USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=10 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 293 SER OG : rot -115:sc= 0.475 USER MOD Set 1.2: A 307 GLN : amide:sc= -2.28 K(o=-1.8,f=-3.8!) USER MOD Set 2.1: A 288 GLN : amide:sc= -9.7! C(o=-11!,f=-4.3!) USER MOD Set 2.2: A 294 LYS NZ :NH3+ 142:sc= -1.1 (180deg=-0.707) USER MOD Single : A 267 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 268 HIS : no HD1:sc= 0.326 K(o=0.33,f=-2!) USER MOD Single : A 269 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= -18.6! C(o=-19!,f=-12!) USER MOD Single : A 279 ASN : amide:sc= -0.542 K(o=-0.54,f=-2.5!) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 285 SER OG : rot 180:sc= -1.07 USER MOD Single : A 286 ASN : amide:sc= -0.0251 X(o=-0.025,f=-0.042) USER MOD Single : A 289 SER OG : rot -51:sc= 0.632 USER MOD Single : A 290 LYS NZ :NH3+ -158:sc= -0.158 (180deg=-0.84) USER MOD Single : A 291 CYS SG : rot 180:sc= 0 USER MOD Single : A 296 ASN : amide:sc= -2.43 K(o=-2.4,f=-3!) USER MOD Single : A 298 LYS NZ :NH3+ 166:sc=-0.00166 (180deg=-0.146) USER MOD Single : A 299 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-12!) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 310 TYR OH : rot 180:sc= -1.8 USER MOD Single : A 311 LYS NZ :NH3+ -151:sc= -0.164 (180deg=-0.843) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 3.704 -5.313 -39.648 1.00 0.00 N ATOM 2 CA LYS A 267 4.006 -5.861 -38.330 1.00 0.00 C ATOM 3 C LYS A 267 5.245 -5.193 -37.743 1.00 0.00 C ATOM 4 O LYS A 267 5.209 -4.660 -36.634 1.00 0.00 O ATOM 5 CB LYS A 267 4.238 -7.370 -38.433 1.00 0.00 C ATOM 6 CG LYS A 267 2.949 -8.057 -38.888 1.00 0.00 C ATOM 7 CD LYS A 267 3.147 -9.574 -38.879 1.00 0.00 C ATOM 8 CE LYS A 267 1.901 -10.257 -39.447 1.00 0.00 C ATOM 9 NZ LYS A 267 2.213 -11.681 -39.752 1.00 0.00 N ATOM 0 HA LYS A 267 3.158 -5.668 -37.674 1.00 0.00 H new ATOM 0 HB2 LYS A 267 5.042 -7.577 -39.140 1.00 0.00 H new ATOM 0 HB3 LYS A 267 4.552 -7.767 -37.468 1.00 0.00 H new ATOM 0 HG2 LYS A 267 2.126 -7.783 -38.228 1.00 0.00 H new ATOM 0 HG3 LYS A 267 2.679 -7.721 -39.889 1.00 0.00 H new ATOM 0 HD2 LYS A 267 4.022 -9.840 -39.472 1.00 0.00 H new ATOM 0 HD3 LYS A 267 3.333 -9.921 -37.862 1.00 0.00 H new ATOM 0 HE2 LYS A 267 1.082 -10.198 -38.730 1.00 0.00 H new ATOM 0 HE3 LYS A 267 1.571 -9.744 -40.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 1.367 -12.147 -40.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 2.982 -11.726 -40.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 2.508 -12.166 -38.881 1.00 0.00 H new ATOM 23 N HIS A 268 6.341 -5.225 -38.493 1.00 0.00 N ATOM 24 CA HIS A 268 7.586 -4.620 -38.036 1.00 0.00 C ATOM 25 C HIS A 268 7.449 -3.103 -37.964 1.00 0.00 C ATOM 26 O HIS A 268 6.640 -2.509 -38.676 1.00 0.00 O ATOM 27 CB HIS A 268 8.726 -4.985 -38.989 1.00 0.00 C ATOM 28 CG HIS A 268 8.404 -4.486 -40.371 1.00 0.00 C ATOM 29 ND1 HIS A 268 7.551 -5.169 -41.224 1.00 0.00 N ATOM 30 CD2 HIS A 268 8.812 -3.373 -41.063 1.00 0.00 C ATOM 31 CE1 HIS A 268 7.473 -4.467 -42.369 1.00 0.00 C ATOM 32 NE2 HIS A 268 8.224 -3.363 -42.324 1.00 0.00 N ATOM 0 H HIS A 268 6.393 -5.660 -39.414 1.00 0.00 H new ATOM 0 HA HIS A 268 7.809 -5.002 -37.040 1.00 0.00 H new ATOM 0 HB2 HIS A 268 9.660 -4.545 -38.641 1.00 0.00 H new ATOM 0 HB3 HIS A 268 8.869 -6.065 -39.005 1.00 0.00 H new ATOM 0 HD2 HIS A 268 9.487 -2.619 -40.686 1.00 0.00 H new ATOM 0 HE1 HIS A 268 6.876 -4.760 -43.220 1.00 0.00 H new ATOM 0 HE2 HIS A 268 8.341 -2.663 -43.057 1.00 0.00 H new ATOM 41 N GLN A 269 8.245 -2.483 -37.099 1.00 0.00 N ATOM 42 CA GLN A 269 8.205 -1.034 -36.943 1.00 0.00 C ATOM 43 C GLN A 269 8.626 -0.348 -38.242 1.00 0.00 C ATOM 44 O GLN A 269 9.410 -0.899 -39.015 1.00 0.00 O ATOM 45 CB GLN A 269 9.143 -0.609 -35.810 1.00 0.00 C ATOM 46 CG GLN A 269 10.445 -1.407 -35.897 1.00 0.00 C ATOM 47 CD GLN A 269 11.485 -0.813 -34.954 1.00 0.00 C ATOM 48 OE1 GLN A 269 12.550 -0.381 -35.396 1.00 0.00 O ATOM 49 NE2 GLN A 269 11.239 -0.764 -33.673 1.00 0.00 N ATOM 0 H GLN A 269 8.921 -2.957 -36.500 1.00 0.00 H new ATOM 0 HA GLN A 269 7.185 -0.736 -36.701 1.00 0.00 H new ATOM 0 HB2 GLN A 269 9.353 0.458 -35.879 1.00 0.00 H new ATOM 0 HB3 GLN A 269 8.665 -0.778 -34.845 1.00 0.00 H new ATOM 0 HG2 GLN A 269 10.260 -2.449 -35.638 1.00 0.00 H new ATOM 0 HG3 GLN A 269 10.821 -1.395 -36.920 1.00 0.00 H new ATOM 0 HE21 GLN A 269 10.356 -1.122 -33.309 1.00 0.00 H new ATOM 0 HE22 GLN A 269 11.930 -0.367 -33.036 1.00 0.00 H new ATOM 58 N PRO A 270 8.130 0.837 -38.492 1.00 0.00 N ATOM 59 CA PRO A 270 8.485 1.593 -39.733 1.00 0.00 C ATOM 60 C PRO A 270 9.994 1.790 -39.868 1.00 0.00 C ATOM 61 O PRO A 270 10.709 1.880 -38.869 1.00 0.00 O ATOM 62 CB PRO A 270 7.768 2.946 -39.567 1.00 0.00 C ATOM 63 CG PRO A 270 7.462 3.048 -38.113 1.00 0.00 C ATOM 64 CD PRO A 270 7.223 1.620 -37.642 1.00 0.00 C ATOM 0 HA PRO A 270 8.183 1.060 -40.634 1.00 0.00 H new ATOM 0 HB2 PRO A 270 8.401 3.770 -39.895 1.00 0.00 H new ATOM 0 HB3 PRO A 270 6.858 2.986 -40.165 1.00 0.00 H new ATOM 0 HG2 PRO A 270 8.289 3.506 -37.570 1.00 0.00 H new ATOM 0 HG3 PRO A 270 6.583 3.670 -37.940 1.00 0.00 H new ATOM 0 HD2 PRO A 270 7.456 1.499 -36.584 1.00 0.00 H new ATOM 0 HD3 PRO A 270 6.184 1.319 -37.776 1.00 0.00 H