE1 PHE A 46 -0.321 4.636 -2.777 1.00 0.00 C ATOM 696 CE2 PHE A 46 -2.637 5.212 -2.637 1.00 0.00 C ATOM 697 CZ PHE A 46 -1.599 4.585 -3.299 1.00 0.00 C ATOM 0 H PHE A 46 1.532 6.968 -0.185 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.666 8.530 -0.723 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.203 6.081 0.989 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.798 6.802 0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.916 5.353 -1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.211 6.378 -0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.493 4.146 -3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.638 5.173 -3.042 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.786 4.056 -4.222 1.00 0.00 H new ATOM 707 N SER A 47 0.370 8.860 2.368 1.00 0.00 N ATOM 708 CA SER A 47 0.217 9.649 3.584 1.00 0.00 C ATOM 709 C SER A 47 0.144 11.138 3.261 1.00 0.00 C ATOM 710 O SER A 47 -0.898 11.772 3.431 1.00 0.00 O ATOM 711 CB SER A 47 1.380 9.380 4.541 1.00 0.00 C ATOM 712 OG SER A 47 1.539 7.991 4.773 1.00 0.00 O ATOM 0 H SER A 47 1.189 8.252 2.360 1.00 0.00 H new ATOM 0 HA SER A 47 -0.716 9.353 4.064 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.300 9.790 4.124 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.203 9.892 5.487 1.00 0.00 H new ATOM 0 HG SER A 47 1.277 7.781 5.694 1.00 0.00 H new ATOM 718 N HIS A 48 1.258 11.691 2.793 1.00 0.00 N ATOM 719 CA HIS A 48 1.322 13.106 2.445 1.00 0.00 C ATOM 720 C HIS A 48 0.145 13.500 1.557 1.00 0.00 C ATOM 721 O HIS A 48 -0.599 14.431 1.871 1.00 0.00 O ATOM 722 CB HIS A 48 2.639 13.419 1.734 1.00 0.00 C ATOM 723 CG HIS A 48 2.567 13.269 0.245 1.00 0.00 C ATOM 724 ND1 HIS A 48 3.107 12.194 -0.429 1.00 0.00 N ATOM 725 CD2 HIS A 48 2.012 14.064 -0.699 1.00 0.00 C ATOM 726 CE1 HIS A 48 2.889 12.336 -1.724 1.00 0.00 C ATOM 727 NE2 HIS A 48 2.226 13.462 -1.915 1.00 0.00 N ATOM 0 H HIS A 48 2.129 11.181 2.646 1.00 0.00 H new ATOM 0 HA HIS A 48 1.269 13.685 3.367 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.938 14.439 1.974 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.416 12.760 2.120 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.497 14.998 -0.528 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.200 11.648 -2.496 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.922 13.825 -2.818 1.00 0.00 H new ATOM 736 N LEU A 49 -0.018 12.787 0.448 1.00 0.00 N ATOM 737 CA LEU A 49 -1.105 13.063 -0.486 1.00 0.00 C ATOM 738 C LEU A 49 -2.439 13.163 0.246 1.00 0.00 C ATOM 739 O LEU A 49 -3.158 14.155 0.116 1.00 0.00 O ATOM 740 CB LEU A 49 -1.176 11.969 -1.553 1.00 0.00 C ATOM 741 CG LEU A 49 -2.106 12.245 -2.735 1.00 0.00 C ATOM 742 CD1 LEU A 49 -3.525 12.497 -2.250 1.00 0.00 C ATOM 743 CD2 LEU A 49 -1.600 13.428 -3.547 1.00 0.00 C ATOM 0 H LEU A 49 0.588 12.014 0.173 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.904 14.020 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.171 11.800 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.494 11.043 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.115 11.365 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.173 12.692 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.887 11.620 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.534 13.360 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.274 13.610 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.561 14.314 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.602 13.209 -3.926 1.00 0.00 H new ATOM 755 N LEU A 50 -2.764 12.131 1.017 1.00 0.00 N ATOM 756 CA LEU A 50 -4.012 12.104 1.772 1.00 0.00 C ATOM 757 C LEU A 50 -4.031 13.199 2.833 1.00 0.00 C ATOM 758 O LEU A 50 -5.094 13.671 3.234 1.00 0.00 O ATOM 759 CB LEU A 50 -4.202 10.736 2.431 1.00 0.00 C ATOM 760 CG LEU A 50 -4.390 9.553 1.481 1.00 0.00 C ATOM 761 CD1 LEU A 50 -4.007 8.251 2.167 1.00 0.00 C ATOM 762 CD2 LEU A 50 -5.826 9.493 0.981 1.00 0.00 C ATOM 0 H LEU A 50 -2.181 11.302 1.136 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.832 12.284 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.336 10.536 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.070 10.789 3.089 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.733 9.694 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.147 7.420 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.962 8.295 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.637 8.103 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.941 8.645 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.502 9.377 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.065 10.414 0.450 1.00 0.00 H new ATOM 774 N GLY A 51 -2.846 13.601 3.283 1.00 0.00 N ATOM 775 CA GLY A 51 -2.749 14.640 4.291 1.00 0.00 C ATOM 776 C GLY A 51 -2.738 14.081 5.700 1.00 0.00 C ATOM 777 O GLY A 51 -2.899 14.822 6.670 1.00 0.00 O ATOM 0 H GLY A 51 -1.952 13.225 2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.840 15.219 4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.588 15.327 4.182 1.00 0.00 H new ATOM 781 N ILE A 52 -2.550 12.770 5.814 1.00 0.00 N ATOM 782 CA ILE A 52 -2.521 12.113 7.114 1.00 0.00 C ATOM 783 C ILE A 52 -1.173 11.444 7.362 1.00 0.00 C ATOM 784 O ILE A 52 -0.495 10.996 6.437 1.00 0.00 O ATOM 785 CB ILE A 52 -3.635 11.057 7.237 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.493 10.004 6.137 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.003 11.721 7.170 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.522 8.898 6.223 1.00 0.00 C ATOM 0 H ILE A 52 -2.416 12.143 5.021 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.683 12.889 7.862 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.541 10.560 8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.576 10.492 5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.496 9.567 6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.780 10.962 7.258 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.100 12.437 7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.109 12.240 6.217 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.361 8.188 5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.425 8.385 7.180 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.522 9.324 6.139 1.00 0.00 H new ATOM 800 N PRO A 53 -0.774 11.373 8.640 1.00 0.00 N ATOM 801 CA PRO A 53 0.496 10.758 9.040 1.00 0.00 C ATOM 802 C PRO A 53 0.490 9.244 8.854 1.00 0.00 C ATOM 803 O PRO A 53 -0.570 8.623 8.770 1.00 0.00 O ATOM 804 CB PRO A 53 0.611 11.114 10.524 1.00 0.00 C ATOM 805 CG PRO A 53 -0.795 11.316 10.975 1.00 0.00 C ATOM 806 CD PRO A 53 -1.531 11.886 9.794 1.00 0.00 C ATOM 0 HA PRO A 53 1.330 11.116 