USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 365 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 305 SER OG : rot 150:sc= 0 USER MOD Set 1.2: A 307 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Set 2.1: A 268 HIS : no HE2:sc= 0.299 K(o=-0.95,f=-2.5!) USER MOD Set 2.2: A 276 GLN : amide:sc= -1.25! K(o=-0.95!,f=0.28) USER MOD Single : A 267 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 GLN : amide:sc= -1.75 K(o=-1.7,f=-0.49) USER MOD Single : A 274 LYS NZ :NH3+ -166:sc=-0.00453 (180deg=-0.205) USER MOD Single : A 279 ASN : amide:sc= -1 K(o=-1,f=-3.1!) USER MOD Single : A 280 LYS NZ :NH3+ -103:sc= -1.89 (180deg=-4.49!) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 285 SER OG : rot 41:sc= 0.0557 USER MOD Single : A 286 ASN : amide:sc= -3.12! K(o=-3.1!,f=-0.85) USER MOD Single : A 288 GLN : amide:sc= -3.08! K(o=-3.1!,f=-0.43) USER MOD Single : A 289 SER OG : rot 180:sc= 0 USER MOD Single : A 290 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 CYS SG : rot 180:sc= 0.00113 USER MOD Single : A 293 SER OG : rot 180:sc= -0.746 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 299 HIS : no HE2:sc= -12.7! C(o=-13!,f=-17!) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ -152:sc= -0.15 (180deg=-0.762) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 25.318 3.489 -9.841 1.00 0.00 N ATOM 2 CA LYS A 267 24.115 3.382 -10.659 1.00 0.00 C ATOM 3 C LYS A 267 24.477 3.113 -12.115 1.00 0.00 C ATOM 4 O LYS A 267 23.695 2.523 -12.860 1.00 0.00 O ATOM 5 CB LYS A 267 23.303 4.676 -10.564 1.00 0.00 C ATOM 6 CG LYS A 267 21.979 4.503 -11.311 1.00 0.00 C ATOM 7 CD LYS A 267 21.198 5.818 -11.278 1.00 0.00 C ATOM 8 CE LYS A 267 19.810 5.603 -11.886 1.00 0.00 C ATOM 9 NZ LYS A 267 19.263 6.909 -12.349 1.00 0.00 N ATOM 0 HA LYS A 267 23.519 2.549 -10.286 1.00 0.00 H new ATOM 0 HB2 LYS A 267 23.114 4.923 -9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 267 23.868 5.505 -10.991 1.00 0.00 H new ATOM 0 HG2 LYS A 267 22.168 4.206 -12.343 1.00 0.00 H new ATOM 0 HG3 LYS A 267 21.392 3.708 -10.852 1.00 0.00 H new ATOM 0 HD2 LYS A 267 21.106 6.173 -10.252 1.00 0.00 H new ATOM 0 HD3 LYS A 267 21.735 6.586 -11.834 1.00 0.00 H new ATOM 0 HE2 LYS A 267 19.871 4.906 -12.721 1.00 0.00 H new ATOM 0 HE3 LYS A 267 19.143 5.158 -11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 18.320 6.763 -12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 19.191 7.561 -11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 19.896 7.316 -13.067 1.00 0.00 H new ATOM 23 N HIS A 268 25.668 3.552 -12.516 1.00 0.00 N ATOM 24 CA HIS A 268 26.127 3.355 -13.889 1.00 0.00 C ATOM 25 C HIS A 268 27.278 2.355 -13.935 1.00 0.00 C ATOM 26 O HIS A 268 27.944 2.111 -12.929 1.00 0.00 O ATOM 27 CB HIS A 268 26.584 4.690 -14.479 1.00 0.00 C ATOM 28 CG HIS A 268 27.719 5.238 -13.659 1.00 0.00 C ATOM 29 ND1 HIS A 268 27.518 5.826 -12.420 1.00 0.00 N ATOM 30 CD2 HIS A 268 29.072 5.294 -13.886 1.00 0.00 C ATOM 31 CE1 HIS A 268 28.720 6.209 -11.953 1.00 0.00 C ATOM 32 NE2 HIS A 268 29.702 5.907 -12.807 1.00 0.00 N ATOM 0 H HIS A 268 26.329 4.043 -11.914 1.00 0.00 H new ATOM 0 HA HIS A 268 25.298 2.960 -14.476 1.00 0.00 H new ATOM 0 HB2 HIS A 268 26.901 4.553 -15.513 1.00 0.00 H new ATOM 0 HB3 HIS A 268 25.755 5.398 -14.491 1.00 0.00 H new ATOM 0 HD1 HIS A 268 26.622 5.946 -11.948 1.00 0.00 H new ATOM 0 HD2 HIS A 268 29.571 4.919 -14.767 1.00 0.00 H new ATOM 0 HE1 HIS A 268 28.873 6.701 -11.004 1.00 0.00 H new ATOM 41 N GLN A 269 27.504 1.781 -15.112 1.00 0.00 N ATOM 42 CA GLN A 269 28.575 0.807 -15.290 1.00 0.00 C ATOM 43 C GLN A 269 29.908 1.534 -15.516 1.00 0.00 C ATOM 44 O GLN A 269 29.954 2.532 -16.233 1.00 0.00 O ATOM 45 CB GLN A 269 28.225 -0.105 -16.484 1.00 0.00 C ATOM 46 CG GLN A 269 29.488 -0.601 -17.202 1.00 0.00 C ATOM 47 CD GLN A 269 29.190 -1.909 -17.926 1.00 0.00 C ATOM 48 OE1 GLN A 269 29.126 -1.940 -19.156 1.00 0.00 O ATOM 49 NE2 GLN A 269 29.004 -2.998 -17.232 1.00 0.00 N ATOM 0 H GLN A 269 26.962 1.973 -15.954 1.00 0.00 H new ATOM 0 HA GLN A 269 28.679 0.192 -14.396 1.00 0.00 H new ATOM 0 HB2 GLN A 269 27.645 -0.959 -16.133 1.00 0.00 H new ATOM 0 HB3 GLN A 269 27.596 0.440 -17.187 1.00 0.00 H new ATOM 0 HG2 GLN A 269 29.831 0.150 -17.914 1.00 0.00 H new ATOM 0 HG3 GLN A 269 30.293 -0.748 -16.482 1.00 0.00 H new ATOM 0 HE21 GLN A 269 29.058 -2.969 -16.214 1.00 0.00 H new ATOM 0 HE22 GLN A 269 28.805 -3.878 -17.708 1.00 0.00 H new ATOM 58 N PRO A 270 30.986 1.067 -14.920 1.00 0.00 N ATOM 59 CA PRO A 270 32.310 1.749 -15.102 1.00 0.00 C ATOM 60 C PRO A 270 32.746 1.786 -16.565 1.00 0.00 C ATOM 61 O PRO A 270 33.503 2.665 -16.973 1.00 0.00 O ATOM 62 CB PRO A 270 33.292 0.919 -14.256 1.00 0.00 C ATOM 63 CG PRO A 270 32.603 -0.376 -14.004 1.00 0.00 C ATOM 64 CD PRO A 270 31.115 -0.058 -13.970 1.00 0.00 C ATOM 0 HA PRO A 270 32.266 2.793 -14.793 1.00 0.00 H new ATOM 0 HB2 PRO A 270 34.233 0.767 -14.784 1.00 0.00 H new ATOM 0 HB3 PRO A 270 33.530 1.426 -13.321 1.00 0.00 H new ATOM 0 HG2 PRO A 270 32.830 -1.098 -14.788 1.00 0.00 H new ATOM 0 HG3 PRO A 270 32.930 -0.815 -13.062 1.00 0.00 H new ATOM 0 HD2 PRO A 270 30.514 -0.914 -14.276 1.00 0.00 H new ATOM 0 HD3 PRO A 270 30.786 0.221 -12.969 1.00 0.00 H new ATOM 72 N GLY A 271 32.262 0.829 -17.348 1.00 0.00 N ATOM 73 CA GLY A 271 32.610 