new ATOM 72 N GLY A 271 10.467 1.865 -41.105 1.00 0.00 N ATOM 73 CA GLY A 271 11.889 2.064 -41.356 1.00 0.00 C ATOM 74 C GLY A 271 12.234 3.545 -41.276 1.00 0.00 C ATOM 75 O GLY A 271 11.396 4.361 -40.891 1.00 0.00 O ATOM 0 H GLY A 271 9.892 1.792 -41.945 1.00 0.00 H new ATOM 0 HA2 GLY A 271 12.476 1.506 -40.626 1.00 0.00 H new ATOM 0 HA3 GLY A 271 12.150 1.675 -42.340 1.00 0.00 H new ATOM 79 N GLY A 272 13.461 3.896 -41.642 1.00 0.00 N ATOM 80 CA GLY A 272 13.872 5.292 -41.598 1.00 0.00 C ATOM 81 C GLY A 272 12.853 6.157 -42.326 1.00 0.00 C ATOM 82 O GLY A 272 12.549 7.271 -41.900 1.00 0.00 O ATOM 0 H GLY A 272 14.177 3.246 -41.967 1.00 0.00 H new ATOM 0 HA2 GLY A 272 13.966 5.620 -40.563 1.00 0.00 H new ATOM 0 HA3 GLY A 272 14.853 5.406 -42.059 1.00 0.00 H new ATOM 86 N GLY A 273 12.310 5.622 -43.415 1.00 0.00 N ATOM 87 CA GLY A 273 11.302 6.339 -44.186 1.00 0.00 C ATOM 88 C GLY A 273 9.917 6.032 -43.632 1.00 0.00 C ATOM 89 O GLY A 273 9.781 5.243 -42.698 1.00 0.00 O ATOM 0 H GLY A 273 12.549 4.701 -43.781 1.00 0.00 H new ATOM 0 HA2 GLY A 273 11.492 7.411 -44.143 1.00 0.00 H new ATOM 0 HA3 GLY A 273 11.357 6.048 -45.235 1.00 0.00 H new ATOM 93 N LYS A 274 8.887 6.650 -44.204 1.00 0.00 N ATOM 94 CA LYS A 274 7.522 6.416 -43.736 1.00 0.00 C ATOM 95 C LYS A 274 6.688 5.722 -44.811 1.00 0.00 C ATOM 96 O LYS A 274 6.522 6.234 -45.918 1.00 0.00 O ATOM 97 CB LYS A 274 6.868 7.746 -43.346 1.00 0.00 C ATOM 98 CG LYS A 274 6.591 8.580 -44.598 1.00 0.00 C ATOM 99 CD LYS A 274 6.319 10.031 -44.194 1.00 0.00 C ATOM 100 CE LYS A 274 5.024 10.102 -43.382 1.00 0.00 C ATOM 101 NZ LYS A 274 4.532 11.508 -43.355 1.00 0.00 N ATOM 0 H LYS A 274 8.967 7.307 -44.980 1.00 0.00 H new ATOM 0 HA LYS A 274 7.566 5.765 -42.863 1.00 0.00 H new ATOM 0 HB2 LYS A 274 5.937 7.560 -42.810 1.00 0.00 H new ATOM 0 HB3 LYS A 274 7.521 8.297 -42.669 1.00 0.00 H new ATOM 0 HG2 LYS A 274 7.444 8.533 -45.275 1.00 0.00 H new ATOM 0 HG3 LYS A 274 5.734 8.174 -45.136 1.00 0.00 H new ATOM 0 HD2 LYS A 274 7.151 10.418 -43.606 1.00 0.00 H new ATOM 0 HD3 LYS A 274 6.238 10.658 -45.082 1.00 0.00 H new ATOM 0 HE2 LYS A 274 4.270 9.450 -43.822 1.00 0.00 H new ATOM 0 HE3 LYS A 274 5.199 9.747 -42.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 3.652 11.557 -42.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 5.250 12.119 -42.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 4.350 11.831 -44.327 1.00 0.00 H new ATOM 115 N VAL A 275 6.157 4.553 -44.466 1.00 0.00 N ATOM 116 CA VAL A 275 5.321 3.790 -45.390 1.00 0.00 C ATOM 117 C VAL A 275 4.057 3.346 -44.667 1.00 0.00 C ATOM 118 O VAL A 275 3.088 2.898 -45.281 1.00 0.00 O ATOM 119 CB VAL A 275 6.082 2.568 -45.904 1.00 0.00 C ATOM 120 CG1 VAL A 275 6.492 1.685 -44.723 1.00 0.00 C ATOM 121 CG2 VAL A 275 5.182 1.767 -46.847 1.00 0.00 C ATOM 0 H VAL A 275 6.290 4.113 -43.555 1.00 0.00 H new ATOM 0 HA VAL A 275 5.056 4.418 -46.241 1.00 0.00 H new ATOM 0 HB VAL A 275 6.973 2.896 -46.439 1.00 0.00 H new ATOM 0 HG11 VAL A 275 7.034 0.814 -45.091 1.00 0.00 H new ATOM 0 HG12 VAL A 275 7.133 2.253 -44.049 1.00 0.00 H new ATOM 0 HG13 VAL A 275 5.601 1.358 -44.187 1.00 0.00 H new ATOM 0 HG21 VAL A 275 5.724 0.895 -47.214 1.00 0.00 H new ATOM 0 HG22 VAL A 275 4.291 1.441 -46.310 1.00 0.00 H new ATOM 0 HG23 VAL A 275 4.889 2.393 -47.690 1.00 0.00 H new ATOM 131 N GLN A 276 4.097 3.480 -43.350 1.00 0.00 N ATOM 132 CA GLN A 276 2.983 3.106 -42.493 1.00 0.00 C ATOM 133 C GLN A 276 2.803 4.151 -41.400 1.00 0.00 C ATOM 134 O GLN A 276 3.594 5.088 -41.296 1.00 0.00 O ATOM 135 CB GLN A 276 3.248 1.744 -41.857 1.00 0.00 C ATOM 136 CG GLN A 276 4.582 1.784 -41.114 1.00 0.00 C ATOM 137 CD GLN A 276 4.396 2.435 -39.750 1.00 0.00 C ATOM 138 OE1 GLN A 276 3.942 1.786 -38.808 1.00 0.00 O ATOM 139 NE2 GLN A 276 4.716 3.690 -39.589 1.00 0.00 N ATOM 0 H GLN A 276 4.902 3.851 -42.846 1.00 0.00 H new ATOM 0 HA GLN A 276 2.076 3.050 -43.095 1.00 0.00 H new ATOM 0 HB2 GLN A 276 2.443 1.489 -41.168 1.00 0.00 H new ATOM 0 HB3 GLN A 276 3.269 0.970 -42.624 1.00 0.00 H new ATOM 0 HG2 GLN A 276 4.972 0.773 -40.994 1.00 0.00 H new ATOM 0 HG3 GLN A 276 5.316 2.342 -41.696 1.00 0.00 H new ATOM 0 HE21 GLN A 276 5.092 4.225 -40.372 1.00 0.00 H new ATOM 0 HE22 GLN A 276 4.590 4.136 -38.680 1.00 0.00 H new ATOM 148 N ILE A 277 1.773 3.988 -40.581 1.00 0.00 N ATOM 149 CA ILE A 277 1.536 4.936 -39.503 1.00 0.00 C ATOM 150 C ILE A 277 2.649 4.825 -38.472 1.00 0.00 C ATOM 151 O ILE A 277 2.986 3.728 -38.025 1.00 0.00 O ATOM 152 CB ILE A 277 0.201 4.649 -38.824 1.00 0.00 C ATOM 153 CG1 ILE A 277 -0.922 4.632 -39.865 1.00 0.00 C ATOM 154 CG2 ILE A 277 -0.075 5.735 -37.787 1.00 0.00 C ATOM 155 CD1 ILE A 277 -0.867 5.906 -40.713 1.00 0.00 C ATOM 0 H ILE A 277 1.100 3.224 -40.640 1.00 0.00 H new ATOM 0 HA ILE A 277 1.515 5.941 -39.924 1.00 0.00 H new ATOM 0 HB ILE A 277 0.243 3.676 -38.336 1.00 0.00 H new ATOM 0 HG12 ILE A 277 -0.824 3.755 -40.504 1.00 0.00 H new ATOM 0 HG13 ILE A 277 -1.889 4.557 -39.368 1.00 0.00 H new ATOM 0 HG21 ILE A 277 -1.028 5.536 -37.297 1.00 0.00 H new ATOM 0 HG22 ILE A 277 0.722 5.738 -37.043 1.00 0.00 H new ATOM 0 HG23 ILE A 277 -0.116 6.707 -38.280 1.00 0.00 H new ATOM 0 HD11 ILE A 277 -1.669 5.887 -41.451 1.00 0.00 H new ATOM 0 HD12 ILE A 277 -0.988 6.777 -40.069 1.00 0.00 H new ATOM 0 HD13 ILE A 277 0.095 5.962 -41.223 1.00 0.00 H new ATOM 167 N ILE A 278 3.220 5.962 -38.101 1.00 0.00 N ATOM 168 CA ILE A 278 4.304 5.969 -37.132 1.00 0.00 C ATOM 169 C ILE A 278 3.791 5.627 -35.741 1.00 0.00 C ATOM 170 O ILE A 278 3.367 6.498 -34.983 1.00 0.00 O ATOM 171 CB ILE A 278 4.967 7.347 -37.121 1.00 0.00 C ATOM 172 CG1 ILE A 278 5.420 7.701 -38.544 1.00 0.00 C ATOM 173 CG2 ILE A 278 6.176 7.329 -36.182 1.00 0.00 C ATOM 174 CD1 ILE A 278 6.332 6.602 -39.099 1.00 0.00 C ATOM 0 H ILE A 278 2.954 6.882 -38.452 1.00 0.00 H new ATOM 0 HA ILE A 278 5.035 5.213 -37.419 1.00 0.00 H new ATOM 0 HB ILE A 278 4.254 8.093 -36.770 1.00 0.00 H new ATOM 0 HG12 ILE A 278 4.551 7.823 -39.190 1.00 0.00 H new ATOM 0 HG13 ILE A 278 5.949 8.654 -38.538 1.00 0.00 H new ATOM 0 HG21 ILE A 278 6.647 8.312 -36.176 1.00 0.00 H new ATOM 0 HG22 ILE A 278 5.849 7.077 -35.173 1.00 0.00 H new ATOM 0 HG23 ILE A 278 6.894 6.585 -36.527 1.00 0.00 H new ATOM 0 HD11 ILE A 278 6.646 6.865 -40.109 1.00 0.00 H new ATOM 0 HD12 ILE A 278 7.210 6.501 -38.461 1.00 0.00 H new ATOM 0 HD13 ILE A 278 5.790 5.657 -39.123 1.00 0.00 H new ATOM 186 N ASN A 279 3.850 4.340 -35.417 1.00 0.00 N ATOM 187 CA ASN A 279 3.412 3.849 -34.115 1.00 0.00 C ATOM 188 C ASN A 279 4.509 2.993 -33.493 1.00 0.00 C ATOM 189 O ASN A 279 4.238 1.952 -32.894 1.00 0.00 O ATOM 190 CB ASN A 279 2.135 3.025 -34.270 1.00 0.00 C ATOM 191 CG ASN A 279 0.989 3.923 -34.721 1.00 0.00 C ATOM 192 OD1 ASN A 279 1.098 5.148 -34.663 1.00 0.00 O ATOM 193 ND2 ASN A 279 -0.112 3.384 -35.167 1.00 0.00 N ATOM 0 H ASN A 279 4.199 3.614 -36.042 1.00 0.00 H new ATOM 0 HA ASN A 279 3.207 4.699 -33.464 1.00 0.00 H new ATOM 0 HB2 ASN A 279 2.292 2.228 -34.997 1.00 0.00 H new ATOM 0 HB3 ASN A 279 1.883 2.547 -33.323 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -0.885 3.978 -35.469 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -0.200 2.369 -35.214 1.00 0.00 H new ATOM 200 N LYS A 280 5.750 3.435 -33.659 1.00 0.00 N ATOM 201 CA LYS A 280 6.898 2.704 -33.130 1.00 0.00 C ATOM 202 C LYS A 280 6.695 2.374 -31.659 1.00 0.00 C ATOM 203 O LYS A 280 7.062 1.295 -31.196 1.00 0.00 O ATOM 204 CB LYS A 280 8.148 3.570 -33.265 1.00 0.00 C ATOM 205 CG LYS A 280 8.367 3.942 -34.732 1.00 0.00 C ATOM 206 CD LYS A 280 9.579 4.867 -34.844 1.00 0.00 C ATOM 207 CE LYS A 280 9.322 6.145 -34.038 1.00 0.00 C ATOM 208 NZ LYS A 280 10.048 7.285 -34.667 1.00 0.00 N ATOM 0 H LYS A 280 5.988 4.294 -34.155 1.00 0.00 H new ATOM 0 HA LYS A 280 7.008 1.777 -33.693 1.00 0.00 H new ATOM 0 HB2 LYS A 280 8.042 4.473 -32.664 1.00 0.00 H new ATOM 0 HB3 LYS A 280 9.016 3.033 -32.883 1.00 0.00 H new ATOM 0 HG2 LYS A 280 8.525 3.043 -35.327 1.00 0.00 H new ATOM 0 HG3 LYS A 280 7.480 4.436 -35.130 1.00 0.00 H new ATOM 0 HD2 LYS A 280 10.471 4.363 -34.472 1.00 0.00 H new ATOM 0 HD3 LYS A 280 9.766 5.115 -35.889 1.00 0.00 H new ATOM 0 HE2 LYS A 280 8.253 6.356 -34.002 1.00 0.00 H new ATOM 0 HE3 LYS A 280 9.655 6.012 -33.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 9.873 8.152 -34.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 11.068 7.083 -34.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 9.710 7.417 -35.642 1.00 0.00 H new ATOM 222 N LYS A 281 6.121 3.317 -30.928 1.00 0.00 N ATOM 223 CA LYS A 281 5.883 3.128 -29.504 1.00 0.00 C ATOM 224 C LYS A 281 4.983 1.922 -29.254 1.00 0.00 C ATOM 225 O LYS A 281 5.166 1.190 -28.282 1.00 0.00 O ATOM 226 CB LYS A 281 5.221 4.382 -28.926 1.00 0.00 C ATOM 227 CG LYS A 281 6.134 5.608 -29.135 1.00 0.00 C ATOM 228 CD LYS A 281 5.613 6.465 -30.302 1.00 0.00 C ATOM 229 CE LYS A 281 4.216 7.022 -29.976 1.00 0.00 C ATOM 230 NZ LYS A 281 4.234 8.506 -30.112 1.00 0.00 N ATOM 0 H LYS A 281 5.812 4.217 -31.294 1.00 0.00 H new ATOM 0 HA LYS A 281 6.842 2.951 -29.017 1.00 0.00 H new ATOM 0 HB2 LYS A 281 4.258 4.550 -29.408 1.00 0.00 H new ATOM 0 HB3 LYS A 281 5.025 4.242 -27.863 1.00 0.00 H new ATOM 0 HG2 LYS A 281 6.169 6.204 -28.223 1.00 0.00 H new ATOM 0 HG3 LYS A 281 7.153 5.281 -29.341 1.00 0.00 H new ATOM 0 HD2 LYS A 281 6.303 7.286 -30.495 1.00 0.00 H new ATOM 0 HD3 LYS A 281 5.569 5.865 -31.211 1.00 0.00 H new ATOM 0 HE2 LYS A 281 3.474 6.592 -30.649 1.00 0.00 H new ATOM 0 HE3 LYS A 281 3.927 6.742 -28.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 3.291 8.886 -29.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 4.931 8.907 -29.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 4.492 8.762 -31.086 1.00 0.00 H new ATOM 244 N LEU A 282 3.998 1.735 -30.126 1.00 0.00 N ATOM 245 CA LEU A 282 3.059 0.624 -29.977 1.00 0.00 C ATOM 246 C LEU A 282 3.698 -0.722 -30.321 1.00 0.00 C ATOM 247 O LEU A 282 3.363 -1.742 -29.720 1.00 0.00 O ATOM 248 CB LEU A 282 1.836 0.843 -30.872 1.00 0.00 C ATOM 249 CG LEU A 282 1.197 2.202 -30.565 1.00 0.00 C ATOM 250 CD1 LEU A 282 -0.101 2.351 -31.367 1.00 0.00 C ATOM 251 CD2 LEU A 282 0.884 2.300 -29.069 1.00 0.00 C ATOM 0 H LEU A 282 3.828 2.331 -30.936 1.00 0.00 H new ATOM 0 HA LEU A 282 2.759 0.598 -28.930 1.00 0.00 H new ATOM 0 HB2 LEU A 282 2.130 0.799 -31.921 1.00 0.00 H new ATOM 0 HB3 LEU A 282 1.110 0.046 -30.711 1.00 0.00 H new ATOM 0 HG LEU A 282 1.891 2.996 -30.842 1.00 0.00 H new ATOM 0 HD11 LEU A 282 -0.555 3.318 -31.148 1.00 0.00 H new ATOM 0 HD12 LEU A 282 0.120 2.287 -32.432 1.00 0.00 H new ATOM 0 HD13 LEU A 282 -0.792 1.555 -31.091 1.00 0.00 H new ATOM 0 HD21 LEU A 282 0.430 3.268 -28.855 1.00 0.00 H new ATOM 0 HD22 LEU A 282 0.193 1.505 -28.789 1.00 0.00 H new ATOM 0 HD23 LEU A 282 1.806 2.197 -28.497 1.00 0.00 H new ATOM 263 N ASP A 283 4.596 -0.732 -31.306 1.00 0.00 N ATOM 264 CA ASP A 283 5.240 -1.980 -31.726 1.00 0.00 C ATOM 265 C ASP A 283 6.733 -1.989 -31.405 1.00 0.00 C ATOM 266 O ASP A 283 7.309 -0.973 -31.020 1.00 0.00 O ATOM 267 CB ASP A 283 5.043 -2.182 -33.231 1.00 0.00 C ATOM 268 CG ASP A 283 5.773 -1.092 -34.007 1.00 0.00 C ATOM 269 OD1 ASP A 283 6.617 -0.437 -33.420 1.00 0.00 O ATOM 270 OD2 ASP A 283 5.479 -0.930 -35.180 1.00 0.00 O ATOM 0 H ASP A 283 4.892 0.096 -31.823 1.00 0.00 H new ATOM 0 HA ASP A 283 4.773 -2.794 -31.172 1.00 0.00 H new ATOM 0 HB2 ASP A 283 5.418 -3.162 -33.526 1.00 0.00 H new ATOM 0 HB3 ASP A 283 3.980 -2.161 -33.472 1.00 0.00 H new ATOM 275 N LEU A 284 7.347 -3.156 -31.580 1.00 0.00 N ATOM 276 CA LEU A 284 8.772 -3.321 -31.326 1.00 0.00 C ATOM 277 C LEU A 284 9.309 -4.452 -32.182 1.00 0.00 C ATOM 278 O LEU A 284 9.732 -5.481 -31.662 1.00 0.00 O ATOM 279 CB LEU A 284 9.014 -3.667 -29.861 1.00 0.00 C ATOM 280 CG LEU A 284 10.502 -3.513 -29.533 1.00 0.00 C ATOM 281 CD1 LEU A 284 10.872 -2.029 -29.440 1.00 0.00 C ATOM 282 CD2 LEU A 284 10.798 -4.200 -28.197 1.00 0.00 C ATOM 0 H LEU A 284 6.876 -4.003 -31.898 1.00 0.00 H new ATOM 0 HA LEU A 284 9.278 -2.386 -31.568 1.00 0.00 H new ATOM 0 HB2 LEU A 284 8.421 -3.014 -29.220 1.00 0.00 H new ATOM 0 HB3 LEU A 284 8.691 -4.689 -29.661 1.00 0.00 H new ATOM 0 HG LEU A 284 11.093 -3.974 -30.324 1.00 0.00 H new ATOM 0 HD11 LEU A 284 11.932 -1.932 -29.206 1.00 0.00 H new ATOM 0 HD12 LEU A 284 10.664 -1.542 -30.393 1.00 0.00 H new ATOM 0 HD13 LEU A 284 10.283 -1.556 -28.655 1.00 0.00 H new ATOM 0 HD21 LEU A 284 11.856 -4.093 -27.959 1.00 0.00 H new ATOM 0 HD22 LEU A 284 10.201 -3.738 -27.410 1.00 0.00 H new ATOM 0 HD23 LEU A 284 10.548 -5.258 -28.269 1.00 0.00 H new ATOM 294 N SER A 285 9.280 -4.265 -33.492 1.00 0.00 N ATOM 295 CA SER A 285 9.759 -5.298 -34.394 1.00 0.00 C ATOM 296 C SER A 285 9.245 -6.665 -33.942 1.00 0.00 C ATOM 297 O SER A 285 8.432 -6.767 -33.024 1.00 0.00 O ATOM 298 CB SER A 285 11.293 -5.289 -34.430 1.00 0.00 C ATOM 299 OG SER A 285 11.783 -4.621 -33.275 1.00 0.00 O ATOM 0 H SER A 285 8.935 -3.421 -33.949 1.00 0.00 H new ATOM 0 HA SER A 285 9.384 -5.099 -35.398 1.00 0.00 H new ATOM 0 HB2 SER A 285 11.674 -6.310 -34.464 1.00 0.00 H new ATOM 0 HB3 SER A 285 11.645 -4.788 -35.332 1.00 0.00 H new ATOM 0 HG SER A 285 12.763 -4.614 -33.292 1.00 0.00 H new ATOM 305 N ASN A 286 9.720 -7.707 -34.601 1.00 0.00 N ATOM 306 CA ASN A 286 9.313 -9.070 -34.277 1.00 0.00 C ATOM 307 C ASN A 286 9.855 -9.502 -32.916 1.00 0.00 C ATOM 308 O ASN A 286 9.396 -10.489 -32.341 1.00 0.00 O ATOM 309 CB ASN A 286 9.814 -10.031 -35.356 1.00 0.00 C ATOM 310 CG ASN A 286 9.098 -11.373 -35.235 1.00 0.00 C ATOM 311 OD1 ASN A 286 7.873 -11.435 -35.339 1.00 0.00 O ATOM 312 ND2 ASN A 286 9.793 -12.457 -35.020 1.00 0.00 N ATOM 0 H ASN A 286 10.390 -7.639 -35.367 1.00 0.00 H new ATOM 0 HA ASN A 286 8.224 -9.096 -34.236 1.00 0.00 H new ATOM 0 HB2 ASN A 286 9.639 -9.604 -36.344 1.00 0.00 H new ATOM 0 HB3 ASN A 286 10.890 -10.174 -35.256 1.00 0.00 H new ATOM 0 HD21 ASN A 286 9.321 -13.358 -34.938 1.00 0.00 H new ATOM 0 HD22 ASN A 286 10.808 -12.403 -34.934 1.00 0.00 H new ATOM 319 N VAL A 287 10.848 -8.773 -32.417 1.00 0.00 N ATOM 320 CA VAL A 287 11.461 -9.109 -31.133 1.00 0.00 C ATOM 321 C VAL A 287 10.431 -9.145 -30.008 1.00 0.00 C ATOM 322 O VAL A 287 10.725 -9.616 -28.909 1.00 0.00 O ATOM 323 CB VAL A 287 12.568 -8.107 -30.794 1.00 0.00 C ATOM 324 CG1 VAL A 287 13.662 -8.180 -31.861 1.00 0.00 C ATOM 325 CG2 VAL A 287 11.991 -6.691 -30.762 1.00 0.00 C ATOM 0 H VAL A 287 11.244 -7.953 -32.876 1.00 0.00 H new ATOM 0 HA VAL A 287 11.891 -10.106 -31.226 1.00 0.00 H new ATOM 0 HB VAL A 287 12.987 -8.350 -29.818 1.00 0.00 H new ATOM 0 HG11 VAL A 287 14.451 -7.467 -31.622 1.00 0.00 H new ATOM 0 HG12 VAL A 287 14.078 -9.187 -31.887 1.00 0.00 H new ATOM 0 HG13 VAL A 287 13.237 -7.937 -32.835 1.00 0.00 H new ATOM 0 HG21 VAL A 287 12.782 -5.981 -30.520 1.00 0.00 H new ATOM 0 HG22 VAL A 287 11.570 -6.447 -31.738 1.00 0.00 H new ATOM 0 HG23 VAL A 287 11.209 -6.634 -30.005 1.00 0.00 H new ATOM 335 N GLN A 288 9.226 -8.650 -30.274 1.00 0.00 N ATOM 336 CA GLN A 288 8.184 -8.648 -29.250 1.00 0.00 C ATOM 337 C GLN A 288 8.013 -10.046 -28.667 1.00 0.00 C ATOM 338 O GLN A 288 7.890 -10.204 -27.455 1.00 0.00 O ATOM 339 CB GLN A 288 6.858 -8.187 -29.859 1.00 0.00 C ATOM 340 CG GLN A 288 6.953 -6.709 -30.234 1.00 0.00 C ATOM 341 CD GLN A 288 5.725 -6.290 -31.035 1.00 0.00 C ATOM 342 OE1 GLN A 288 4.937 -7.137 -31.454 1.00 0.00 O ATOM 343 NE2 GLN A 288 5.519 -5.026 -31.279 1.00 0.00 N ATOM 0 H GLN A 288 8.949 -8.252 -31.171 1.00 0.00 H new ATOM 0 HA GLN A 288 8.479 -7.963 -28.455 1.00 0.00 H new ATOM 0 HB2 GLN A 288 6.625 -8.782 -30.742 1.00 0.00 H new ATOM 0 HB3 GLN A 288 6.047 -8.341 -29.148 1.00 0.00 H new ATOM 0 HG2 GLN A 288 7.033 -6.102 -29.332 1.00 0.00 H new ATOM 0 HG3 GLN A 