8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.096 10.316 11.086 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.207 12.015 10.670 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.241 10.374 11.295 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.838 11.995 11.826 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.570 11.557 9.771 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.542 12.976 9.815 1.00 0.00 H new ATOM 814 N HIS A 54 1.680 8.656 8.791 1.00 0.00 N ATOM 815 CA HIS A 54 1.812 7.214 8.616 1.00 0.00 C ATOM 816 C HIS A 54 1.735 6.494 9.960 1.00 0.00 C ATOM 817 O HIS A 54 1.515 5.285 10.015 1.00 0.00 O ATOM 818 CB HIS A 54 3.133 6.882 7.922 1.00 0.00 C ATOM 819 CG HIS A 54 4.274 7.749 8.358 1.00 0.00 C ATOM 820 ND1 HIS A 54 4.731 7.793 9.658 1.00 0.00 N ATOM 821 CD2 HIS A 54 5.053 8.606 7.658 1.00 0.00 C ATOM 822 CE1 HIS A 54 5.740 8.642 9.739 1.00 0.00 C ATOM 823 NE2 HIS A 54 5.955 9.149 8.539 1.00 0.00 N ATOM 0 H HIS A 54 2.567 9.156 8.858 1.00 0.00 H new ATOM 0 HA HIS A 54 0.986 6.872 7.992 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.384 5.840 8.117 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.003 6.982 6.844 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.979 8.823 6.603 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.295 8.881 10.634 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.674 9.833 8.305 1.00 0.00 H new ATOM 832 N SER A 55 1.918 7.247 11.040 1.00 0.00 N ATOM 833 CA SER A 55 1.874 6.680 12.383 1.00 0.00 C ATOM 834 C SER A 55 0.559 5.943 12.618 1.00 0.00 C ATOM 835 O SER A 55 0.476 5.054 13.465 1.00 0.00 O ATOM 836 CB SER A 55 2.050 7.782 13.430 1.00 0.00 C ATOM 837 OG SER A 55 1.692 7.320 14.721 1.00 0.00 O ATOM 0 H SER A 55 2.098 8.251 11.011 1.00 0.00 H new ATOM 0 HA SER A 55 2.692 5.966 12.477 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.086 8.121 13.436 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.435 8.642 13.164 1.00 0.00 H new ATOM 0 HG SER A 55 1.815 8.042 15.372 1.00 0.00 H new ATOM 843 N VAL A 56 -0.467 6.321 11.862 1.00 0.00 N ATOM 844 CA VAL A 56 -1.778 5.696 11.987 1.00 0.00 C ATOM 845 C VAL A 56 -2.067 4.783 10.800 1.00 0.00 C ATOM 846 O VAL A 56 -2.757 3.772 10.934 1.00 0.00 O ATOM 847 CB VAL A 56 -2.895 6.752 12.092 1.00 0.00 C ATOM 848 CG1 VAL A 56 -2.707 7.605 13.337 1.00 0.00 C ATOM 849 CG2 VAL A 56 -2.929 7.617 10.841 1.00 0.00 C ATOM 0 H VAL A 56 -0.415 7.056 11.157 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.761 5.104 12.902 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.852 6.237 12.175 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.505 8.345 13.395 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.737 6.969 14.222 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.744 8.113 13.288 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.724 8.357 10.932 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.972 8.125 10.724 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.116 6.989 9.970 1.00 0.00 H new ATOM 859 N LEU A 57 -1.534 5.146 9.639 1.00 0.00 N ATOM 860 CA LEU A 57 -1.734 4.359 8.426 1.00 0.00 C ATOM 861 C LEU A 57 -0.802 3.152 8.401 1.00 0.00 C ATOM 862 O LEU A 57 0.380 3.262 8.725 1.00 0.00 O ATOM 863 CB LEU A 57 -1.498 5.225 7.188 1.00 0.00 C ATOM 864 CG LEU A 57 -1.164 4.475 5.898 1.00 0.00 C ATOM 865 CD1 LEU A 57 -2.324 3.584 5.483 1.00 0.00 C ATOM 866 CD2 LEU A 57 -0.817 5.455 4.786 1.00 0.00 C ATOM 0 H LEU A 57 -0.960 5.980 9.511 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.763 4.001 8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.390 5.826 7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.684 5.917 7.403 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.295 3.843 6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.068 3.058 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.526 2.859 6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.211 4.195 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.582 4.904 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.666 6.113 4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.046 6.051 5.082 1.00 0.00 H new ATOM 878 N GLN A 58 -1.342 2.001 8.012 1.00 0.00 N ATOM 879 CA GLN A 58 -0.558 0.774 7.943 1.00 0.00 C ATOM 880 C GLN A 58 -0.899 -0.020 6.687 1.00 0.00 C ATOM 881 O GLN A 58 -1.741 0.394 5.889 1.00 0.00 O ATOM 882 CB GLN A 58 -0.805 -0.084 9.185 1.00 0.00 C ATOM 883 CG GLN A 58 -0.922 0.722 10.469 1.00 0.00 C ATOM 884 CD GLN A 58 -0.567 -0.086 11.701 1.00 0.00 C ATOM 885 OE1 GLN A 58 0.498 0.095 12.291 1.00 0.00 O ATOM 886 NE2 GLN A 58 -1.460 -0.986 12.096 1.00 0.00 N ATOM 0 H GLN A 58 -2.319 1.893 7.740 1.00 0.00 H new ATOM 0 HA GLN A 58 0.496 1.048 7.903 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.720 -0.659 9.043 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.010 -0.801 9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.267 1.591 10.408 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.941 1.097 10.566 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.330 -1.103 11.577 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.276 -1.560 12.918 1.00 0.00 H new ATOM 895 N ILE A 59 -0.239 -1.161 6.517 1.00 0.00 N ATOM 896 CA ILE A 59 -0.473 -2.012 5.357 1.00 0.00 C ATOM 897 C ILE A 59 -0.713 -3.459 5.776 1.00 0.00 C ATOM 898 O ILE A 59 -0.333 -3.869 6.873 1.00 0.00 O ATOM 899 CB ILE A 59 0.712 -1.965 4.375 1.00 0.00 C ATOM 900 CG1 ILE A 59 1.114 -0.515 4.097 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.356 -2.679 3.080 1.00 0.00 C ATOM 902 CD1 ILE A 59 2.332 -0.385 3.209 1.00 0.00 C ATOM 0 H ILE A 59 0.461 -1.517 7.167 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.363 -1.627 4.859 1.00 0.00 H new ATOM 0 HB ILE A 59 1.561 -2.478 4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.276 0.002 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.310 -0.013 5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.204 -2.637 2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.113 -3.720 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.505 -2.192 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.559 0.670 3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.183 -0.873 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.133 -0.858 2.247 1.00 0.00 H new ATOM 914 N ARG A 60 -1.345 -4.227 4.895 1.00 0.00 N ATOM 915 CA ARG A 60 -1.635 -5.629 5.174 1.00 0.00 C ATOM 916 C ARG A 60 -1.342 -6.498 3.954 1.00 0.00 C ATOM 917 O ARG A 60 -1.644 -6.119 2.823 1.00 0.00 O ATOM 918 CB ARG A 60 -3.097 -5.796 5.592 1.00 0.00 C ATOM 919 CG ARG A 60 -3.446 -7.206 6.040 1.00 0.00 C ATOM 920 CD ARG A 60 -4.679 -7.219 6.929 1.00 0.00 C ATOM 921 NE ARG A 60 -4.428 -6.592 8.224 1.00 0.00 N ATOM 922 CZ ARG A 60 -5.155 -6.832 9.309 1.00 0.00 C ATOM 923 NH1 ARG A 60 -6.172 -7.680 9.256 1.00 0.00 N ATOM 924 NH2 ARG A 60 -4.864 -6.222 10.452 1.00 0.00 N ATOM 0 H ARG A 60 -1.666 -3.903 3.983 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.991 -5.951 5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.315 -5.102 6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.739 -5.521 4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.620 -7.834 5.166 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.603 -7.637 6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.494 -6.698 6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.005 -8.248 7.082 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.652 -5.934 8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.398 -8.151 8.380 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.728 -7.862 10.091 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.082 -5.569 10.497 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.423 -6.407 11.285 1.00 0.00 H new ATOM 938 N TYR A 61 -0.751 -7.663 4.193 1.00 0.00 N ATOM 939 CA TYR A 61 -0.414 -8.585 3.114 1.00 0.00 C ATOM 940 C TYR A 61 -0.455 -10.030 3.600 1.00 0.00 C ATOM 941 O TYR A 61 0.203 -10.388 4.576 1.00 0.00 O ATOM 942 CB TYR A 61 0.972 -8.262 2.554 1.00 0.00 C ATOM 943 CG TYR A 61 1.483 -9.292 1.573 1.00 0.00 C ATOM 944 CD1 TYR A 61 1.102 -9.258 0.238 1.00 0.00 C ATOM 945 CD2 TYR A 61 2.349 -10.300 1.981 1.00 0.00 C ATOM 946 CE1 TYR A 61 1.566 -10.198 -0.662 1.00 0.00 C ATOM 947 CE2 TYR A 61 2.820 -11.243 1.088 1.00 0.00 C ATOM 948 CZ TYR A 61 2.425 -11.188 -0.232 1.00 0.00 C ATOM 949 OH TYR A 61 2.890 -12.125 -1.126 1.00 0.00 O ATOM 0 H TYR A 61 -0.495 -7.992 5.124 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.155 -8.466 2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.939 -7.290 2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.678 -8.178 3.380 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.431 -8.483 -0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.659 -10.347 3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.258 -10.158 -1.696 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.493 -12.019 1.422 1.00 0.00 H new ATOM 0 HH TYR A 61 3.486 -12.751 -0.664 1.00 0.00 H new ATOM 959 N SER A 62 -1.234 -10.857 2.910 1.00 0.00 N ATOM 960 CA SER A 62 -1.365 -12.264 3.271 1.00 0.00 C ATOM 961 C SER A 62 -1.825 -12.413 4.718 1.00 0.00 C ATOM 962 O SER A 62 -1.370 -13.301 5.438 1.00 0.00 O ATOM 963 CB SER A 62 -0.033 -12.990 3.071 1.00 0.00 C ATOM 964 OG SER A 62 0.813 -12.823 4.195 1.00 0.00 O ATOM 0 H SER A 62 -1.784 -10.577 2.098 1.00 0.00 H new ATOM 0 HA SER A 62 -2.116 -12.712 2.621 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.215 -14.052 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.463 -12.607 2.179 1.00 0.00 H new ATOM 0 HG SER A 62 0.989 -11.869 4.333 1.00 0.00 H new ATOM 970 N GLY A 63 -2.731 -11.535 5.138 1.00 0.00 N ATOM 971 CA GLY A 63 -3.239 -11.585 6.496 1.00 0.00 C ATOM 972 C GLY A 63 -2.173 -11.264 7.525 1.00 0.00 C ATOM 973 O GLY A 63 -2.303 -11.620 8.697 1.00 0.00 O ATOM 0 H GLY A 63 -3.122 -10.790 4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.063 -10.879 6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.643 -12.578 6.693 1.00 0.00 H new ATOM 977 N LYS A 64 -1.114 -10.591 7.088 1.00 0.00 N ATOM 978 CA LYS A 64 -0.020 -10.222 7.979 1.00 0.00 C ATOM 979 C LYS A 64 0.165 -8.709 8.015 1.00 0.00 C ATOM 980 O LYS A 64 -0.324 -7.993 7.140 1.00 0.00 O ATOM 981 CB LYS A 64 1.279 -10.895 7.530 1.00 0.00 C ATOM 982 CG LYS A 64 1.317 -12.388 7.806 1.00 0.00 C ATOM 983 CD LYS A 64 2.744 -12.907 7.871 1.00 0.00 C ATOM 984 CE LYS A 64 3.267 -13.273 6.490 1.00 0.00 C ATOM 985 NZ LYS A 64 4.683 -13.732 6.537 1.00 0.00 N ATOM 0 H LYS A 64 -0.990 -10.290 6.121 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.271 -10.564 8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.414 -10.728 6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.119 -10.419 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.809 -12.598 8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.772 -12.917 7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.388 -12.149 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.785 -13.781 8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.644 -14.059 6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.187 -12.409 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.002 -13.972 5.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.281 -12.973 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.756 -14.572 7.146 1.00 0.00 H new ATOM 999 N ILE A 65 0.875 -8.228 9.031 1.00 0.00 N ATOM 1000 CA ILE A 65 1.126 -6.800 9.178 1.00 0.00 C ATOM 1001 C ILE A 65 2.548 -6.446 8.757 1.00 0.00 C ATOM 1002 O ILE A 65 3.504 -6.679 9.498 1.00 0.00 O ATOM 1003 CB ILE A 65 0.902 -6.336 10.630 1.00 0.00 C ATOM 1004 CG1 ILE A 65 -0.529 -6.646 11.072 1.00 0.00 C ATOM 1005 CG2 ILE A 65 1.193 -4.848 10.761 1.00 0.00 C ATOM 1006 CD1 ILE A 65 -1.579 -5.870 10.309 1.00 0.00 C ATOM 0 H ILE A 65 1.286 -8.806 9.764 1.00 0.00 H new ATOM 0 HA ILE A 65 0.418 -6.286 8.527 1.00 0.00 H new ATOM 0 HB ILE A 65 1.588 -6.879 11.280 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.716 -7.713 10.948 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.628 -6.427 12.135 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.030 -4.535 11.792 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.229 -4.654 10.482 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.529 -4.288 10.103 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.569 -6.141 10.675 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.418 -4.802 10.453 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.508 -6.108 9.248 1.00 0.00 H new ATOM 1018 N LEU A 66 2.682 -5.880 7.562 1.00 0.00 N ATOM 1019 CA LEU A 66 3.988 -5.491 7.041 1.00 0.00 C ATOM 1020 C LEU A 66 4.502 -4.239 7.743 1.00 0.00 C ATOM 1021 O LEU A 66 3.736 -3.324 8.047 1.00 0.00 O ATOM 1022 CB LEU A 66 3.905 -5.248 5.533 1.00 0.00 C ATOM 1023 CG LEU A 66 3.302 -6.381 4.702 1.00 0.00 C ATOM 1024 CD1 LEU A 66 3.223 -5.984 3.236 1.00 0.00 C ATOM 1025 CD2 LEU A 66 4.117 -7.655 4.868 1.00 0.00 C ATOM 0 H LEU A 66 1.902 -5.680 6.936 1.00 0.00 H new ATOM 0 HA LEU A 66 4.687 -6.305 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.316 -4.347 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.910 -5.047 5.162 1.00 0.00 H new ATOM 0 HG LEU A 66 2.290 -6.571 5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.791 -6.803 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.597 -5.098 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.224 -5.767 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.674 -8.451 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.140 -7.478 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.122 -7.950 5.917 1.00 0.00 H new ATOM 1037 N LYS A 67 5.806 -4.202 7.996 1.00 0.00 N ATOM 1038 CA LYS A 67 6.426 -3.061 8.659 1.00 0.00 C ATOM 1039 C LYS A 67 7.041 -2.108 7.639 1.00 0.00 C ATOM 1040 O LYS A 67 7.273 -2.479 6.490 1.00 0.00 O ATOM 1041 CB LYS A 67 7.499 -3.536 9.641 1.00 0.00 C ATOM 1042 CG LYS A 67 7.685 -2.612 10.832 1.00 0.00 C ATOM 1043 CD LYS A 67 8.825 -3.075 11.724 1.00 0.00 C ATOM 1044 CE LYS A 67 8.418 -4.269 12.574 1.00 0.00 C ATOM 1045 NZ LYS A 67 7.451 -3.887 13.640 1.00 0.00 N ATOM 0 H LYS A 67 6.455 -4.950 7.751 1.00 0.00 H new ATOM 0 HA LYS A 67 5.651 -2.527 9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.236 -4.531 10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.448 -3.629 9.112 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.885 -1.600 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.762 -2.572 11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.685 -3.341 11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.138 -2.256 12.371 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.973 -5.033 11.937 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.305 -4.710 13.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.392 -4.649 14.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.771 -3.012 14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.513 -3.732 13.219 1.00 0.00 H new ATOM 1059 N ASN A 68 7.303 -0.877 8.068 1.00 0.00 N ATOM 1060 CA ASN A 68 7.892 0.129 7.192 1.00 0.00 C ATOM 1061 C ASN A 68 9.283 -0.298 6.733 1.00 0.00 C ATOM 1062 O ASN A 68 9.558 -0.366 5.535 1.00 0.00 O ATOM 1063 CB ASN A 68 7.971 1.477 7.911 1.00 0.00 C ATOM 1064 CG ASN A 68 8.329 1.331 9.377 1.00 0.00 C ATOM 1065 OD1 ASN A 68 9.495 1.155 9.728 1.00 0.00 O ATOM 1066 ND2 ASN A 68 7.323 1.404 10.241 1.00 0.00 N ATOM 0 H ASN A 68 7.117 -0.553 9.017 1.00 0.00 H new ATOM 0 HA ASN A 68 7.254 0.230 6.314 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.714 2.105 7.419 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.013 1.989 7.823 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.502 1.313 11.241 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.371 1.551 9.905 1.00 0.00 H new ATOM 1073 N ASN A 69 10.156 -0.584 7.693 1.00 0.00 N ATOM 1074 CA ASN A 69 11.519 -1.004 7.387 1.00 0.00 C ATOM 1075 C ASN A 69 11.525 -2.357 6.683 1.00 0.00 C ATOM 1076 O ASN A 69 12.572 -2.835 6.246 1.00 0.00 O ATOM 1077 CB ASN A 69 12.351 -1.079 8.668 1.00 0.00 C ATOM 1078 CG ASN A 69 12.322 0.219 9.454 1.00 0.00 C ATOM 1079 OD1 ASN A 69 11.652 0.320 10.482 1.00 0.00 O ATOM 1080 ND2 ASN A 69 13.050 1.218 8.971 1.00 0.00 N ATOM 0 H ASN A 69 9.944 -0.533 8.689 1.00 0.00 H new ATOM 0 HA ASN A 69 11.960 -0.264 6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.976 -1.888 9.295 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.382 -1.324 8.414 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.070 2.115 9.456 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.590 1.088 8.115 1.00 0.00 H new ATOM 1087 N GLU A 70 10.350 -2.969 6.576 1.00 0.00 N ATOM 1088 CA GLU A 70 10.222 -4.267 5.925 1.00 0.00 C ATOM 1089 C GLU A 70 10.255 -4.120 4.407 1.00 0.00 C ATOM 1090 O GLU A 70 9.955 -3.055 3.867 1.00 0.00 O ATOM 1091 CB GLU A 70 8.922 -4.951 6.354 1.00 0.00 C ATOM 1092 CG GLU A 70 9.004 -6.468 6.357 1.00 0.00 C ATOM 1093 CD GLU A 70 9.581 -7.018 7.647 1.00 0.00 C ATOM 1094 OE1 GLU A 70 10.750 -6.703 7.955 1.00 0.00 O ATOM 1095 OE2 GLU A 70 8.865 -7.762 8.348 1.00 0.00 O ATOM 0 H GLU A 70 9.474 -2.587 6.932 1.00 0.00 H new ATOM 0 HA GLU A 70 11.067 -4.883 6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.654 -4.608 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.120 -4.640 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.008 -6.882 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.619 -6.797 5.519 1.00 0.00 H new ATOM 1102 N THR A 71 10.624 -5.198 3.722 1.00 0.00 N ATOM 1103 CA THR A 71 10.700 -5.190 2.266 1.00 0.00 C ATOM 1104 C THR A 71 9.896 -6.338 1.668 1.00 0.00 C ATOM 1105 O THR A 71 9.614 -7.330 2.342 1.00 0.00 O ATOM 1106 CB THR A 71 12.157 -5.290 1.778 1.00 0.00 C ATOM 1107 OG1 THR A 71 13.032 -4.654 2.717 1.00 0.00 O ATOM 1108 CG2 THR A 71 12.316 -4.643 0.411 1.00 0.00 C ATOM 0 H THR A 71 10.875 -6.088 4.152 1.00 0.00 H new ATOM 0 HA THR A 71 10.278 -4.242 1.933 1.00 0.00 H new ATOM 0 HB THR A 71 12.418 -6.345 1.695 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.157 -5.237 3.494 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.354 -4.726 0.088 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.670 -5.148 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.038 -3.591 0.472 1.00 0.00 H new ATOM 1116 N LEU A 72 9.529 -6.199 0.398 1.00 0.00 N ATOM 1117 CA LEU A 72 8.758 -7.227 -0.292 1.00 0.00 C ATOM 1118 C LEU A 72 9.569 -8.510 -0.440 1.00 0.00 C ATOM 1119 O LEU A 72 9.059 -9.608 -0.217 1.00 0.00 O ATOM 1120 CB LEU A 72 8.321 -6.725 -1.670 1.00 0.00 C ATOM 1121 CG LEU A 72 7.293 -5.592 -1.677 1.00 0.00 C ATOM 1122 CD1 LEU A 72 5.981 -6.058 -1.065 1.00 0.00 C ATOM 1123 CD2 LEU A 72 7.831 -4.380 -0.931 1.00 0.00 C ATOM 0 H LEU A 72 9.753 -5.385 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 72 7.874 -7.446 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.206 -6.389 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.909 -7.566 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 72 7.105 -5.303 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.262 -5.239 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.588 -6.895 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.152 -6.374 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.087 -3.584 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.048 -4.655 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.744 -4.032 -1.413 1.00 0.00 H new ATOM 1135 N VAL A 73 10.835 -8.363 -0.815 1.00 0.00 N ATOM 1136 CA VAL A 73 11.719 -9.510 -0.990 1.00 0.00 C ATOM 1137 C VAL A 73 11.927 -10.249 0.328 1.00 0.00 C ATOM 1138 O VAL A 73 12.327 -11.412 0.341 1.00 0.00 O ATOM 1139 CB VAL A 73 13.089 -9.083 -1.548 1.00 0.00 C ATOM 1140 CG1 VAL A 73 12.959 -8.632 -2.995 1.00 0.00 C ATOM 1141 CG2 VAL A 73 13.694 -7.982 -0.690 1.00 0.00 C ATOM 0 H VAL A 73 11.272 -7.461 -1.004 1.00 0.00 H new ATOM 0 HA VAL A 73 11.236 -10.176 