0.767 -18.763 1.00 0.00 C ATOM 74 C GLY A 271 34.107 0.976 -18.963 1.00 0.00 C ATOM 75 O GLY A 271 34.876 0.017 -19.024 1.00 0.00 O ATOM 0 H GLY A 271 31.633 0.091 -17.031 1.00 0.00 H new ATOM 0 HA2 GLY A 271 32.315 -0.199 -19.172 1.00 0.00 H new ATOM 0 HA3 GLY A 271 32.056 1.528 -19.312 1.00 0.00 H new ATOM 79 N GLY A 272 34.512 2.238 -19.062 1.00 0.00 N ATOM 80 CA GLY A 272 35.920 2.568 -19.254 1.00 0.00 C ATOM 81 C GLY A 272 36.782 1.961 -18.153 1.00 0.00 C ATOM 82 O GLY A 272 37.931 1.586 -18.385 1.00 0.00 O ATOM 0 H GLY A 272 33.890 3.045 -19.013 1.00 0.00 H new ATOM 0 HA2 GLY A 272 36.253 2.201 -20.225 1.00 0.00 H new ATOM 0 HA3 GLY A 272 36.045 3.651 -19.262 1.00 0.00 H new ATOM 86 N GLY A 273 36.220 1.867 -16.950 1.00 0.00 N ATOM 87 CA GLY A 273 36.946 1.304 -15.814 1.00 0.00 C ATOM 88 C GLY A 273 37.123 2.342 -14.710 1.00 0.00 C ATOM 89 O GLY A 273 38.208 2.895 -14.532 1.00 0.00 O ATOM 0 H GLY A 273 35.270 2.171 -16.737 1.00 0.00 H new ATOM 0 HA2 GLY A 273 36.406 0.441 -15.424 1.00 0.00 H new ATOM 0 HA3 GLY A 273 37.922 0.947 -16.142 1.00 0.00 H new ATOM 93 N LYS A 274 36.048 2.598 -13.969 1.00 0.00 N ATOM 94 CA LYS A 274 36.092 3.569 -12.881 1.00 0.00 C ATOM 95 C LYS A 274 36.476 2.885 -11.571 1.00 0.00 C ATOM 96 O LYS A 274 36.270 3.434 -10.489 1.00 0.00 O ATOM 97 CB LYS A 274 34.733 4.252 -12.728 1.00 0.00 C ATOM 98 CG LYS A 274 34.405 5.033 -14.003 1.00 0.00 C ATOM 99 CD LYS A 274 33.099 5.806 -13.809 1.00 0.00 C ATOM 100 CE LYS A 274 32.701 6.477 -15.125 1.00 0.00 C ATOM 101 NZ LYS A 274 33.692 7.538 -15.463 1.00 0.00 N ATOM 0 H LYS A 274 35.142 2.149 -14.101 1.00 0.00 H new ATOM 0 HA LYS A 274 36.844 4.320 -13.120 1.00 0.00 H new ATOM 0 HB2 LYS A 274 33.960 3.508 -12.536 1.00 0.00 H new ATOM 0 HB3 LYS A 274 34.747 4.925 -11.871 1.00 0.00 H new ATOM 0 HG2 LYS A 274 35.216 5.722 -14.238 1.00 0.00 H new ATOM 0 HG3 LYS A 274 34.313 4.349 -14.847 1.00 0.00 H new ATOM 0 HD2 LYS A 274 32.310 5.130 -13.480 1.00 0.00 H new ATOM 0 HD3 LYS A 274 33.221 6.557 -13.028 1.00 0.00 H new ATOM 0 HE2 LYS A 274 32.658 5.737 -15.924 1.00 0.00 H new ATOM 0 HE3 LYS A 274 31.705 6.910 -15.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 33.307 8.146 -16.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 33.888 8.112 -14.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 34.574 7.097 -15.794 1.00 0.00 H new ATOM 115 N VAL A 275 37.030 1.680 -11.682 1.00 0.00 N ATOM 116 CA VAL A 275 37.443 0.915 -10.508 1.00 0.00 C ATOM 117 C VAL A 275 36.227 0.365 -9.765 1.00 0.00 C ATOM 118 O VAL A 275 36.362 -0.268 -8.718 1.00 0.00 O ATOM 119 CB VAL A 275 38.271 1.790 -9.561 1.00 0.00 C ATOM 120 CG1 VAL A 275 39.113 0.894 -8.650 1.00 0.00 C ATOM 121 CG2 VAL A 275 39.195 2.705 -10.378 1.00 0.00 C ATOM 0 H VAL A 275 37.203 1.213 -12.572 1.00 0.00 H new ATOM 0 HA VAL A 275 38.055 0.080 -10.850 1.00 0.00 H new ATOM 0 HB VAL A 275 37.603 2.402 -8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 275 39.703 1.514 -7.975 1.00 0.00 H new ATOM 0 HG12 VAL A 275 38.456 0.247 -8.068 1.00 0.00 H new ATOM 0 HG13 VAL A 275 39.780 0.282 -9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 275 39.783 3.326 -9.702 1.00 0.00 H new ATOM 0 HG22 VAL A 275 39.865 2.097 -10.986 1.00 0.00 H new ATOM 0 HG23 VAL A 275 38.595 3.343 -11.027 1.00 0.00 H new ATOM 131 N GLN A 276 35.044 0.602 -10.319 1.00 0.00 N ATOM 132 CA GLN A 276 33.814 0.116 -9.705 1.00 0.00 C ATOM 133 C GLN A 276 33.674 -1.390 -9.910 1.00 0.00 C ATOM 134 O GLN A 276 32.566 -1.910 -10.035 1.00 0.00 O ATOM 135 CB GLN A 276 32.602 0.839 -10.293 1.00 0.00 C ATOM 136 CG GLN A 276 32.689 2.329 -9.960 1.00 0.00 C ATOM 137 CD GLN A 276 31.439 3.048 -10.451 1.00 0.00 C ATOM 138 OE1 GLN A 276 31.298 4.255 -10.254 1.00 0.00 O ATOM 139 NE2 GLN A 276 30.516 2.374 -11.081 1.00 0.00 N ATOM 0 H GLN A 276 34.910 1.123 -11.185 1.00 0.00 H new ATOM 0 HA GLN A 276 33.861 0.321 -8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 276 32.569 0.698 -11.373 1.00 0.00 H new ATOM 0 HB3 GLN A 276 31.682 0.418 -9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 276 32.796 2.464 -8.884 1.00 0.00 H new ATOM 0 HG3 GLN A 276 33.574 2.763 -10.425 1.00 0.00 H new ATOM 0 HE21 GLN A 276 30.636 1.374 -11.243 1.00 0.00 H new ATOM 0 HE22 GLN A 276 29.675 2.847 -11.412 1.00 0.00 H new ATOM 148 N ILE A 277 34.812 -2.082 -9.944 1.00 0.00 N ATOM 149 CA ILE A 277 34.825 -3.532 -10.136 1.00 0.00 C ATOM 150 C ILE A 277 33.840 -4.233 -9.199 1.00 0.00 C ATOM 151 O ILE A 277 33.700 -5.456 -9.239 1.00 0.00 O ATOM 152 CB ILE A 277 36.241 -4.072 -9.905 1.00 0.00 C ATOM 153 CG1 ILE A 277 36.612 -3.958 -8.422 1.00 0.00 C ATOM 154 CG2 ILE A 277 37.236 -3.263 -10.739 1.00 0.00 C ATOM 155 CD1 ILE A 277 38.028 -4.496 -8.208 1.00 0.00 C ATOM 0 H ILE A 277 35.736 -1.663 -9.841 1.00 0.00 H new ATOM 0 HA ILE A 277 34.515 -3.739 -11.160 1.00 0.00 H new ATOM 0 HB ILE A 277 36.275 -5.120 -10.203 1.00 0.00 H new ATOM 0 HG12 ILE A 277 36.554 -2.918 -8.101 1.00 0.00 H new ATOM 0 HG13 ILE A 277 35.902 -4.519 -7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 277 38.243 -3.646 -10.576 1.00 0.00 H new ATOM 0 HG22 ILE A 277 36.981 -3.351 -11.795 1.00 0.00 H new ATOM 0 HG23 ILE A 277 37.193 -2.215 -10.441 1.00 0.00 H new ATOM 0 HD11 ILE A 277 38.292 -4.415 -7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 