288 7.856 -6.532 -30.819 1.00 0.00 H new ATOM 0 HE21 GLN A 288 6.174 -4.326 -30.930 1.00 0.00 H new ATOM 0 HE22 GLN A 288 4.703 -4.737 -31.818 1.00 0.00 H new ATOM 352 N SER A 289 8.040 -11.047 -29.545 1.00 0.00 N ATOM 353 CA SER A 289 7.908 -12.453 -29.149 1.00 0.00 C ATOM 354 C SER A 289 7.153 -12.630 -27.827 1.00 0.00 C ATOM 355 O SER A 289 7.404 -13.585 -27.092 1.00 0.00 O ATOM 356 CB SER A 289 9.298 -13.075 -29.019 1.00 0.00 C ATOM 357 OG SER A 289 9.172 -14.488 -28.918 1.00 0.00 O ATOM 0 H SER A 289 8.154 -10.910 -30.549 1.00 0.00 H new ATOM 0 HA SER A 289 7.328 -12.952 -29.925 1.00 0.00 H new ATOM 0 HB2 SER A 289 9.908 -12.813 -29.883 1.00 0.00 H new ATOM 0 HB3 SER A 289 9.805 -12.680 -28.139 1.00 0.00 H new ATOM 0 HG SER A 289 8.527 -14.709 -28.215 1.00 0.00 H new ATOM 363 N LYS A 290 6.230 -11.722 -27.526 1.00 0.00 N ATOM 364 CA LYS A 290 5.459 -11.817 -26.288 1.00 0.00 C ATOM 365 C LYS A 290 4.021 -11.355 -26.503 1.00 0.00 C ATOM 366 O LYS A 290 3.773 -10.359 -27.184 1.00 0.00 O ATOM 367 CB LYS A 290 6.116 -10.976 -25.191 1.00 0.00 C ATOM 368 CG LYS A 290 7.462 -11.599 -24.808 1.00 0.00 C ATOM 369 CD LYS A 290 8.081 -10.812 -23.651 1.00 0.00 C ATOM 370 CE LYS A 290 9.485 -11.345 -23.365 1.00 0.00 C ATOM 371 NZ LYS A 290 9.477 -12.834 -23.445 1.00 0.00 N ATOM 0 H LYS A 290 5.998 -10.921 -28.113 1.00 0.00 H new ATOM 0 HA LYS A 290 5.443 -12.862 -25.979 1.00 0.00 H new ATOM 0 HB2 LYS A 290 6.262 -9.954 -25.540 1.00 0.00 H new ATOM 0 HB3 LYS A 290 5.465 -10.925 -24.318 1.00 0.00 H new ATOM 0 HG2 LYS A 290 7.323 -12.641 -24.519 1.00 0.00 H new ATOM 0 HG3 LYS A 290 8.134 -11.593 -25.666 1.00 0.00 H new ATOM 0 HD2 LYS A 290 8.127 -9.752 -23.902 1.00 0.00 H new ATOM 0 HD3 LYS A 290 7.458 -10.902 -22.761 1.00 0.00 H new ATOM 0 HE2 LYS A 290 10.195 -10.935 -24.084 1.00 0.00 H new ATOM 0 HE3 LYS A 290 9.813 -11.025 -22.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 10.282 -13.215 -22.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 8.590 -13.198 -23.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 9.554 -13.129 -24.439 1.00 0.00 H new ATOM 385 N CYS A 291 3.077 -12.084 -25.915 1.00 0.00 N ATOM 386 CA CYS A 291 1.665 -11.740 -26.044 1.00 0.00 C ATOM 387 C CYS A 291 1.180 -10.972 -24.816 1.00 0.00 C ATOM 388 O CYS A 291 0.181 -10.256 -24.877 1.00 0.00 O ATOM 389 CB CYS A 291 0.833 -13.013 -26.211 1.00 0.00 C ATOM 390 SG CYS A 291 1.273 -13.823 -27.769 1.00 0.00 S ATOM 0 H CYS A 291 3.262 -12.911 -25.348 1.00 0.00 H new ATOM 0 HA CYS A 291 1.546 -11.106 -26.923 1.00 0.00 H new ATOM 0 HB2 CYS A 291 1.011 -13.689 -25.375 1.00 0.00 H new ATOM 0 HB3 CYS A 291 -0.229 -12.769 -26.203 1.00 0.00 H new ATOM 0 HG CYS A 291 0.568 -14.906 -27.909 1.00 0.00 H new ATOM 396 N GLY A 292 1.891 -11.131 -23.702 1.00 0.00 N ATOM 397 CA GLY A 292 1.518 -10.451 -22.465 1.00 0.00 C ATOM 398 C GLY A 292 2.249 -9.122 -22.321 1.00 0.00 C ATOM 399 O GLY A 292 1.660 -8.056 -22.500 1.00 0.00 O ATOM 0 H GLY A 292 2.721 -11.719 -23.631 1.00 0.00 H new ATOM 0 HA2 GLY A 292 0.442 -10.280 -22.452 1.00 0.00 H new ATOM 0 HA3 GLY A 292 1.749 -11.090 -21.613 1.00 0.00 H new ATOM 403 N SER A 293 3.535 -9.193 -21.988 1.00 0.00 N ATOM 404 CA SER A 293 4.343 -7.989 -21.813 1.00 0.00 C ATOM 405 C SER A 293 5.461 -7.928 -22.842 1.00 0.00 C ATOM 406 O SER A 293 5.961 -8.958 -23.296 1.00 0.00 O ATOM 407 CB SER A 293 4.944 -7.967 -20.408 1.00 0.00 C ATOM 408 OG SER A 293 3.896 -7.974 -19.449 1.00 0.00 O ATOM 0 H SER A 293 4.038 -10.067 -21.834 1.00 0.00 H new ATOM 0 HA SER A 293 3.696 -7.123 -21.951 1.00 0.00 H new ATOM 0 HB2 SER A 293 5.591 -8.832 -20.263 1.00 0.00 H new ATOM 0 HB3 SER A 293 5.564 -7.080 -20.279 1.00 0.00 H new ATOM 0 HG SER A 293 3.901 -7.129 -18.953 1.00 0.00 H new ATOM 414 N LYS A 294 5.852 -6.712 -23.200 1.00 0.00 N ATOM 415 CA LYS A 294 6.918 -6.517 -24.171 1.00 0.00 C ATOM 416 C LYS A 294 8.226 -6.214 -23.454 1.00 0.00 C ATOM 417 O LYS A 294 8.261 -5.422 -22.512 1.00 0.00 O ATOM 418 CB LYS A 294 6.569 -5.357 -25.108 1.00 0.00 C ATOM 419 CG LYS A 294 5.189 -5.584 -25.735 1.00 0.00 C ATOM 420 CD LYS A 294 5.221 -6.818 -26.640 1.00 0.00 C ATOM 421 CE LYS A 294 3.992 -6.813 -27.550 1.00 0.00 C ATOM 422 NZ LYS A 294 4.130 -5.729 -28.565 1.00 0.00 N ATOM 0 H LYS A 294 5.448 -5.850 -22.834 1.00 0.00 H new ATOM 0 HA LYS A 294 7.030 -7.430 -24.756 1.00 0.00 H new ATOM 0 HB2 LYS A 294 6.576 -4.418 -24.555 1.00 0.00 H new ATOM 0 HB3 LYS A 294 7.323 -5.272 -25.890 1.00 0.00 H new ATOM 0 HG2 LYS A 294 4.442 -5.716 -24.952 1.00 0.00 H new ATOM 0 HG3 LYS A 294 4.894 -4.707 -26.312 1.00 0.00 H new ATOM 0 HD2 LYS A 294 6.131 -6.819 -27.240 1.00 0.00 H new ATOM 0 HD3 LYS A 294 5.236 -7.725 -26.036 1.00 0.00 H new ATOM 0 HE2 LYS A 294 3.889 -7.779 -28.045 1.00 0.00 H new ATOM 0 HE3 LYS A 294 3.089 -6.660 -26.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 3.754 -6.058 -29.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 3.598 -4.891 -28.