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 73 13.758 -9.943 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 73 13.937 -8.334 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.572 -9.453 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.275 -7.785 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 73 14.662 -7.692 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.029 -7.118 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 73 13.825 -8.345 0.329 1.00 0.00 H new ATOM 1151 N GLN A 74 11.653 -9.564 1.433 1.00 0.00 N ATOM 1152 CA GLN A 74 11.810 -10.155 2.757 1.00 0.00 C ATOM 1153 C GLN A 74 10.662 -11.110 3.067 1.00 0.00 C ATOM 1154 O GLN A 74 10.845 -12.114 3.756 1.00 0.00 O ATOM 1155 CB GLN A 74 11.881 -9.061 3.823 1.00 0.00 C ATOM 1156 CG GLN A 74 13.246 -8.401 3.928 1.00 0.00 C ATOM 1157 CD GLN A 74 13.298 -7.334 5.004 1.00 0.00 C ATOM 1158 OE1 GLN A 74 12.936 -6.181 4.770 1.00 0.00 O ATOM 1159 NE2 GLN A 74 13.749 -7.715 6.194 1.00 0.00 N ATOM 0 H GLN A 74 11.321 -8.599 1.438 1.00 0.00 H new ATOM 0 HA GLN A 74 12.742 -10.721 2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.134 -8.299 3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.619 -9.490 4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 74 13.998 -9.162 4.139 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.505 -7.956 2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 74 14.039 -8.681 6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 74 13.806 -7.041 6.958 1.00 0.00 H new ATOM 1168 N HIS A 75 9.478 -10.790 2.553 1.00 0.00 N ATOM 1169 CA HIS A 75 8.300 -11.620 2.775 1.00 0.00 C ATOM 1170 C HIS A 75 8.218 -12.737 1.738 1.00 0.00 C ATOM 1171 O HIS A 75 7.523 -13.732 1.937 1.00 0.00 O ATOM 1172 CB HIS A 75 7.032 -10.767 2.724 1.00 0.00 C ATOM 1173 CG HIS A 75 6.642 -10.193 4.051 1.00 0.00 C ATOM 1174 ND1 HIS A 75 5.753 -10.810 4.906 1.00 0.00 N ATOM 1175 CD2 HIS A 75 7.027 -9.053 4.670 1.00 0.00 C ATOM 1176 CE1 HIS A 75 5.607 -10.073 5.992 1.00 0.00 C ATOM 1177 NE2 HIS A 75 6.369 -9.001 5.874 1.00 0.00 N ATOM 0 H HIS A 75 9.310 -9.963 1.981 1.00 0.00 H new ATOM 0 HA HIS A 75 8.386 -12.072 3.763 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.180 -9.953 2.015 1.00 0.00 H new ATOM 0 HB3 HIS A 75 6.210 -11.375 2.345 1.00 0.00 H new ATOM 0 HD1 HIS A 75 5.282 -11.697 4.727 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.722 -8.320 4.288 1.00 0.00 H new ATOM 0 HE1 HIS A 75 4.972 -10.307 6.834 1.00 0.00 H new ATOM 1186 N GLY A 76 8.933 -12.562 0.631 1.00 0.00 N ATOM 1187 CA GLY A 76 8.926 -13.562 -0.421 1.00 0.00 C ATOM 1188 C GLY A 76 8.305 -13.049 -1.705 1.00 0.00 C ATOM 1189 O GLY A 76 7.309 -13.594 -2.182 1.00 0.00 O ATOM 0 H GLY A 76 9.516 -11.747 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.948 -13.884 -0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.376 -14.439 -0.080 1.00 0.00 H new ATOM 1193 N VAL A 77 8.892 -11.997 -2.266 1.00 0.00 N ATOM 1194 CA VAL A 77 8.390 -11.410 -3.502 1.00 0.00 C ATOM 1195 C VAL A 77 9.509 -11.238 -4.523 1.00 0.00 C ATOM 1196 O VAL A 77 10.538 -10.625 -4.237 1.00 0.00 O ATOM 1197 CB VAL A 77 7.729 -10.042 -3.246 1.00 0.00 C ATOM 1198 CG1 VAL A 77 7.323 -9.390 -4.559 1.00 0.00 C ATOM 1199 CG2 VAL A 77 6.529 -10.195 -2.324 1.00 0.00 C ATOM 0 H VAL A 77 9.716 -11.534 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 77 7.643 -12.098 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 77 8.455 -9.393 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.858 -8.425 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.206 -9.244 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.614 -10.033 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.074 -9.219 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.799 -10.860 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.853 -10.615 -1.372 1.00 0.00 H new ATOM 1209 N LYS A 78 9.301 -11.782 -5.717 1.00 0.00 N ATOM 1210 CA LYS A 78 10.291 -11.689 -6.784 1.00 0.00 C ATOM 1211 C LYS A 78 9.983 -10.517 -7.711 1.00 0.00 C ATOM 1212 O LYS A 78 8.863 -10.007 -7.755 1.00 0.00 O ATOM 1213 CB LYS A 78 10.330 -12.991 -7.587 1.00 0.00 C ATOM 1214 CG LYS A 78 11.278 -14.030 -7.015 1.00 0.00 C ATOM 1215 CD LYS A 78 12.730 -13.613 -7.182 1.00 0.00 C ATOM 1216 CE LYS A 78 13.673 -14.589 -6.497 1.00 0.00 C ATOM 1217 NZ LYS A 78 13.725 -15.899 -7.203 1.00 0.00 N ATOM 0 H LYS A 78 8.455 -12.292 -5.971 1.00 0.00 H new ATOM 0 HA LYS A 78 11.266 -11.522 -6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.326 -13.412 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.625 -12.767 -8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.061 -14.179 -5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.114 -14.986 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.973 -13.555 -8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.873 -12.615 -6.767 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.674 -14.159 -6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.350 -14.744 -5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.379 -16.536 -6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.775 -16.322 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.058 -15.755 -8.178 1.00 0.00 H new ATOM 1231 N PRO A 79 10.998 -10.079 -8.470 1.00 0.00 N ATOM 1232 CA PRO A 79 10.859 -8.964 -9.412 1.00 0.00 C ATOM 1233 C PRO A 79 9.987 -9.322 -10.610 1.00 0.00 C ATOM 1234 O PRO A 79 9.878 -10.490 -10.982 1.00 0.00 O ATOM 1235 CB PRO A 79 12.298 -8.695 -9.858 1.00 0.00 C ATOM 1236 CG PRO A 79 13.003 -9.993 -9.665 1.00 0.00 C ATOM 1237 CD PRO A 79 12.359 -10.640 -8.470 1.00 0.00 C ATOM 0 HA PRO A 79 10.372 -8.103 -8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 79 12.336 -8.375 -10.899 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.755 -7.904 -9.264 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.908 -10.624 -10.549 1.00 0.00 H new ATOM 0 HG3 PRO A 79 14.069 -9.837 -9.497 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.346 -11.726 -8.560 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.891 -10.403 -7.549 1.00 0.00 H new ATOM 1245 N GLN A 80 9.369 -8.310 -11.210 1.00 0.00 N ATOM 1246 CA GLN A 80 8.507 -8.520 -12.367 1.00 0.00 C ATOM 1247 C GLN A 80 7.362 -9.469 -12.028 1.00 0.00 C ATOM 1248 O GLN A 80 7.039 -10.368 -12.805 1.00 0.00 O ATOM 1249 CB GLN A 80 9.317 -9.077 -13.539 1.00 0.00 C ATOM 1250 CG GLN A 80 10.338 -8.097 -14.094 1.00 0.00 C ATOM 1251 CD GLN A 80 11.370 -8.767 -14.978 1.00 0.00 C ATOM 1252 OE1 GLN A 80 11.960 -9.781 -14.605 1.00 0.00 O ATOM 1253 NE2 GLN A 80 11.595 -8.202 -16.159 1.00 0.00 N ATOM 0 H GLN A 80 9.449 -7.337 -10.914 1.00 0.00 H new ATOM 0 HA GLN A 80 