277 38.070 -5.541 -8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 277 38.732 -3.915 -8.804 1.00 0.00 H new ATOM 167 N ILE A 278 33.164 -3.456 -8.358 1.00 0.00 N ATOM 168 CA ILE A 278 32.196 -4.010 -7.416 1.00 0.00 C ATOM 169 C ILE A 278 31.314 -5.058 -8.096 1.00 0.00 C ATOM 170 O ILE A 278 30.592 -5.788 -7.420 1.00 0.00 O ATOM 171 CB ILE A 278 31.314 -2.885 -6.869 1.00 0.00 C ATOM 172 CG1 ILE A 278 32.194 -1.723 -6.398 1.00 0.00 C ATOM 173 CG2 ILE A 278 30.489 -3.409 -5.693 1.00 0.00 C ATOM 174 CD1 ILE A 278 33.335 -2.257 -5.529 1.00 0.00 C ATOM 0 H ILE A 278 33.268 -2.443 -8.309 1.00 0.00 H new ATOM 0 HA ILE A 278 32.741 -4.487 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 278 30.645 -2.536 -7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 278 32.599 -1.189 -7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 278 31.597 -1.009 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 278 29.861 -2.608 -5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 278 29.859 -4.233 -6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 278 31.158 -3.760 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 278 33.958 -1.427 -5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 278 32.922 -2.771 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 278 33.939 -2.954 -6.110 1.00 0.00 H new ATOM 186 N ASN A 279 31.388 -5.110 -9.430 1.00 0.00 N ATOM 187 CA ASN A 279 30.609 -6.057 -10.241 1.00 0.00 C ATOM 188 C ASN A 279 29.400 -5.363 -10.860 1.00 0.00 C ATOM 189 O ASN A 279 28.375 -5.991 -11.125 1.00 0.00 O ATOM 190 CB ASN A 279 30.138 -7.255 -9.411 1.00 0.00 C ATOM 191 CG ASN A 279 29.731 -8.398 -10.336 1.00 0.00 C ATOM 192 OD1 ASN A 279 28.546 -8.703 -10.463 1.00 0.00 O ATOM 193 ND2 ASN A 279 30.650 -9.050 -10.995 1.00 0.00 N ATOM 0 H ASN A 279 31.990 -4.497 -9.980 1.00 0.00 H new ATOM 0 HA ASN A 279 31.265 -6.421 -11.032 1.00 0.00 H new ATOM 0 HB2 ASN A 279 30.935 -7.582 -8.743 1.00 0.00 H new ATOM 0 HB3 ASN A 279 29.295 -6.965 -8.784 1.00 0.00 H new ATOM 0 HD21 ASN A 279 30.386 -9.814 -11.617 1.00 0.00 H new ATOM 0 HD22 ASN A 279 31.632 -8.795 -10.888 1.00 0.00 H new ATOM 200 N LYS A 280 29.537 -4.063 -11.097 1.00 0.00 N ATOM 201 CA LYS A 280 28.464 -3.281 -11.700 1.00 0.00 C ATOM 202 C LYS A 280 28.071 -3.873 -13.051 1.00 0.00 C ATOM 203 O LYS A 280 27.052 -3.498 -13.630 1.00 0.00 O ATOM 204 CB LYS A 280 28.910 -1.818 -11.866 1.00 0.00 C ATOM 205 CG LYS A 280 28.358 -0.966 -10.714 1.00 0.00 C ATOM 206 CD LYS A 280 29.001 -1.403 -9.393 1.00 0.00 C ATOM 207 CE LYS A 280 28.039 -1.121 -8.237 1.00 0.00 C ATOM 208 NZ LYS A 280 28.815 -0.936 -6.978 1.00 0.00 N ATOM 0 H LYS A 280 30.379 -3.529 -10.881 1.00 0.00 H new ATOM 0 HA LYS A 280 27.594 -3.311 -11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 280 29.998 -1.761 -11.882 1.00 0.00 H new ATOM 0 HB3 LYS A 280 28.556 -1.427 -12.820 1.00 0.00 H new ATOM 0 HG2 LYS A 280 28.564 0.088 -10.898 1.00 0.00 H new ATOM 0 HG3 LYS A 280 27.275 -1.074 -10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 280 29.242 -2.465 -9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 280 29.938 -0.868 -9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 280 27.451 -0.228 -8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 280 27.336 -1.946 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 28.745 -1.796 -6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 29.813 -0.754 -7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 28.429 -0.129 -6.448 1.00 0.00 H new ATOM 222 N LYS A 281 28.889 -4.792 -13.551 1.00 0.00 N ATOM 223 CA LYS A 281 28.617 -5.417 -14.838 1.00 0.00 C ATOM 224 C LYS A 281 27.167 -5.888 -14.894 1.00 0.00 C ATOM 225 O LYS A 281 26.552 -5.902 -15.960 1.00 0.00 O ATOM 226 CB LYS A 281 29.550 -6.614 -15.046 1.00 0.00 C ATOM 227 CG LYS A 281 31.010 -6.175 -14.893 1.00 0.00 C ATOM 228 CD LYS A 281 31.388 -5.205 -16.015 1.00 0.00 C ATOM 229 CE LYS A 281 32.912 -5.101 -16.101 1.00 0.00 C ATOM 230 NZ LYS A 281 33.284 -3.995 -17.029 1.00 0.00 N ATOM 0 H LYS A 281 29.738 -5.118 -13.089 1.00 0.00 H new ATOM 0 HA LYS A 281 28.788 -4.684 -15.626 1.00 0.00 H new ATOM 0 HB2 LYS A 281 29.319 -7.395 -14.322 1.00 0.00 H new ATOM 0 HB3 LYS A 281 29.392 -7.041 -16.037 1.00 0.00 H new ATOM 0 HG2 LYS A 281 31.154 -5.697 -13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 281 31.664 -7.046 -14.919 1.00 0.00 H new ATOM 0 HD2 LYS A 281 30.982 -5.553 -16.965 1.00 0.00 H new ATOM 0 HD3 LYS A 281 30.955 -4.223 -15.824 1.00 0.00 H new ATOM 0 HE2 LYS A 281 33.331 -4.916 -15.112 1.00 0.00 H new ATOM 0 HE3 LYS A 281 33.332 -6.043 -16.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 34.320 -3.924 -17.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 32.896 -4.190 -17.