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 5.134 -5.481 -28.674 1.00 0.00 H new ATOM 436 N ASP A 295 9.295 -6.851 -23.906 1.00 0.00 N ATOM 437 CA ASP A 295 10.609 -6.652 -23.305 1.00 0.00 C ATOM 438 C ASP A 295 10.550 -6.845 -21.792 1.00 0.00 C ATOM 439 O ASP A 295 11.532 -6.596 -21.092 1.00 0.00 O ATOM 440 CB ASP A 295 11.119 -5.245 -23.623 1.00 0.00 C ATOM 441 CG ASP A 295 12.555 -5.090 -23.132 1.00 0.00 C ATOM 442 OD1 ASP A 295 13.119 -6.078 -22.690 1.00 0.00 O ATOM 443 OD2 ASP A 295 13.068 -3.987 -23.204 1.00 0.00 O ATOM 0 H ASP A 295 9.281 -7.509 -24.685 1.00 0.00 H new ATOM 0 HA ASP A 295 11.292 -7.392 -23.723 1.00 0.00 H new ATOM 0 HB2 ASP A 295 11.071 -5.066 -24.697 1.00 0.00 H new ATOM 0 HB3 ASP A 295 10.480 -4.501 -23.147 1.00 0.00 H new ATOM 448 N ASN A 296 9.395 -7.282 -21.296 1.00 0.00 N ATOM 449 CA ASN A 296 9.216 -7.502 -19.865 1.00 0.00 C ATOM 450 C ASN A 296 9.383 -6.199 -19.097 1.00 0.00 C ATOM 451 O ASN A 296 9.714 -6.197 -17.912 1.00 0.00 O ATOM 452 CB ASN A 296 10.221 -8.538 -19.353 1.00 0.00 C ATOM 453 CG ASN A 296 10.061 -9.844 -20.122 1.00 0.00 C ATOM 454 OD1 ASN A 296 8.938 -10.277 -20.384 1.00 0.00 O ATOM 455 ND2 ASN A 296 11.122 -10.501 -20.504 1.00 0.00 N ATOM 0 H ASN A 296 8.572 -7.490 -21.862 1.00 0.00 H new ATOM 0 HA ASN A 296 8.206 -7.878 -19.704 1.00 0.00 H new ATOM 0 HB2 ASN A 296 11.237 -8.160 -19.469 1.00 0.00 H new ATOM 0 HB3 ASN A 296 10.066 -8.712 -18.288 1.00 0.00 H new ATOM 0 HD21 ASN A 296 11.022 -11.375 -21.021 1.00 0.00 H new ATOM 0 HD22 ASN A 296 12.051 -10.141 -20.286 1.00 0.00 H new ATOM 462 N ILE A 297 9.115 -5.092 -19.780 1.00 0.00 N ATOM 463 CA ILE A 297 9.194 -3.773 -19.164 1.00 0.00 C ATOM 464 C ILE A 297 7.791 -3.199 -19.110 1.00 0.00 C ATOM 465 O ILE A 297 7.544 -2.149 -18.516 1.00 0.00 O ATOM 466 CB ILE A 297 10.114 -2.856 -19.974 1.00 0.00 C ATOM 467 CG1 ILE A 297 9.459 -2.516 -21.325 1.00 0.00 C ATOM 468 CG2 ILE A 297 11.441 -3.574 -20.228 1.00 0.00 C ATOM 469 CD1 ILE A 297 8.398 -1.414 -21.163 1.00 0.00 C ATOM 0 H ILE A 297 8.841 -5.082 -20.762 1.00 0.00 H new ATOM 0 HA ILE A 297 9.609 -3.853 -18.159 1.00 0.00 H new ATOM 0 HB ILE A 297 10.287 -1.936 -19.415 1.00 0.00 H new ATOM 0 HG12 ILE A 297 10.222 -2.189 -22.031 1.00 0.00 H new ATOM 0 HG13 ILE A 297 8.998 -3.410 -21.745 1.00 0.00 H new ATOM 0 HG21 ILE A 297 12.101 -2.926 -20.805 1.00 0.00 H new ATOM 0 HG22 ILE A 297 11.912 -3.816 -19.275 1.00 0.00 H new ATOM 0 HG23 ILE A 297 11.257 -4.492 -20.785 1.00 0.00 H new ATOM 0 HD11 ILE A 297 7.951 -1.194 -22.133 1.00 0.00 H new ATOM 0 HD12 ILE A 297 7.623 -1.753 -20.475 1.00 0.00 H new ATOM 0 HD13 ILE A 297 8.866 -0.513 -20.766 1.00 0.00 H new ATOM 481 N LYS A 298 6.876 -3.925 -19.743 1.00 0.00 N ATOM 482 CA LYS A 298 5.479 -3.535 -19.790 1.00 0.00 C ATOM 483 C LYS A 298 4.677 -4.335 -18.785 1.00 0.00 C ATOM 484 O LYS A 298 4.562 -5.553 -18.893 1.00 0.00 O ATOM 485 CB LYS A 298 4.935 -3.771 -21.202 1.00 0.00 C ATOM 486 CG LYS A 298 3.437 -3.479 -21.240 1.00 0.00 C ATOM 487 CD LYS A 298 2.912 -3.679 -22.663 1.00 0.00 C ATOM 488 CE LYS A 298 1.442 -3.260 -22.728 1.00 0.00 C ATOM 489 NZ LYS A 298 1.346 -1.774 -22.717 1.00 0.00 N ATOM 0 H LYS A 298 7.084 -4.795 -20.234 1.00 0.00 H new ATOM 0 HA LYS A 298 5.392 -2.478 -19.539 1.00 0.00 H new ATOM 0 HB2 LYS A 298 5.457 -3.131 -21.913 1.00 0.00 H new ATOM 0 HB3 LYS A 298 5.121 -4.802 -21.505 1.00 0.00 H new ATOM 0 HG2 LYS A 298 2.910 -4.139 -20.551 1.00 0.00 H new ATOM 0 HG3 LYS A 298 3.247 -2.457 -20.911 1.00 0.00 H new ATOM 0 HD2 LYS A 298 3.501 -3.089 -23.365 1.00 0.00 H new ATOM 0 HD3 LYS A 298 3.017 -4.723 -22.957 1.00 0.00 H new ATOM 0 HE2 LYS A 298 0.979 -3.658 -23.631 1.00 0.00 H new ATOM 0 HE3 LYS A 298 0.897 -3.676 -21.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 0.387 -1.486 -22.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 1.549 -1.420 -21.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 2.036 -1.377 -23.386 1.00 0.00 H new ATOM 503 N HIS A 299 4.120 -3.625 -17.817 1.00 0.00 N ATOM 504 CA HIS A 299 3.313 -4.241 -16.778 1.00 0.00 C ATOM 505 C HIS A 299 3.179 -3.289 -15.595 1.00 0.00 C ATOM 506 O HIS A 299 3.902 -2.298 -15.494 1.00 0.00 O ATOM 507 CB HIS A 299 3.945 -5.556 -16.321 1.00 0.00 C ATOM 508 CG HIS A 299 5.440 -5.410 -16.283 1.00 0.00 C ATOM 509 ND1 HIS A 299 6.068 -4.372 -15.611 1.00 0.00 N ATOM 510 CD2 HIS A 299 6.445 -6.166 -16.824 1.00 0.00 C ATOM 511 CE1 HIS A 299 7.394 -4.533 -15.764 1.00 0.00 C ATOM 512 NE2 HIS A 299 7.680 -5.613 -16.496 1.00 0.00 N ATOM 0 H HIS A 299 4.214 -2.613 -17.730 1.00 0.00 H new ATOM 0 HA HIS A 299 2.323 -4.453 -17.182 1.00 0.00 H new ATOM 0 HB2 HIS A 299 3.571 -5.827 -15.334 1.00 0.00 H new ATOM 0 HB3 HIS A 299 3.665 -6.361 -17.000 1.00 0.00 H new ATOM 0 HD2 HIS A 299 6.301 -7.058 -17.416 1.00 0.00 H new ATOM 0 HE1 HIS A 299 8.137 -3.870 -15.346 1.00 0.00 H new ATOM 0 HE2 HIS A 299 8.603 -5.958 -16.758 1.00 0.00 H new ATOM 521 N VAL A 300 2.246 -3.591 -14.711 1.00 0.00 N ATOM 522 CA VAL A 300 1.998 -2.758 -13.536 1.00 0.00 C ATOM 523 C VAL A 300 3.277 -2.483 -12.737 1.00 0.00 C ATOM 524 O VAL A 300 3.733 -1.344 -12.669 1.00 0.00 O ATOM 525 CB VAL A 300 0.960 -3.446 -12.638 1.00 0.00 C ATOM 526 CG1 VAL A 300 -0.035 -2.415 -12.098 1.00 0.00 C ATOM 527 CG2 VAL A 300 0.210 -4.490 -13.466 1.00 0.00 C ATOM 0 H VAL A 300 1.642 -4.410 -14.780 1.00 0.00 H new ATOM 0 HA VAL A 300 1.622 -1.796 -13.883 1.00 0.00 H new ATOM 0 HB VAL A 300 1.464 -3.923 -11.797 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -0.767 -2.914 -11.462 1.00 0.00 H new ATOM 0 HG12 VAL A 