8.084 -7.557 -12.652 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.832 -9.982 -13.216 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.633 -9.367 -14.337 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.822 -7.325 -14.665 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.843 -7.597 -13.267 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.083 -7.362 -16.428 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.279 -8.609 -16.797 1.00 0.00 H new ATOM 1262 N GLU A 81 6.755 -9.264 -10.864 1.00 0.00 N ATOM 1263 CA GLU A 81 5.647 -10.103 -10.423 1.00 0.00 C ATOM 1264 C GLU A 81 4.432 -9.254 -10.060 1.00 0.00 C ATOM 1265 O GLU A 81 4.545 -8.045 -9.858 1.00 0.00 O ATOM 1266 CB GLU A 81 6.068 -10.951 -9.220 1.00 0.00 C ATOM 1267 CG GLU A 81 5.812 -10.278 -7.882 1.00 0.00 C ATOM 1268 CD GLU A 81 6.086 -11.196 -6.706 1.00 0.00 C ATOM 1269 OE1 GLU A 81 6.944 -12.093 -6.841 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.443 -11.015 -5.651 1.00 0.00 O ATOM 0 H GLU A 81 7.011 -8.525 -10.210 1.00 0.00 H new ATOM 0 HA GLU A 81 5.374 -10.763 -11.247 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.531 -11.899 -9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.130 -11.183 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.440 -9.391 -7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.776 -9.941 -7.841 1.00 0.00 H new ATOM 1277 N ILE A 82 3.271 -9.896 -9.980 1.00 0.00 N ATOM 1278 CA ILE A 82 2.036 -9.201 -9.642 1.00 0.00 C ATOM 1279 C ILE A 82 1.508 -9.648 -8.283 1.00 0.00 C ATOM 1280 O ILE A 82 1.470 -10.841 -7.981 1.00 0.00 O ATOM 1281 CB ILE A 82 0.948 -9.437 -10.706 1.00 0.00 C ATOM 1282 CG1 ILE A 82 1.471 -9.062 -12.094 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -0.302 -8.637 -10.371 1.00 0.00 C ATOM 1284 CD1 ILE A 82 2.146 -10.208 -12.814 1.00 0.00 C ATOM 0 H ILE A 82 3.160 -10.897 -10.145 1.00 0.00 H new ATOM 0 HA ILE A 82 2.272 -8.138 -9.605 1.00 0.00 H new ATOM 0 HB ILE A 82 0.688 -10.496 -10.710 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.641 -8.701 -12.701 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.178 -8.238 -11.997 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.062 -8.814 -11.132 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.683 -8.948 -9.398 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.058 -7.575 -10.342 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.492 -9.871 -13.791 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.997 -10.555 -12.228 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.436 -11.025 -12.943 1.00 0.00 H new ATOM 1296 N VAL A 83 1.099 -8.683 -7.466 1.00 0.00 N ATOM 1297 CA VAL A 83 0.570 -8.976 -6.139 1.00 0.00 C ATOM 1298 C VAL A 83 -0.600 -8.060 -5.799 1.00 0.00 C ATOM 1299 O VAL A 83 -0.958 -7.180 -6.581 1.00 0.00 O ATOM 1300 CB VAL A 83 1.656 -8.829 -5.057 1.00 0.00 C ATOM 1301 CG1 VAL A 83 2.964 -9.449 -5.523 1.00 0.00 C ATOM 1302 CG2 VAL A 83 1.850 -7.364 -4.694 1.00 0.00 C ATOM 0 H VAL A 83 1.124 -7.690 -7.700 1.00 0.00 H new ATOM 0 HA VAL A 83 0.224 -10.009 -6.157 1.00 0.00 H new ATOM 0 HB VAL A 83 1.329 -9.362 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.718 -9.335 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.812 -10.509 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.301 -8.949 -6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.621 -7.278 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.155 -6.807 -5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.913 -6.956 -4.314 1.00 0.00 H new ATOM 1312 N GLN A 84 -1.190 -8.273 -4.627 1.00 0.00 N ATOM 1313 CA GLN A 84 -2.320 -7.465 -4.183 1.00 0.00 C ATOM 1314 C GLN A 84 -2.213 -7.151 -2.695 1.00 0.00 C ATOM 1315 O GLN A 84 -2.100 -8.054 -1.865 1.00 0.00 O ATOM 1316 CB GLN A 84 -3.636 -8.191 -4.470 1.00 0.00 C ATOM 1317 CG GLN A 84 -4.865 -7.315 -4.287 1.00 0.00 C ATOM 1318 CD GLN A 84 -6.156 -8.110 -4.310 1.00 0.00 C ATOM 1319 OE1 GLN A 84 -6.213 -9.238 -3.820 1.00 0.00 O ATOM 1320 NE2 GLN A 84 -7.201 -7.524 -4.882 1.00 0.00 N ATOM 0 H GLN A 84 -0.905 -8.998 -3.968 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.303 -6.526 -4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.618 -8.569 -5.492 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.715 -9.056 -3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.788 -6.781 -3.340 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.891 -6.563 -5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.108 -6.587 -5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.096 -8.010 -4.928 1.00 0.00 H new ATOM 1329 N VAL A 85 -2.249 -5.864 -2.363 1.00 0.00 N ATOM 1330 CA VAL A 85 -2.157 -5.431 -0.974 1.00 0.00 C ATOM 1331 C VAL A 85 -3.294 -4.480 -0.619 1.00 0.00 C ATOM 1332 O VAL A 85 -3.834 -3.792 -1.484 1.00 0.00 O ATOM 1333 CB VAL A 85 -0.812 -4.734 -0.691 1.00 0.00 C ATOM 1334 CG1 VAL A 85 0.342 -5.708 -0.870 1.00 0.00 C ATOM 1335 CG2 VAL A 85 -0.642 -3.520 -1.593 1.00 0.00 C ATOM 0 H VAL A 85 -2.341 -5.104 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.230 -6.327 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.809 -4.392 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.284 -5.198 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.224 -6.543 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.347 -6.082 -1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.313 -3.039 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.665 -3.836 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.452 -2.814 -1.410 1.00 0.00 H new ATOM 1345 N GLU A 86 -3.653 -4.446 0.661 1.00 0.00 N ATOM 1346 CA GLU A 86 -4.727 -3.579 1.130 1.00 0.00 C ATOM 1347 C GLU A 86 -4.184 -2.491 2.052 1.00 0.00 C ATOM 1348 O GLU A 86 -3.226 -2.712 2.793 1.00 0.00 O ATOM 1349 CB GLU A 86 -5.791 -4.399 1.862 1.00 0.00 C ATOM 1350 CG GLU A 86 -6.682 -5.208 0.934 1.00 0.00 C ATOM 1351 CD GLU A 86 -7.204 -6.475 1.584 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -6.481 -7.493 1.568 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -8.336 -6.447 2.110 1.00 0.00 O ATOM 0 H GLU A 86 -3.216 -5.009 1.391 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.180 -3.102 0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.299 -5.076 2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.412 -3.727 2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.524 -4.593 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.123 -5.469 0.036 1.00 0.00 H new ATOM 1360 N ILE A 87 -4.803 -1.316 1.999 1.00 0.00 N ATOM 1361 CA ILE A 87 -4.383 -0.194 2.829 1.00 0.00 C ATOM 1362 C ILE A 87 -5.510 0.261 3.750 1.00 0.00 C ATOM 1363 O ILE A 87 -6.686 0.195 3.390 1.00 