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 32.895 -3.098 -16.674 1.00 0.00 H new ATOM 244 N LEU A 282 26.623 -6.260 -13.740 1.00 0.00 N ATOM 245 CA LEU A 282 25.238 -6.712 -13.677 1.00 0.00 C ATOM 246 C LEU A 282 24.302 -5.586 -14.098 1.00 0.00 C ATOM 247 O LEU A 282 23.221 -5.827 -14.634 1.00 0.00 O ATOM 248 CB LEU A 282 24.894 -7.160 -12.254 1.00 0.00 C ATOM 249 CG LEU A 282 25.864 -8.256 -11.807 1.00 0.00 C ATOM 250 CD1 LEU A 282 25.472 -8.743 -10.410 1.00 0.00 C ATOM 251 CD2 LEU A 282 25.800 -9.429 -12.789 1.00 0.00 C ATOM 0 H LEU A 282 27.113 -6.258 -12.845 1.00 0.00 H new ATOM 0 HA LEU A 282 25.115 -7.555 -14.357 1.00 0.00 H new ATOM 0 HB2 LEU A 282 24.950 -6.311 -11.572 1.00 0.00 H new ATOM 0 HB3 LEU A 282 23.870 -7.531 -12.217 1.00 0.00 H new ATOM 0 HG LEU A 282 26.878 -7.856 -11.785 1.00 0.00 H new ATOM 0 HD11 LEU A 282 26.162 -9.524 -10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 282 25.516 -7.910 -9.709 1.00 0.00 H new ATOM 0 HD13 LEU A 282 24.458 -9.143 -10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 282 26.491 -10.209 -12.470 1.00 0.00 H new ATOM 0 HD22 LEU A 282 24.786 -9.829 -12.812 1.00 0.00 H new ATOM 0 HD23 LEU A 282 26.077 -9.085 -13.786 1.00 0.00 H new ATOM 263 N ASP A 283 24.731 -4.353 -13.847 1.00 0.00 N ATOM 264 CA ASP A 283 23.934 -3.184 -14.197 1.00 0.00 C ATOM 265 C ASP A 283 24.082 -2.854 -15.679 1.00 0.00 C ATOM 266 O ASP A 283 25.117 -3.131 -16.286 1.00 0.00 O ATOM 267 CB ASP A 283 24.377 -1.982 -13.360 1.00 0.00 C ATOM 268 CG ASP A 283 24.032 -2.216 -11.893 1.00 0.00 C ATOM 269 OD1 ASP A 283 23.281 -3.138 -11.621 1.00 0.00 O ATOM 270 OD2 ASP A 283 24.524 -1.468 -11.064 1.00 0.00 O ATOM 0 H ASP A 283 25.624 -4.138 -13.404 1.00 0.00 H new ATOM 0 HA ASP A 283 22.887 -3.408 -13.990 1.00 0.00 H new ATOM 0 HB2 ASP A 283 25.450 -1.827 -13.470 1.00 0.00 H new ATOM 0 HB3 ASP A 283 23.886 -1.077 -13.718 1.00 0.00 H new ATOM 275 N LEU A 284 23.043 -2.256 -16.254 1.00 0.00 N ATOM 276 CA LEU A 284 23.062 -1.884 -17.656 1.00 0.00 C ATOM 277 C LEU A 284 23.424 -0.425 -17.803 1.00 0.00 C ATOM 278 O LEU A 284 23.298 0.354 -16.858 1.00 0.00 O ATOM 279 CB LEU A 284 21.692 -2.105 -18.283 1.00 0.00 C ATOM 280 CG LEU A 284 21.261 -3.550 -18.088 1.00 0.00 C ATOM 281 CD1 LEU A 284 19.883 -3.739 -18.720 1.00 0.00 C ATOM 282 CD2 LEU A 284 22.274 -4.469 -18.773 1.00 0.00 C ATOM 0 H LEU A 284 22.179 -2.020 -15.766 1.00 0.00 H new ATOM 0 HA LEU A 284 23.803 -2.505 -18.159 1.00 0.00 H new ATOM 0 HB2 LEU A 284 20.962 -1.434 -17.829 1.00 0.00 H new ATOM 0 HB3 LEU A 284 21.726 -1.867 -19.346 1.00 0.00 H new ATOM 0 HG LEU A 284 21.214 -3.792 -17.026 1.00 0.00 H new ATOM 0 HD11 LEU A 284 19.561 -4.772 -18.588 1.00 0.00 H new ATOM 0 HD12 LEU A 284 19.168 -3.071 -18.240 1.00 0.00 H new ATOM 0 HD13 LEU A 284 19.936 -3.509 -19.784 1.00 0.00 H new ATOM 0 HD21 LEU A 284 21.972 -5.508 -18.638 1.00 0.00 H new ATOM 0 HD22 LEU A 284 22.313 -4.238 -19.838 1.00 0.00 H new ATOM 0 HD23 LEU A 284 23.259 -4.317 -18.332 1.00 0.00 H new ATOM 294 N SER A 285 23.847 -0.046 -18.995 1.00 0.00 N ATOM 295 CA SER A 285 24.183 1.337 -19.239 1.00 0.00 C ATOM 296 C SER A 285 23.020 2.206 -18.784 1.00 0.00 C ATOM 297 O SER A 285 22.045 1.707 -18.220 1.00 0.00 O ATOM 298 CB SER A 285 24.454 1.565 -20.727 1.00 0.00 C ATOM 299 OG SER A 285 24.927 2.890 -20.920 1.00 0.00 O ATOM 0 H SER A 285 23.964 -0.668 -19.795 1.00 0.00 H new ATOM 0 HA SER A 285 25.084 1.598 -18.684 1.00 0.00 H new ATOM 0 HB2 SER A 285 25.191 0.847 -21.088 1.00 0.00 H new ATOM 0 HB3 SER A 285 23.543 1.404 -21.303 1.00 0.00 H new ATOM 0 HG SER A 285 25.555 3.121 -20.204 1.00 0.00 H new ATOM 305 N ASN A 286 23.125 3.496 -19.022 1.00 0.00 N ATOM 306 CA ASN A 286 22.072 4.421 -18.624 1.00 0.00 C ATOM 307 C ASN A 286 20.697 3.859 -18.976 1.00 0.00 C ATOM 308 O ASN A 286 19.675 4.367 -18.517 1.00 0.00 O ATOM 309 CB ASN A 286 22.270 5.769 -19.322 1.00 0.00 C ATOM 310 CG ASN A 286 21.345 6.813 -18.707 1.00 0.00 C ATOM 311 OD1 ASN A 286 21.252 7.934 -19.208 1.00 0.00 O ATOM 312 ND2 ASN A 286 20.652 6.511 -17.643 1.00 0.00 N ATOM 0 H ASN A 286 23.922 3.931 -19.486 1.00 0.00 H new ATOM 0 HA ASN A 286 22.127 4.559 -17.544 1.00 0.00 H new ATOM 0 HB2 ASN A 286 23.308 6.089 -19.227 1.00 0.00 H new ATOM 0 HB3 ASN A 286 22.064 5.670 -20.388 1.00 0.00 H new ATOM 0 HD21 ASN A 286 20.032 7.204 -17.225 1.00 0.00 H new ATOM 0 HD22 ASN A 286 20.731 5.582 -17.230 1.00 0.00 H new ATOM 319 N VAL A 287 20.677 2.804 -19.788 1.00 0.00 N ATOM 320 CA VAL A 287 19.417 2.187 -20.182 1.00 0.00 C ATOM 321 C VAL A 287 18.684 1.655 -18.956 1.00 0.00 C ATOM 322 O VAL A 287 17.456 1.561 -18.944 1.00 0.00 O ATOM 323 CB VAL A 287 19.675 1.046 -21.168 1.00 0.00 C ATOM 324 CG1 VAL A 287 20.241 -0.159 -20.418 1.00 0.00 C ATOM 325 CG2 VAL A 287 18.360 0.654 -21.848 1.00 0.00 C ATOM 0 H VAL A 287 21.509 2.364 -20.181 1.00 0.00 H new ATOM 0 HA VAL A 287 18.796 2.941 -20.665 1.00 0.00 H new ATOM 0 HB VAL A 287 20.392 1.372 -21.922 1.00 0.00 H new ATOM 0 HG11 VAL A 287 20.425 -0.972 -21.121 1.00 0.00 H new ATOM 0 HG12 VAL A 287 21.177 0.120 -19.934 1.00 0.00 H new ATOM 0 HG13 VAL A 287 19.526 -0.487 -19.663 1.00 0.00 H new ATOM 0 HG21 VAL A 287 18.542 -0.159 -22.551 1.00 0.00 H new ATOM 0 HG22 VAL A 287 17.644 0.328 -21.094 1.00 0.00 H new ATOM 0 HG23 VAL A 287 17.957 1.513 -22.384 1.00 0.00 H new ATOM 335 N GLN A 288 19.450 1.305 -17.928 1.00 0.00 N ATOM 336 CA GLN A 288 18.872 0.780 -16.698 1.00 0.00 C ATOM 337 C GLN A 288 17.810 1.728 -16.158 1.00 0.00 C ATOM 338 O GLN A 288 16.854 1.298 -15.516 1.00 0.00 O ATOM 339 CB GLN A 288 19.964 0.578 -15.647 1.00 0.00 C ATOM 340 CG GLN A 288 19.381 -0.176 -14.451 1.00 0.00 C ATOM 341 CD GLN A 288 20.468 -0.419 -13.412 1.00 0.00 C ATOM 342 OE1 GLN A 288 20.176 -0.844 -12.293 1.00 0.00 O ATOM 343 NE2 GLN A 288 21.712 -0.180 -13.719 1.00 0.00 N ATOM 0 H GLN A 288 20.468 1.375 -17.922 