300 0.499 -1.664 -11.516 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -0.547 -1.932 -12.931 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -0.531 -4.987 -12.840 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -0.290 -4.001 -14.302 1.00 0.00 H new ATOM 0 HG23 VAL A 300 0.916 -5.228 -13.847 1.00 0.00 H new ATOM 537 N PRO A 301 3.846 -3.489 -12.121 1.00 0.00 N ATOM 538 CA PRO A 301 5.070 -3.312 -11.312 1.00 0.00 C ATOM 539 C PRO A 301 6.159 -2.601 -12.113 1.00 0.00 C ATOM 540 O PRO A 301 6.820 -3.208 -12.957 1.00 0.00 O ATOM 541 CB PRO A 301 5.456 -4.760 -10.986 1.00 0.00 C ATOM 542 CG PRO A 301 4.908 -5.590 -12.115 1.00 0.00 C ATOM 543 CD PRO A 301 4.020 -4.671 -12.959 1.00 0.00 C ATOM 0 HA PRO A 301 4.929 -2.694 -10.425 1.00 0.00 H new ATOM 0 HB2 PRO A 301 6.538 -4.869 -10.909 1.00 0.00 H new ATOM 0 HB3 PRO A 301 5.035 -5.072 -10.030 1.00 0.00 H new ATOM 0 HG2 PRO A 301 5.717 -6.003 -12.717 1.00 0.00 H new ATOM 0 HG3 PRO A 301 4.334 -6.433 -11.730 1.00 0.00 H new ATOM 0 HD2 PRO A 301 4.492 -4.422 -13.909 1.00 0.00 H new ATOM 0 HD3 PRO A 301 3.064 -5.141 -13.191 1.00 0.00 H new ATOM 551 N GLY A 302 6.331 -1.307 -11.850 1.00 0.00 N ATOM 552 CA GLY A 302 7.330 -0.514 -12.560 1.00 0.00 C ATOM 553 C GLY A 302 6.679 0.335 -13.652 1.00 0.00 C ATOM 554 O GLY A 302 7.360 1.053 -14.382 1.00 0.00 O ATOM 0 H GLY A 302 5.795 -0.789 -11.154 1.00 0.00 H new ATOM 0 HA2 GLY A 302 7.854 0.132 -11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 302 8.076 -1.174 -13.003 1.00 0.00 H new ATOM 558 N GLY A 303 5.354 0.251 -13.750 1.00 0.00 N ATOM 559 CA GLY A 303 4.612 1.021 -14.749 1.00 0.00 C ATOM 560 C GLY A 303 4.286 0.173 -15.976 1.00 0.00 C ATOM 561 O GLY A 303 5.170 -0.453 -16.561 1.00 0.00 O ATOM 0 H GLY A 303 4.773 -0.339 -13.154 1.00 0.00 H new ATOM 0 HA2 GLY A 303 3.688 1.397 -14.309 1.00 0.00 H new ATOM 0 HA3 GLY A 303 5.198 1.889 -15.050 1.00 0.00 H new ATOM 565 N GLY A 304 3.011 0.163 -16.366 1.00 0.00 N ATOM 566 CA GLY A 304 2.583 -0.608 -17.531 1.00 0.00 C ATOM 567 C GLY A 304 1.062 -0.647 -17.648 1.00 0.00 C ATOM 568 O GLY A 304 0.430 0.347 -18.010 1.00 0.00 O ATOM 0 H GLY A 304 2.264 0.675 -15.897 1.00 0.00 H new ATOM 0 HA2 GLY A 304 3.007 -0.170 -18.434 1.00 0.00 H new ATOM 0 HA3 GLY A 304 2.970 -1.625 -17.458 1.00 0.00 H new ATOM 572 N SER A 305 0.479 -1.810 -17.355 1.00 0.00 N ATOM 573 CA SER A 305 -0.971 -1.979 -17.445 1.00 0.00 C ATOM 574 C SER A 305 -1.529 -2.671 -16.203 1.00 0.00 C ATOM 575 O SER A 305 -1.275 -2.247 -15.076 1.00 0.00 O ATOM 576 CB SER A 305 -1.320 -2.804 -18.684 1.00 0.00 C ATOM 577 OG SER A 305 -0.623 -2.281 -19.808 1.00 0.00 O ATOM 0 H SER A 305 0.985 -2.644 -17.055 1.00 0.00 H new ATOM 0 HA SER A 305 -1.420 -0.989 -17.518 1.00 0.00 H new ATOM 0 HB2 SER A 305 -1.050 -3.848 -18.528 1.00 0.00 H new ATOM 0 HB3 SER A 305 -2.395 -2.776 -18.863 1.00 0.00 H new ATOM 0 HG SER A 305 -0.843 -2.809 -20.604 1.00 0.00 H new ATOM 583 N VAL A 306 -2.304 -3.731 -16.427 1.00 0.00 N ATOM 584 CA VAL A 306 -2.914 -4.481 -15.333 1.00 0.00 C ATOM 585 C VAL A 306 -3.005 -5.964 -15.686 1.00 0.00 C ATOM 586 O VAL A 306 -3.602 -6.750 -14.949 1.00 0.00 O ATOM 587 CB VAL A 306 -4.314 -3.937 -15.047 1.00 0.00 C ATOM 588 CG1 VAL A 306 -4.209 -2.499 -14.537 1.00 0.00 C ATOM 589 CG2 VAL A 306 -5.142 -3.963 -16.334 1.00 0.00 C ATOM 0 H VAL A 306 -2.524 -4.089 -17.357 1.00 0.00 H new ATOM 0 HA VAL A 306 -2.291 -4.367 -14.446 1.00 0.00 H new ATOM 0 HB VAL A 306 -4.797 -4.555 -14.290 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -5.207 -2.111 -14.333 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -3.618 -2.480 -13.621 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -3.726 -1.879 -15.293 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -6.141 -3.576 -16.132 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -4.659 -3.344 -17.090 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -5.217 -4.988 -16.698 1.00 0.00 H new ATOM 599 N GLN A 307 -2.424 -6.335 -16.822 1.00 0.00 N ATOM 600 CA GLN A 307 -2.461 -7.723 -17.275 1.00 0.00 C ATOM 601 C GLN A 307 -1.909 -8.671 -16.211 1.00 0.00 C ATOM 602 O GLN A 307 -2.446 -9.757 -15.996 1.00 0.00 O ATOM 603 CB GLN A 307 -1.640 -7.867 -18.557 1.00 0.00 C ATOM 604 CG GLN A 307 -0.310 -7.127 -18.396 1.00 0.00 C ATOM 605 CD GLN A 307 0.567 -7.362 -19.622 1.00 0.00 C ATOM 606 OE1 GLN A 307 0.285 -8.249 -20.427 1.00 0.00 O ATOM 607 NE2 GLN A 307 1.620 -6.616 -19.811 1.00 0.00 N ATOM 0 H GLN A 307 -1.924 -5.699 -17.444 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.501 -7.989 -17.464 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -1.459 -8.921 -18.769 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -2.194 -7.462 -19.404 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -0.491 -6.060 -18.267 1.00 0.00 H new ATOM 0 HG3 GLN A 307 0.203 -7.474 -17.499 1.00 0.00 H new ATOM 0 HE21 GLN A 307 1.851 -5.881 -19.142 1.00 0.00 H new ATOM 0 HE22 GLN A 307 2.212 -6.767 -20.628 1.00 0.00 H new ATOM 616 N ILE A 308 -0.835 -8.253 -15.549 1.00 0.00 N ATOM 617 CA ILE A 308 -0.215 -9.072 -14.507 1.00 0.00 C ATOM 618 C ILE A 308 -0.034 -8.249 -13.234 1.00 0.00 C ATOM 619 O ILE A 308 -0.478 -7.104 -13.166 1.00 0.00 O ATOM 620 CB ILE A 308 1.133 -9.615 -14.997 1.00 0.00 C