0.00 O ATOM 1364 CB ILE A 87 -3.923 0.999 1.972 1.00 0.00 C ATOM 1365 CG1 ILE A 87 -2.541 0.724 1.375 1.00 0.00 C ATOM 1366 CG2 ILE A 87 -3.902 2.273 2.804 1.00 0.00 C ATOM 1367 CD1 ILE A 87 -2.091 1.773 0.383 1.00 0.00 C ATOM 0 H ILE A 87 -5.597 -1.117 1.390 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.544 -0.544 3.431 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.631 1.134 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.811 0.663 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.554 -0.248 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.575 3.107 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.903 2.475 3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.213 2.150 3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.104 1.513 0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.799 1.819 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.045 2.744 0.876 1.00 0.00 H new ATOM 1379 N PHE A 88 -5.144 0.724 4.941 1.00 0.00 N ATOM 1380 CA PHE A 88 -6.124 1.192 5.914 1.00 0.00 C ATOM 1381 C PHE A 88 -5.445 1.961 7.043 1.00 0.00 C ATOM 1382 O PHE A 88 -4.229 1.882 7.219 1.00 0.00 O ATOM 1383 CB PHE A 88 -6.909 0.010 6.486 1.00 0.00 C ATOM 1384 CG PHE A 88 -6.110 -0.838 7.435 1.00 0.00 C ATOM 1385 CD1 PHE A 88 -5.765 -0.360 8.689 1.00 0.00 C ATOM 1386 CD2 PHE A 88 -5.705 -2.112 7.072 1.00 0.00 C ATOM 1387 CE1 PHE A 88 -5.029 -1.138 9.563 1.00 0.00 C ATOM 1388 CE2 PHE A 88 -4.969 -2.894 7.942 1.00 0.00 C ATOM 1389 CZ PHE A 88 -4.632 -2.407 9.190 1.00 0.00 C ATOM 0 H PHE A 88 -4.176 0.785 5.255 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.814 1.865 5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.792 0.387 7.003 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.262 -0.613 5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.074 0.631 8.987 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.967 -2.499 6.098 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.765 -0.754 10.537 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.658 -3.885 7.646 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.059 -3.017 9.873 1.00 0.00 H new ATOM 1399 N SER A 89 -6.240 2.705 7.806 1.00 0.00 N ATOM 1400 CA SER A 89 -5.716 3.492 8.916 1.00 0.00 C ATOM 1401 C SER A 89 -6.277 2.997 10.245 1.00 0.00 C ATOM 1402 O SER A 89 -7.477 2.752 10.375 1.00 0.00 O ATOM 1403 CB SER A 89 -6.057 4.972 8.725 1.00 0.00 C ATOM 1404 OG SER A 89 -5.395 5.776 9.686 1.00 0.00 O ATOM 0 H SER A 89 -7.249 2.779 7.676 1.00 0.00 H new ATOM 0 HA SER A 89 -4.632 3.375 8.933 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.770 5.288 7.722 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.135 5.114 8.808 1.00 0.00 H new ATOM 0 HG SER A 89 -5.802 6.667 9.703 1.00 0.00 H new ATOM 1410 N THR A 90 -5.399 2.850 11.233 1.00 0.00 N ATOM 1411 CA THR A 90 -5.803 2.383 12.553 1.00 0.00 C ATOM 1412 C THR A 90 -6.793 3.347 13.198 1.00 0.00 C ATOM 1413 O THR A 90 -7.758 2.927 13.833 1.00 0.00 O ATOM 1414 CB THR A 90 -4.589 2.211 13.485 1.00 0.00 C ATOM 1415 OG1 THR A 90 -3.953 3.476 13.699 1.00 0.00 O ATOM 1416 CG2 THR A 90 -3.589 1.228 12.895 1.00 0.00 C ATOM 0 H THR A 90 -4.402 3.048 11.143 1.00 0.00 H new ATOM 0 HA THR A 90 -6.282 1.414 12.412 1.00 0.00 H new ATOM 0 HB THR A 90 -4.943 1.817 14.438 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.477 3.745 12.886 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.740 1.123 13.571 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.068 0.258 12.760 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.241 1.598 11.930 1.00 0.00 H new ATOM 1424 N ASN A 91 -6.545 4.642 13.029 1.00 0.00 N ATOM 1425 CA ASN A 91 -7.415 5.666 13.595 1.00 0.00 C ATOM 1426 C ASN A 91 -8.159 6.418 12.495 1.00 0.00 C ATOM 1427 O ASN A 91 -7.766 7.508 12.080 1.00 0.00 O ATOM 1428 CB ASN A 91 -6.600 6.649 14.438 1.00 0.00 C ATOM 1429 CG ASN A 91 -6.448 6.191 15.876 1.00 0.00 C ATOM 1430 OD1 ASN A 91 -5.819 5.168 16.149 1.00 0.00 O ATOM 1431 ND2 ASN A 91 -7.025 6.947 16.802 1.00 0.00 N ATOM 0 H ASN A 91 -5.749 5.007 12.505 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.148 5.172 14.232 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.613 6.773 13.993 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.083 7.626 14.420 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.957 6.689 17.786 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.536 7.786 16.529 1.00 0.00 H new ATOM 1438 N PRO A 92 -9.259 5.822 12.011 1.00 0.00 N ATOM 1439 CA PRO A 92 -10.081 6.418 10.954 1.00 0.00 C ATOM 1440 C PRO A 92 -10.841 7.650 11.435 1.00 0.00 C ATOM 1441 O PRO A 92 -11.017 8.612 10.687 1.00 0.00 O ATOM 1442 CB PRO A 92 -11.057 5.296 10.590 1.00 0.00 C ATOM 1443 CG PRO A 92 -11.143 4.455 11.817 1.00 0.00 C ATOM 1444 CD PRO A 92 -9.785 4.522 12.460 1.00 0.00 C ATOM 0 HA PRO A 92 -9.478 6.766 10.116 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.033 5.695 10.314 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.696 4.718 9.739 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.913 4.827 12.492 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.407 3.427 11.568 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.852 4.469 13.547 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.147 3.698 12.139 1.00 0.00 H new ATOM 1452 N ASP A 93 -11.287 7.613 12.685 1.00 0.00 N ATOM 1453 CA ASP A 93 -12.026 8.728 13.266 1.00 0.00 C ATOM 1454 C ASP A 93 -11.166 9.988 13.306 1.00 0.00 C ATOM 1455 O ASP A 93 -11.662 11.097 13.101 1.00 0.00 O ATOM 1456 CB ASP A 93 -12.499 8.374 14.677 1.00 0.00 C ATOM 1457 CG ASP A 93 -13.654 7.392 14.670 1.00 0.00 C ATOM 1458 OD1 ASP A 93 -14.762 7.781 14.244 1.00 0.00 O ATOM 1459 OD2 ASP A 93 -13.450 6.234 15.090 1.00 0.00 O ATOM 0 H ASP A 93 -11.150 6.823 13.316 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.895 8.922 12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.668 7.949 15.240 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.802 9.284 15.195 1.00 0.00 H new ATOM 1464 N LEU A 94 -9.877 9.810 13.573 1.00 0.00 N ATOM 1465 CA LEU A 94 -8.948 10.933 13.641 1.00 0.00 C ATOM 1466 C LEU A 94 -8.336 11.217 12.273 1.00 0.00 C ATOM 1467 O LEU A 94 -8.375 12.347 11.787 1.00 0.00 O ATOM 1468 CB LEU A 94 -7.842 10.644 14.657 1.00 0.00 C ATOM 1469 CG LEU A 94 -8.200 10.882 16.125 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -7.138 10.287 17.036 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -8.367 12.370 16.398 1.00 0.00 C ATOM 0 H LEU A 94 -9.451 8.899 13.746 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.504 11.814 13.960 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.534 