1.00 0.00 H new ATOM 0 HA GLN A 288 18.406 -0.180 -16.921 1.00 0.00 H new ATOM 0 HB2 GLN A 288 20.796 0.018 -16.074 1.00 0.00 H new ATOM 0 HB3 GLN A 288 20.359 1.542 -15.326 1.00 0.00 H new ATOM 0 HG2 GLN A 288 18.566 0.398 -14.010 1.00 0.00 H new ATOM 0 HG3 GLN A 288 18.960 -1.126 -14.779 1.00 0.00 H new ATOM 0 HE21 GLN A 288 21.950 0.172 -14.646 1.00 0.00 H new ATOM 0 HE22 GLN A 288 22.448 -0.345 -13.032 1.00 0.00 H new ATOM 352 N SER A 289 17.986 3.018 -16.420 1.00 0.00 N ATOM 353 CA SER A 289 17.035 4.022 -15.954 1.00 0.00 C ATOM 354 C SER A 289 16.481 3.642 -14.581 1.00 0.00 C ATOM 355 O SER A 289 17.037 4.022 -13.551 1.00 0.00 O ATOM 356 CB SER A 289 15.890 4.145 -16.965 1.00 0.00 C ATOM 357 OG SER A 289 16.185 5.193 -17.879 1.00 0.00 O ATOM 0 H SER A 289 18.773 3.392 -16.949 1.00 0.00 H new ATOM 0 HA SER A 289 17.547 4.980 -15.864 1.00 0.00 H new ATOM 0 HB2 SER A 289 15.759 3.205 -17.501 1.00 0.00 H new ATOM 0 HB3 SER A 289 14.953 4.350 -16.448 1.00 0.00 H new ATOM 0 HG SER A 289 15.456 5.275 -18.529 1.00 0.00 H new ATOM 363 N LYS A 290 15.386 2.888 -14.577 1.00 0.00 N ATOM 364 CA LYS A 290 14.771 2.462 -13.326 1.00 0.00 C ATOM 365 C LYS A 290 15.381 1.145 -12.854 1.00 0.00 C ATOM 366 O LYS A 290 15.842 0.339 -13.662 1.00 0.00 O ATOM 367 CB LYS A 290 13.260 2.290 -13.512 1.00 0.00 C ATOM 368 CG LYS A 290 12.661 3.559 -14.127 1.00 0.00 C ATOM 369 CD LYS A 290 12.819 4.736 -13.160 1.00 0.00 C ATOM 370 CE LYS A 290 11.898 5.877 -13.595 1.00 0.00 C ATOM 371 NZ LYS A 290 12.299 7.132 -12.896 1.00 0.00 N ATOM 0 H LYS A 290 14.910 2.562 -15.418 1.00 0.00 H new ATOM 0 HA LYS A 290 14.956 3.229 -12.573 1.00 0.00 H new ATOM 0 HB2 LYS A 290 13.060 1.434 -14.156 1.00 0.00 H new ATOM 0 HB3 LYS A 290 12.788 2.084 -12.551 1.00 0.00 H new ATOM 0 HG2 LYS A 290 13.157 3.784 -15.071 1.00 0.00 H new ATOM 0 HG3 LYS A 290 11.606 3.401 -14.351 1.00 0.00 H new ATOM 0 HD2 LYS A 290 12.574 4.423 -12.145 1.00 0.00 H new ATOM 0 HD3 LYS A 290 13.855 5.075 -13.148 1.00 0.00 H new ATOM 0 HE2 LYS A 290 11.956 6.015 -14.675 1.00 0.00 H new ATOM 0 HE3 LYS A 290 10.862 5.632 -13.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 11.673 7.909 -13.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 12.222 6.997 -11.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 13.282 7.367 -13.141 1.00 0.00 H new ATOM 385 N CYS A 291 15.384 0.935 -11.541 1.00 0.00 N ATOM 386 CA CYS A 291 15.943 -0.287 -10.974 1.00 0.00 C ATOM 387 C CYS A 291 15.255 -1.515 -11.563 1.00 0.00 C ATOM 388 O CYS A 291 15.866 -2.576 -11.695 1.00 0.00 O ATOM 389 CB CYS A 291 15.773 -0.282 -9.455 1.00 0.00 C ATOM 390 SG CYS A 291 16.745 1.069 -8.743 1.00 0.00 S ATOM 0 H CYS A 291 15.009 1.590 -10.855 1.00 0.00 H new ATOM 0 HA CYS A 291 17.004 -0.328 -11.220 1.00 0.00 H new ATOM 0 HB2 CYS A 291 14.721 -0.163 -9.197 1.00 0.00 H new ATOM 0 HB3 CYS A 291 16.097 -1.236 -9.039 1.00 0.00 H new ATOM 0 HG CYS A 291 16.599 1.075 -7.451 1.00 0.00 H new ATOM 396 N GLY A 292 13.984 -1.362 -11.914 1.00 0.00 N ATOM 397 CA GLY A 292 13.221 -2.465 -12.489 1.00 0.00 C ATOM 398 C GLY A 292 11.856 -1.986 -12.967 1.00 0.00 C ATOM 399 O GLY A 292 10.894 -1.962 -12.199 1.00 0.00 O ATOM 0 H GLY A 292 13.462 -0.492 -11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 292 13.772 -2.899 -13.323 1.00 0.00 H new ATOM 0 HA3 GLY A 292 13.096 -3.253 -11.746 1.00 0.00 H new ATOM 403 N SER A 293 11.778 -1.609 -14.239 1.00 0.00 N ATOM 404 CA SER A 293 10.522 -1.135 -14.808 1.00 0.00 C ATOM 405 C SER A 293 10.698 -0.767 -16.278 1.00 0.00 C ATOM 406 O SER A 293 11.359 0.219 -16.603 1.00 0.00 O ATOM 407 CB SER A 293 10.031 0.088 -14.037 1.00 0.00 C ATOM 408 OG SER A 293 8.937 0.674 -14.731 1.00 0.00 O ATOM 0 H SER A 293 12.563 -1.622 -14.891 1.00 0.00 H new ATOM 0 HA SER A 293 9.789 -1.938 -14.731 1.00 0.00 H new ATOM 0 HB2 SER A 293 9.726 -0.201 -13.031 1.00 0.00 H new ATOM 0 HB3 SER A 293 10.838 0.812 -13.930 1.00 0.00 H new ATOM 0 HG SER A 293 8.619 1.459 -14.237 1.00 0.00 H new ATOM 414 N LYS A 294 10.095 -1.560 -17.159 1.00 0.00 N ATOM 415 CA LYS A 294 10.176 -1.308 -18.598 1.00 0.00 C ATOM 416 C LYS A 294 11.618 -1.379 -19.101 1.00 0.00 C ATOM 417 O LYS A 294 11.857 -1.652 -20.277 1.00 0.00 O ATOM 418 CB LYS A 294 9.604 0.075 -18.909 1.00 0.00 C ATOM 419 CG LYS A 294 8.205 0.194 -18.304 1.00 0.00 C ATOM 420 CD LYS A 294 7.760 1.654 -18.351 1.00 0.00 C ATOM 421 CE LYS A 294 7.483 2.062 -19.800 1.00 0.00 C ATOM 422 NZ LYS A 294 6.663 3.307 -19.817 1.00 0.00 N ATOM 0 H LYS A 294 9.546 -2.381 -16.905 1.00 0.00 H new ATOM 0 HA LYS A 294 9.598 -2.080 -19.106 1.00 0.00 H new ATOM 0 HB2 LYS A 294 10.255 0.849 -18.503 1.00 0.00 H new ATOM 0 HB3 LYS A 294 9.560 0.228 -19.987 1.00 0.00 H new ATOM 0 HG2 LYS A 294 7.503 -0.431 -18.856 1.00 0.00 H new ATOM 0 HG3 LYS A 294 8.209 -0.164 -17.275 1.00 0.00 H new ATOM 0 HD2 LYS A 294 6.863 1.791 -17.747 1.00 0.00 H new ATOM 0 HD3 LYS A 294 8.532 2.294 -17.924 1.00 0.00 H new ATOM 0 HE2 LYS A 294 8.422 2.225 -20.329 1.00 0.00 H new ATOM 0 HE3 LYS A 294 6.958 1.261 -20.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 6.474 3.585 -20.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 5.762 3.136 -19.