ATOM 621 CG1 ILE A 308 2.111 -8.458 -15.247 1.00 0.00 C ATOM 622 CG2 ILE A 308 0.921 -10.376 -16.307 1.00 0.00 C ATOM 623 CD1 ILE A 308 2.747 -7.989 -13.932 1.00 0.00 C ATOM 0 H ILE A 308 -0.376 -7.357 -15.712 1.00 0.00 H new ATOM 0 HA ILE A 308 -0.866 -9.917 -14.283 1.00 0.00 H new ATOM 0 HB ILE A 308 1.546 -10.278 -14.237 1.00 0.00 H new ATOM 0 HG12 ILE A 308 2.890 -8.777 -15.939 1.00 0.00 H new ATOM 0 HG13 ILE A 308 1.586 -7.627 -15.719 1.00 0.00 H new ATOM 0 HG21 ILE A 308 1.876 -10.765 -16.661 1.00 0.00 H new ATOM 0 HG22 ILE A 308 0.232 -11.204 -16.139 1.00 0.00 H new ATOM 0 HG23 ILE A 308 0.504 -9.702 -17.056 1.00 0.00 H new ATOM 0 HD11 ILE A 308 3.436 -7.169 -14.133 1.00 0.00 H new ATOM 0 HD12 ILE A 308 1.967 -7.648 -13.252 1.00 0.00 H new ATOM 0 HD13 ILE A 308 3.291 -8.816 -13.476 1.00 0.00 H new ATOM 635 N VAL A 309 0.607 -8.830 -12.224 1.00 0.00 N ATOM 636 CA VAL A 309 0.822 -8.120 -10.969 1.00 0.00 C ATOM 637 C VAL A 309 1.751 -8.904 -10.047 1.00 0.00 C ATOM 638 O VAL A 309 2.052 -8.464 -8.938 1.00 0.00 O ATOM 639 CB VAL A 309 -0.517 -7.885 -10.266 1.00 0.00 C ATOM 640 CG1 VAL A 309 -1.100 -9.226 -9.820 1.00 0.00 C ATOM 641 CG2 VAL A 309 -0.300 -6.992 -9.041 1.00 0.00 C ATOM 0 H VAL A 309 0.982 -9.778 -12.249 1.00 0.00 H new ATOM 0 HA VAL A 309 1.289 -7.162 -11.198 1.00 0.00 H new ATOM 0 HB VAL A 309 -1.208 -7.398 -10.954 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -2.054 -9.060 -9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -1.254 -9.864 -10.691 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -0.409 -9.712 -9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -1.253 -6.824 -8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 309 0.391 -7.480 -8.353 1.00 0.00 H new ATOM 0 HG23 VAL A 309 0.117 -6.036 -9.357 1.00 0.00 H new ATOM 651 N TYR A 310 2.204 -10.067 -10.507 1.00 0.00 N ATOM 652 CA TYR A 310 3.099 -10.892 -9.702 1.00 0.00 C ATOM 653 C TYR A 310 4.551 -10.464 -9.899 1.00 0.00 C ATOM 654 O TYR A 310 5.470 -11.272 -9.770 1.00 0.00 O ATOM 655 CB TYR A 310 2.931 -12.375 -10.060 1.00 0.00 C ATOM 656 CG TYR A 310 2.560 -12.518 -11.517 1.00 0.00 C ATOM 657 CD1 TYR A 310 1.218 -12.449 -11.905 1.00 0.00 C ATOM 658 CD2 TYR A 310 3.557 -12.730 -12.477 1.00 0.00 C ATOM 659 CE1 TYR A 310 0.871 -12.593 -13.255 1.00 0.00 C ATOM 660 CE2 TYR A 310 3.211 -12.875 -13.825 1.00 0.00 C ATOM 661 CZ TYR A 310 1.867 -12.805 -14.214 1.00 0.00 C ATOM 662 OH TYR A 310 1.525 -12.949 -15.543 1.00 0.00 O ATOM 0 H TYR A 310 1.970 -10.455 -11.421 1.00 0.00 H new ATOM 0 HA TYR A 310 2.837 -10.754 -8.653 1.00 0.00 H new ATOM 0 HB2 TYR A 310 3.857 -12.913 -9.858 1.00 0.00 H new ATOM 0 HB3 TYR A 310 2.159 -12.823 -9.434 1.00 0.00 H new ATOM 0 HD1 TYR A 310 0.449 -12.285 -11.164 1.00 0.00 H new ATOM 0 HD2 TYR A 310 4.593 -12.782 -12.177 1.00 0.00 H new ATOM 0 HE1 TYR A 310 -0.165 -12.540 -13.555 1.00 0.00 H new ATOM 0 HE2 TYR A 310 3.980 -13.041 -14.565 1.00 0.00 H new ATOM 0 HH TYR A 310 2.335 -13.088 -16.076 1.00 0.00 H new ATOM 672 N LYS A 311 4.744 -9.183 -10.207 1.00 0.00 N ATOM 673 CA LYS A 311 6.084 -8.639 -10.416 1.00 0.00 C ATOM 674 C LYS A 311 7.010 -9.683 -11.033 1.00 0.00 C ATOM 675 O LYS A 311 7.944 -10.159 -10.389 1.00 0.00 O ATOM 676 CB LYS A 311 6.672 -8.150 -9.087 1.00 0.00 C ATOM 677 CG LYS A 311 6.291 -9.114 -7.961 1.00 0.00 C ATOM 678 CD LYS A 311 6.932 -8.647 -6.652 1.00 0.00 C ATOM 679 CE LYS A 311 6.145 -9.212 -5.469 1.00 0.00 C ATOM 680 NZ LYS A 311 4.791 -8.592 -5.431 1.00 0.00 N ATOM 0 H LYS A 311 3.991 -8.504 -10.317 1.00 0.00 H new ATOM 0 HA LYS A 311 6.000 -7.799 -11.105 1.00 0.00 H new ATOM 0 HB2 LYS A 311 7.757 -8.078 -9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 311 6.302 -7.150 -8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 311 5.207 -9.155 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 311 6.625 -10.123 -8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 311 7.969 -8.978 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 311 6.943 -7.558 -6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 311 6.058 -10.295 -5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 311 6.674 -9.012 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 4.450 -8.562 -4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 4.841 -7.625 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 4.135 -9.156 -6.008 1.00 0.00 H new ATOM 694 N PRO A 312 6.764 -10.040 -12.265 1.00 0.00 N ATOM 695 CA PRO A 312 7.592 -11.047 -12.988 1.00 0.00 C ATOM 696 C PRO A 312 9.086 -10.845 -12.747 1.00 0.00 C ATOM 697 O PRO A 312 9.761 -11.827 -12.483 1.00 0.00 O ATOM 698 CB PRO A 312 7.238 -10.809 -14.455 1.00 0.00 C ATOM 699 CG PRO A 312 5.849 -10.263 -14.441 1.00 0.00 C ATOM 700 CD PRO A 312 5.677 -9.523 -13.112 1.00 0.00 C ATOM 701 OXT PRO A 312 9.532 -9.714 -12.830 1.00 0.00 O ATOM 0 HA PRO A 312 7.390 -12.064 -12.653 1.00 0.00 H new ATOM 0 HB2 PRO A 312 7.932 -10.107 -14.918 1.00 0.00 H new ATOM 0 HB3 PRO A 312 7.291 -11.735 -15.028 1.00 0.00 H new ATOM 0 HG2 PRO A 312 5.691 -9.588 -15.282 1.00 0.00 H new ATOM 0 HG3 PRO A 312 5.117 -11.066 -14.534 1.00 0.00 H new ATOM 0 HD2 PRO A 312 5.755 -8.444 -13.245 1.00 0.00 H new ATOM 0 HD3 PRO A 312 4.700 -9.720 -12.670 1.00 0.00 H new TER 709 PRO A 312