9.605 14.543 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.979 11.262 14.410 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.148 10.386 16.334 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.409 10.466 18.076 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.067 9.214 16.859 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.176 10.754 16.827 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.622 12.521 17.447 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.435 12.888 16.172 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.164 12.768 15.770 1.00 0.00 H new ATOM 1483 N TYR A 95 -7.773 10.183 11.656 1.00 0.00 N ATOM 1484 CA TYR A 95 -7.153 10.322 10.344 1.00 0.00 C ATOM 1485 C TYR A 95 -7.739 9.318 9.356 1.00 0.00 C ATOM 1486 O TYR A 95 -7.161 8.266 9.083 1.00 0.00 O ATOM 1487 CB TYR A 95 -5.639 10.126 10.449 1.00 0.00 C ATOM 1488 CG TYR A 95 -4.994 10.964 11.530 1.00 0.00 C ATOM 1489 CD1 TYR A 95 -4.953 10.523 12.847 1.00 0.00 C ATOM 1490 CD2 TYR A 95 -4.424 12.196 11.233 1.00 0.00 C ATOM 1491 CE1 TYR A 95 -4.365 11.286 13.837 1.00 0.00 C ATOM 1492 CE2 TYR A 95 -3.833 12.965 12.217 1.00 0.00 C ATOM 1493 CZ TYR A 95 -3.806 12.506 13.517 1.00 0.00 C ATOM 1494 OH TYR A 95 -3.218 13.268 14.501 1.00 0.00 O ATOM 0 H TYR A 95 -7.734 9.240 12.044 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.358 11.328 9.978 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.430 9.074 10.643 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.182 10.370 9.490 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.388 9.568 13.101 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.443 12.559 10.216 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.343 10.929 14.856 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.395 13.920 11.969 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.872 14.097 14.110 1.00 0.00 H new ATOM 1504 N PRO A 96 -8.916 9.651 8.805 1.00 0.00 N ATOM 1505 CA PRO A 96 -9.607 8.794 7.837 1.00 0.00 C ATOM 1506 C PRO A 96 -8.884 8.735 6.495 1.00 0.00 C ATOM 1507 O PRO A 96 -8.114 9.632 6.154 1.00 0.00 O ATOM 1508 CB PRO A 96 -10.973 9.467 7.679 1.00 0.00 C ATOM 1509 CG PRO A 96 -10.734 10.896 8.029 1.00 0.00 C ATOM 1510 CD PRO A 96 -9.662 10.890 9.084 1.00 0.00 C ATOM 0 HA PRO A 96 -9.663 7.759 8.176 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.349 9.366 6.661 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.715 9.017 8.338 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.418 11.464 7.154 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.645 11.364 8.401 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.022 11.769 9.012 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.086 10.886 10.088 1.00 0.00 H new ATOM 1518 N VAL A 97 -9.138 7.672 5.738 1.00 0.00 N ATOM 1519 CA VAL A 97 -8.513 7.496 4.433 1.00 0.00 C ATOM 1520 C VAL A 97 -9.436 7.965 3.314 1.00 0.00 C ATOM 1521 O VAL A 97 -10.581 7.523 3.214 1.00 0.00 O ATOM 1522 CB VAL A 97 -8.132 6.025 4.187 1.00 0.00 C ATOM 1523 CG1 VAL A 97 -7.418 5.874 2.852 1.00 0.00 C ATOM 1524 CG2 VAL A 97 -7.269 5.501 5.325 1.00 0.00 C ATOM 0 H VAL A 97 -9.772 6.920 6.007 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.608 8.103 4.431 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.046 5.432 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.156 4.827 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.074 6.208 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.511 6.478 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.009 4.460 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.358 6.096 5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.821 5.572 6.262 1.00 0.00 H new ATOM 1534 N ARG A 98 -8.931 8.861 2.473 1.00 0.00 N ATOM 1535 CA ARG A 98 -9.710 9.391 1.361 1.00 0.00 C ATOM 1536 C ARG A 98 -9.131 8.935 0.025 1.00 0.00 C ATOM 1537 O ARG A 98 -8.082 8.290 -0.021 1.00 0.00 O ATOM 1538 CB ARG A 98 -9.748 10.919 1.418 1.00 0.00 C ATOM 1539 CG ARG A 98 -10.666 11.466 2.498 1.00 0.00 C ATOM 1540 CD ARG A 98 -12.115 11.488 2.039 1.00 0.00 C ATOM 1541 NE ARG A 98 -12.392 12.615 1.154 1.00 0.00 N ATOM 1542 CZ ARG A 98 -13.539 12.774 0.502 1.00 0.00 C ATOM 1543 NH1 ARG A 98 -14.511 11.882 0.637 1.00 0.00 N ATOM 1544 NH2 ARG A 98 -13.716 13.827 -0.286 1.00 0.00 N ATOM 0 H ARG A 98 -7.985 9.236 2.541 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.726 9.006 1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.738 11.293 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.071 11.302 0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.577 10.855 3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.353 12.475 2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.346 10.556 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.770 11.541 2.909 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.665 13.320 1.029 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.379 11.072 1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -15.390 12.006 0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.971 14.516 -0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.597 13.948 -0.786 1.00 0.00 H new ATOM 1558 N ARG A 99 -9.820 9.273 -1.060 1.00 0.00 N ATOM 1559 CA ARG A 99 -9.374 8.897 -2.396 1.00 0.00 C ATOM 1560 C ARG A 99 -8.223 9.786 -2.856 1.00 0.00 C ATOM 1561 O ARG A 99 -8.083 10.922 -2.401 1.00 0.00 O ATOM 1562 CB ARG A 99 -10.534 8.992 -3.389 1.00 0.00 C ATOM 1563 CG ARG A 99 -11.460 7.787 -3.361 1.00 0.00 C ATOM 1564 CD ARG A 99 -12.879 8.165 -3.757 1.00 0.00 C ATOM 1565 NE ARG A 99 -13.520 9.009 -2.752 1.00 0.00 N ATOM 1566 CZ ARG A 99 -14.785 9.409 -2.827 1.00 0.00 C ATOM 1567 NH1 ARG A 99 -15.540 9.044 -3.854 1.00 0.00 N ATOM 1568 NH2 ARG A 99 -15.297 10.176 -1.873 1.00 0.00 N ATOM 0 H ARG A 99 -10.689 9.806 -1.040 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.021 7.867 -2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.113 9.890 -3.173 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -10.131 9.107 -4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.083 7.022 -4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.464 7.353 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.862 8.689 -4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.469 7.260 -3.900 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.967 9.308 -1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -15.150 8.454 -4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -16.511 9.353 -3.909 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.719 10.459 -1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.268 10.483 -1.931 1.00 0.00 H new