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 7.180 4.070 -19.335 1.00 0.00 H new ATOM 436 N ASP A 295 12.574 -1.125 -18.214 1.00 0.00 N ATOM 437 CA ASP A 295 13.980 -1.158 -18.591 1.00 0.00 C ATOM 438 C ASP A 295 14.343 -2.509 -19.195 1.00 0.00 C ATOM 439 O ASP A 295 15.133 -2.587 -20.135 1.00 0.00 O ATOM 440 CB ASP A 295 14.848 -0.895 -17.361 1.00 0.00 C ATOM 441 CG ASP A 295 14.566 0.500 -16.819 1.00 0.00 C ATOM 442 OD1 ASP A 295 14.256 1.373 -17.613 1.00 0.00 O ATOM 443 OD2 ASP A 295 14.656 0.674 -15.616 1.00 0.00 O ATOM 0 H ASP A 295 12.402 -0.895 -17.235 1.00 0.00 H new ATOM 0 HA ASP A 295 14.158 -0.384 -19.338 1.00 0.00 H new ATOM 0 HB2 ASP A 295 14.643 -1.641 -16.594 1.00 0.00 H new ATOM 0 HB3 ASP A 295 15.902 -0.987 -17.622 1.00 0.00 H new ATOM 448 N ASN A 296 13.761 -3.572 -18.651 1.00 0.00 N ATOM 449 CA ASN A 296 14.038 -4.912 -19.152 1.00 0.00 C ATOM 450 C ASN A 296 13.049 -5.918 -18.577 1.00 0.00 C ATOM 451 O ASN A 296 12.674 -6.884 -19.241 1.00 0.00 O ATOM 452 CB ASN A 296 15.463 -5.325 -18.778 1.00 0.00 C ATOM 453 CG ASN A 296 15.891 -6.533 -19.604 1.00 0.00 C ATOM 454 OD1 ASN A 296 15.972 -6.452 -20.829 1.00 0.00 O ATOM 455 ND2 ASN A 296 16.172 -7.657 -19.002 1.00 0.00 N ATOM 0 H ASN A 296 13.103 -3.533 -17.873 1.00 0.00 H new ATOM 0 HA ASN A 296 13.935 -4.900 -20.237 1.00 0.00 H new ATOM 0 HB2 ASN A 296 16.148 -4.495 -18.951 1.00 0.00 H new ATOM 0 HB3 ASN A 296 15.514 -5.564 -17.716 1.00 0.00 H new ATOM 0 HD21 ASN A 296 16.459 -8.470 -19.547 1.00 0.00 H new ATOM 0 HD22 ASN A 296 16.104 -7.722 -17.986 1.00 0.00 H new ATOM 462 N ILE A 297 12.633 -5.690 -17.336 1.00 0.00 N ATOM 463 CA ILE A 297 11.690 -6.591 -16.687 1.00 0.00 C ATOM 464 C ILE A 297 10.311 -6.490 -17.325 1.00 0.00 C ATOM 465 O ILE A 297 9.541 -7.448 -17.286 1.00 0.00 O ATOM 466 CB ILE A 297 11.595 -6.268 -15.189 1.00 0.00 C ATOM 467 CG1 ILE A 297 10.914 -4.907 -14.976 1.00 0.00 C ATOM 468 CG2 ILE A 297 13.001 -6.225 -14.588 1.00 0.00 C ATOM 469 CD1 ILE A 297 10.725 -4.672 -13.478 1.00 0.00 C ATOM 0 H ILE A 297 12.930 -4.898 -16.765 1.00 0.00 H new ATOM 0 HA ILE A 297 12.055 -7.610 -16.814 1.00 0.00 H new ATOM 0 HB ILE A 297 11.003 -7.042 -14.700 1.00 0.00 H new ATOM 0 HG12 ILE A 297 11.521 -4.111 -15.408 1.00 0.00 H new ATOM 0 HG13 ILE A 297 9.950 -4.885 -15.485 1.00 0.00 H new ATOM 0 HG21 ILE A 297 12.935 -5.996 -13.524 1.00 0.00 H new ATOM 0 HG22 ILE A 297 13.483 -7.193 -14.721 1.00 0.00 H new ATOM 0 HG23 ILE A 297 13.588 -5.455 -15.089 1.00 0.00 H new ATOM 0 HD11 ILE A 297 10.242 -3.708 -13.319 1.00 0.00 H new ATOM 0 HD12 ILE A 297 10.102 -5.463 -13.061 1.00 0.00 H new ATOM 0 HD13 ILE A 297 11.696 -4.677 -12.983 1.00 0.00 H new ATOM 481 N LYS A 298 10.015 -5.318 -17.894 1.00 0.00 N ATOM 482 CA LYS A 298 8.717 -5.063 -18.524 1.00 0.00 C ATOM 483 C LYS A 298 7.623 -5.894 -17.866 1.00 0.00 C ATOM 484 O LYS A 298 6.649 -6.279 -18.510 1.00 0.00 O ATOM 485 CB LYS A 298 8.772 -5.347 -20.038 1.00 0.00 C ATOM 486 CG LYS A 298 8.795 -6.869 -20.333 1.00 0.00 C ATOM 487 CD LYS A 298 7.560 -7.280 -21.155 1.00 0.00 C ATOM 488 CE LYS A 298 7.805 -8.652 -21.785 1.00 0.00 C ATOM 489 NZ LYS A 298 6.512 -9.218 -22.264 1.00 0.00 N ATOM 0 H LYS A 298 10.660 -4.528 -17.931 1.00 0.00 H new ATOM 0 HA LYS A 298 8.480 -4.008 -18.384 1.00 0.00 H new ATOM 0 HB2 LYS A 298 7.908 -4.894 -20.525 1.00 0.00 H new ATOM 0 HB3 LYS A 298 9.660 -4.880 -20.464 1.00 0.00 H new ATOM 0 HG2 LYS A 298 9.703 -7.126 -20.878 1.00 0.00 H new ATOM 0 HG3 LYS A 298 8.817 -7.426 -19.396 1.00 0.00 H new ATOM 0 HD2 LYS A 298 6.678 -7.313 -20.515 1.00 0.00 H new ATOM 0 HD3 LYS A 298 7.363 -6.541 -21.931 1.00 0.00 H new ATOM 0 HE2 LYS A 298 8.505 -8.563 -22.616 1.00 0.00 H new ATOM 0 HE3 LYS A 298 8.260 -9.323 -21.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 6.679 -10.151 -22.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 5.858 -9.317 -21.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 6.096 -8.581 -22.973 1.00 0.00 H new ATOM 503 N HIS A 299 7.796 -6.175 -16.579 1.00 0.00 N ATOM 504 CA HIS A 299 6.821 -6.972 -15.859 1.00 0.00 C ATOM 505 C HIS A 299 5.419 -6.426 -16.093 1.00 0.00 C ATOM 506 O HIS A 299 4.516 -7.178 -16.448 1.00 0.00 O ATOM 507 CB HIS A 299 7.153 -6.997 -14.357 1.00 0.00 C ATOM 508 CG HIS A 299 7.318 -5.600 -13.796 1.00 0.00 C ATOM 509 ND1 HIS A 299 7.274 -5.363 -12.431 1.00 0.00 N ATOM 510 CD2 HIS A 299 7.530 -4.366 -14.376 1.00 0.00 C ATOM 511 CE1 HIS A 299 7.450 -4.045 -12.237 1.00 0.00 C ATOM 512 NE2 HIS A 299 7.612 -3.393 -13.387 1.00 0.00 N ATOM 0 H HIS A 299 8.593 -5.866 -16.022 1.00 0.00 H new ATOM 0 HA HIS A 299 6.859 -7.995 -16.233 1.00 0.00 H new ATOM 0 HB2 HIS A 299 6.360 -7.514 -13.818 1.00 0.00 H new ATOM 0 HB3 HIS A 299 8.070 -7.564 -14.196 1.00 0.00 H new ATOM 0 HD1 HIS A 299 7.133 -6.064 -11.704 1.00 0.00 H new ATOM 0 HD2 HIS A 299 7.619 -4.184 -15.437 1.00 0.00 H new ATOM 0 HE1 HIS A 299 7.459 -3.572 -11.266 1.00 0.00 H new ATOM 521 N VAL A 300 5.281 -5.110 -15.909 1.00 0.00 N ATOM 522 CA VAL A 300 4.026 -4.378 -16.093 1.00 0.00 C ATOM 523 C VAL A 300 3.803 -3.431 -14.911 1.00 0.00 C ATOM 524 O VAL A 300 3.523 -2.251 -15.110 1.00 0.00 O ATOM 525 CB VAL A 300 2.810 -5.308 -16.273 1.00 0.00 C ATOM 526 CG1 VAL A 300 1.520 -4.521 -16.004 1.00 0.00 C ATOM 527 CG2 VAL A 300 2.790 -5.861 -17.716 1.00 0.00 C ATOM 0 H VAL A 300 6.056 -4.512 -15.622 1.00 0.00 H new ATOM 0 HA VAL A 300 4.118 -3.805 -17.016 1.00 0.00 H new ATOM 0 HB VAL A 300 2.881 -6.138 -15.570 1.00 0.00 H new ATOM 0 HG11 VAL A 300 0.660 -5.178 -16.131 1.00 0.00 H new ATOM 0 HG12 VAL A 300 1.535 -4.136 -14.984 1.00 0.00 H new ATOM 0 HG13 VAL A 300 1.448 -3.689 -16.705 1.00 0.00 H new ATOM 0 HG21 VAL A 300 1.930 -6.518 -17.842 1.00 0.00 H new ATOM 0 HG22 VAL A 300 2.721 -5.033 -18.422 1.00 0.00 H new ATOM 0 HG23 VAL A 300 3.706 -6.422 -17.903 1.00 0.00 H new ATOM 537 N PRO A 301 3.934 -3.912 -13.696 1.00 0.00 N ATOM 538 CA PRO A 301 3.747 -3.051 -12.506 1.00 0.00 C ATOM 539 C PRO A 301 4.593 -1.782 -12.591 1.00 0.00 C ATOM 540 O PRO A 301 4.198 -0.733 -12.081 1.00 0.00 O ATOM 541 CB PRO A 301 4.173 -3.945 -11.334 1.00 0.00 C ATOM 542 CG PRO A 301 4.149 -5.359 -11.849 1.00 0.00 C ATOM 543 CD PRO A 301 3.731 -5.310 -13.319 1.00 0.00 C ATOM 0 HA PRO A 301 2.722 -2.694 -12.404 1.00 0.00 H new ATOM 0 HB2 PRO A 301 5.169 -3.676 -10.982 1.00 0.00 H new ATOM 0 HB3 PRO A 301 3.494 -3.828 -10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 301 5.131 -5.821 -11.746 1.00 0.00 H new ATOM 0 HG3 PRO A 301 3.450 -5.965 -11.272 1.00 0.00 H new ATOM 0 HD2 PRO A 301 4.337 -5.980 -13.929 1.00 0.00 H new ATOM 0 HD3 PRO A 301 2.692 -5.612 -13.449 1.00 0.00 H new ATOM 551 N GLY A 302 5.742 -1.870 -13.262 1.00 0.00 N ATOM 552 CA GLY A 302 6.594 -0.695 -13.421 1.00 0.00 C ATOM 553 C GLY A 302 5.724 0.471 -13.858 1.00 0.00 C ATOM 554 O GLY A 302 5.137 1.162 -13.027 1.00 0.00 O ATOM 0 H GLY A 302 6.097 -2.723 -13.695 1.00 0.00 H new ATOM 0 HA2 GLY A 302 7.098 -0.462 -12.483 1.00 0.00 H new ATOM 0 HA3 GLY A 302 7.371 -0.887 -14.161 1.00 0.00 H new ATOM 558 N GLY A 303 5.593 0.652 -15.167 1.00 0.00 N ATOM 559 CA GLY A 303 4.726 1.702 -15.673 1.00 0.00 C ATOM 560 C GLY A 303 3.331 1.444 -15.130 1.00 0.00 C ATOM 561 O GLY A 303 2.546 2.364 -14.898 1.00 0.00 O ATOM 0 H GLY A 303 6.065 0.098 -15.881 1.00 0.00 H new ATOM 0 HA2 GLY A 303 5.085 2.681 -15.357 1.00 0.00 H new ATOM 0 HA3 GLY A 303 4.719 1.702 -16.763 1.00 0.00 H new ATOM 565 N GLY A 304 3.059 0.160 -14.903 1.00 0.00 N ATOM 566 CA GLY A 304 1.787 -0.280 -14.353 1.00 0.00 C ATOM 567 C GLY A 304 0.722 -0.447 -15.435 1.00 0.00 C ATOM 568 O GLY A 304 0.697 0.289 -16.422 1.00 0.00 O ATOM 0 H GLY A 304 3.714 -0.598 -15.096 1.00 0.00 H new ATOM 0 HA2 GLY A 304 1.926 -1.227 -13.832 1.00 0.00 H new ATOM 0 HA3 GLY A 304 1.442 0.443 -13.614 1.00 0.00 H new ATOM 572 N SER A 305 -0.167 -1.415 -15.223 1.00 0.00 N ATOM 573 CA SER A 305 -1.255 -1.686 -16.159 1.00 0.00 C ATOM 574 C SER A 305 -2.153 -2.791 -15.605 1.00 0.00 C ATOM 575 O SER A 305 -3.314 -2.916 -15.993 1.00 0.00 O ATOM 576 CB SER A 305 -0.703 -2.090 -17.527 1.00 0.00 C ATOM 577 OG SER A 305 -1.777 -2.186 -18.454 1.00 0.00 O ATOM 0 H SER A 305 -0.154 -2.027 -14.407 1.00 0.00 H new ATOM 0 HA SER A 305 -1.843 -0.776 -16.283 1.00 0.00 H new ATOM 0 HB2 SER A 305 0.025 -1.355 -17.870 1.00 0.00 H new ATOM 0 HB3 SER A 305 -0.182 -3.045 -17.455 1.00 0.00 H new ATOM 0 HG SER A 305 -1.454 -1.966 -19.353 1.00 0.00 H new ATOM 583 N VAL A 306 -1.609 -3.571 -14.671 1.00 0.00 N ATOM 584 CA VAL A 306 -2.361 -4.650 -14.029 1.00 0.00 C ATOM 585 C VAL A 306 -2.547 -5.858 -14.949 1.00 0.00 C ATOM 586 O VAL A 306 -3.575 -6.533 -14.891 1.00 0.00 O ATOM 587 CB VAL A 306 -3.734 -4.134 -13.579 1.00 0.00 C ATOM 588 CG1 VAL A 306 -4.273 -5.031 -12.457 1.00 0.00 C ATOM 589 CG2 VAL A 306 -3.605 -2.691 -13.064 1.00 0.00 C ATOM 0 H VAL A 306 -0.648 -3.476 -14.341 1.00 0.00 H new ATOM 0 HA VAL A 306 -1.781 -4.978 -13.167 1.00 0.00 H new ATOM 0 HB VAL A 306 -4.421 -4.153 -14.425 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -5.249 -4.666 -12.136 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -4.371 -6.053 -12.823 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -3.583 -5.013 -11.613 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -4.583 -2.329 -12.746 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -2.916 -2.666 -12.219 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -3.224 -2.053 -13.861 1.00 0.00 H new ATOM 599 N GLN A 307 -1.549 -6.147 -15.779 1.00 0.00 N ATOM 600 CA GLN A 307 -1.633 -7.301 -16.672 1.00 0.00 C ATOM 601 C GLN A 307 -1.320 -8.570 -15.891 1.00 0.00 C ATOM 602 O GLN A 307 -2.191 -9.415 -15.681 1.00 0.00 O ATOM 603 CB GLN A 307 -0.647 -7.140 -17.826 1.00 0.00 C ATOM 604 CG GLN A 307 -1.046 -5.910 -18.633 1.00 0.00 C ATOM 605 CD GLN A 307 -0.044 -5.672 -19.757 1.00 0.00 C ATOM 606 OE1 GLN A 307 0.512 -6.622 -20.307 1.00 0.00 O ATOM 607 NE2 GLN A 307 0.228 -4.450 -20.128 1.00 0.00 N ATOM 0 H GLN A 307 -0.686 -5.609 -15.853 1.00 0.00 H new ATOM 0 HA GLN A 307 -2.641 -7.369 -17.080 1.00 0.00 H new ATOM 0 HB2 GLN A 307 0.368 -7.030 -17.445 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -0.656 -8.028 -18.459 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -2.044 -6.046 -19.048 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -1.088 -5.037 -17.982 1.00 0.00 H new ATOM 0 HE21 GLN A 307 -0.234 -3.664 -19.671 1.00 0.00 H new ATOM 0 HE22 GLN A 307 0.902 -4.282 -20.875 1.00 0.00 H new ATOM 616 N ILE A 308 -0.078 -8.679 -15.432 1.00 0.00 N ATOM 617 CA ILE A 308 0.329 -9.827 -14.637 1.00 0.00 C ATOM 618 C ILE A 308 -0.261 -9.689 -13.242 1.00 0.00 C ATOM 619 O ILE A 308 -0.383 -10.660 -12.497 1.00 0.00 O ATOM 620 CB ILE A 308 1.858 -9.900 -14.565 1.00 0.00 C ATOM 621 CG1 ILE A 308 2.394 -8.712 -13.762 1.00 0.00 C ATOM 622 CG2 ILE A 308 2.438 -9.858 -15.980 1.00 0.00 C ATOM 623 CD1 ILE A 308 3.918 -8.790 -13.690 1.00 0.00 C ATOM 0 H ILE A 308 0.657 -7.992 -15.596 1.00 0.00 H new ATOM 0 HA ILE A 308 -0.035 -10.745 -15.098 1.00 0.00 H new ATOM 0 HB ILE A 308 2.151 -10.829 -14.077 1.00 0.00 H new ATOM 0 HG12 ILE A 308 2.089 -7.776 -14.230 1.00 0.00 H new ATOM 0 HG13 ILE A 308 1.971 -8.718 -12.757 1.00 0.00 H new ATOM 0 HG21 ILE A 308 3.526 -9.910 -15.929 1.00 0.00 H new ATOM 0 HG22 ILE A 308 2.061 -10.705 -16.553 1.00 0.00 H new ATOM 0 HG23 ILE A 308 2.142 -8.929 -16.467 1.00 0.00 H new ATOM 0 HD11 ILE A 308 4.299 -7.944 -13.118 1.00 0.00 H new ATOM 0 HD12 ILE A 308 4.212 -9.719 -13.202 1.00 0.00 H new ATOM 0 HD13 ILE A 308 4.332 -8.762 -14.698 1.00 0.00 H new ATOM 635 N VAL A 309 -0.630 -8.456 -12.910 1.00 0.00 N ATOM 636 CA VAL A 309 -1.220 -8.145 -11.615 1.00 0.00 C ATOM 637 C VAL A 309 -0.215 -8.343 -10.481 1.00 0.00 C ATOM 638 O VAL A 309 -0.309 -7.690 -9.441 1.00 0.00 O ATOM 639 CB VAL A 309 -2.433 -9.043 -11.353 1.00 0.00 C ATOM 640 CG1 VAL A 309 -3.420 -8.317 -10.435 1.00 0.00 C ATOM 641 CG2 VAL A 309 -3.123 -9.390 -12.682 1.00 0.00 C ATOM 0 H VAL A 309 -0.529 -7.650 -13.527 1.00 0.00 H new ATOM 0 HA VAL A 309 -1.525 -7.099 -11.642 1.00 0.00 H new ATOM 0 HB VAL A 309 -2.100 -9.963 -10.872 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -4.283 -8.957 -10.249 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -2.932 -8.082 -9.489 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -3.749 -7.394 -10.912 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -3.985 -10.029 -12.489 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -3.453 -8.473 -13.171 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -2.421 -9.914 -13.330 1.00 0.00 H new ATOM 651 N TYR A 310 0.733 -9.255 -10.676 1.00 0.00 N ATOM 652 CA TYR A 310 1.729 -9.536 -9.648 1.00 0.00 C ATOM 653 C TYR A 310 3.090 -8.998 -10.056 1.00 0.00 C ATOM 654 O TYR A 310 3.542 -9.191 -11.182 1.00 0.00 O ATOM 655 CB TYR A 310 1.829 -11.046 -9.404 1.00 0.00 C ATOM 656 CG TYR A 310 2.468 -11.714 -10.600 1.00 0.00 C ATOM 657 CD1 TYR A 310 3.857 -11.672 -10.766 1.00 0.00 C ATOM 658 CD2 TYR A 310 1.670 -12.376 -11.540 1.00 0.00 C ATOM 659 CE1 TYR A 310 4.448 -12.291 -11.873 1.00 0.00 C ATOM 660 CE2 TYR A 310 2.262 -12.996 -12.647 1.00 0.00 C ATOM 661 CZ TYR A 310 3.651 -12.952 -12.814 1.00 0.00 C ATOM 662 OH TYR A 310 4.234 -13.563 -13.906 1.00 0.00 O ATOM 0 H TYR A 310 0.832 -9.807 -11.528 1.00 0.00 H new ATOM 0 HA TYR A 310 1.415 -9.041 -8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 310 2.419 -11.241 -8.508 1.00 0.00 H new ATOM 0 HB3 TYR A 310 0.837 -11.462 -9.230 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.473 -11.162 -10.040 1.00 0.00 H new ATOM 0 HD2 TYR A 310 0.598 -12.409 -11.412 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.520 -12.259 -12.001 1.00 0.00 H new ATOM 0 HE2 TYR A 310 1.647 -13.508 -13.372 1.00 0.00 H new ATOM 0 HH TYR A 310 3.539 -13.977 -14.459 1.00 0.00 H new ATOM 672 N LYS A 311 3.735 -8.320 -9.123 1.00 0.00 N ATOM 673 CA LYS A 311 5.050 -7.743 -9.377 1.00 0.00 C ATOM 674 C LYS A 311 6.155 -8.655 -8.830 1.00 0.00 C ATOM 675 O LYS A 311 6.159 -8.980 -7.643 1.00 0.00 O ATOM 676 CB LYS A 311 5.143 -6.368 -8.709 1.00 0.00 C ATOM 677 CG LYS A 311 4.314 -6.371 -7.423 1.00 0.00 C ATOM 678 CD LYS A 311 4.823 -5.278 -6.478 1.00 0.00 C ATOM 679 CE LYS A 311 5.965 -5.830 -5.621 1.00 0.00 C ATOM 680 NZ LYS A 311 5.431 -6.857 -4.683 1.00 0.00 N ATOM 0 H LYS A 311 3.374 -8.154 -8.184 1.00 0.00 H new ATOM 0 HA LYS A 311 5.184 -7.640 -10.454 1.00 0.00 H new ATOM 0 HB2 LYS A 311 6.183 -6.130 -8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 311 4.779 -5.596 -9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 311 3.263 -6.203 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 311 4.381 -7.345 -6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 311 5.169 -4.419 -7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 311 4.012 -4.929 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 311 6.733 -6.268 -6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 311 6.438 -5.022 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 6.024 -6.889 -3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 4.456 -6.612 -4.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 5.440 -7.788 -5.146 1.00 0.00 H new ATOM 694 N PRO A 312 7.095 -9.062 -9.655 1.00 0.00 N ATOM 695 CA PRO A 312 8.206 -9.938 -9.184 1.00 0.00 C ATOM 696 C PRO A 312 9.033 -9.279 -8.082 1.00 0.00 C ATOM 697 O PRO A 312 10.241 -9.447 -8.096 1.00 0.00 O ATOM 698 CB PRO A 312 9.042 -10.152 -10.440 1.00 0.00 C ATOM 699 CG PRO A 312 8.061 -10.121 -11.561 1.00 0.00 C ATOM 700 CD PRO A 312 6.921 -9.197 -11.120 1.00 0.00 C ATOM 701 OXT PRO A 312 8.445 -8.619 -7.242 1.00 0.00 O ATOM 0 HA PRO A 312 7.842 -10.865 -8.742 1.00 0.00 H new ATOM 0 HB2 PRO A 312 9.795 -9.372 -10.552 1.00 0.00 H new ATOM 0 HB3 PRO A 312 9.572 -11.104 -10.405 1.00 0.00 H new ATOM 0 HG2 PRO A 312 8.528 -9.752 -12.474 1.00 0.00 H new ATOM 0 HG3 PRO A 312 7.687 -11.122 -11.776 1.00 0.00 H new ATOM 0 HD2 PRO A 312 6.981 -8.229 -11.617 1.00 0.00 H new ATOM 0 HD3 PRO A 312 5.948 -9.622 -11.366 1.00 0.00 H new TER 709 PRO A 312