USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=18 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 290 LYS NZ :NH3+ 174:sc= -1.61! (180deg=0) USER MOD Set 1.2: A 299 HIS : no HD1:sc= -14.4! C(o=-18!,f=-26!) USER MOD Set 1.3: A 310 TYR OH : rot 30:sc= -1.84! USER MOD Set 2.1: A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 307 GLN :FLIP amide:sc= -0.358 F(o=-4.3!,f=-0.36) USER MOD Single : A 267 LYS NZ :NH3+ 160:sc= -0.0503 (180deg=-0.476) USER MOD Single : A 268 HIS :FLIP no HD1:sc= -0.176 F(o=-1.2,f=-0.18) USER MOD Single : A 269 GLN :FLIP amide:sc= -11.4! C(o=-12!,f=-11!) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 279 ASN :FLIP amide:sc= -1.02 F(o=-3.8!,f=-1) USER MOD Single : A 280 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0289) USER MOD Single : A 281 LYS NZ :NH3+ 164:sc=-0.00842 (180deg=-0.319) USER MOD Single : A 285 SER OG : rot -170:sc= -0.0582 USER MOD Single : A 286 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 288 GLN :FLIP amide:sc= -0.477 F(o=-3.4!,f=-0.48) USER MOD Single : A 289 SER OG : rot 180:sc= 0 USER MOD Single : A 291 CYS SG : rot 180:sc= -0.1 USER MOD Single : A 293 SER OG : rot -60:sc= -3.54! USER MOD Single : A 294 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0216) USER MOD Single : A 296 ASN : amide:sc= -2.48! C(o=-2.5!,f=-12!) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.701) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 21.011 -23.102 -13.354 1.00 0.00 N ATOM 2 CA LYS A 267 19.831 -22.754 -12.570 1.00 0.00 C ATOM 3 C LYS A 267 18.580 -23.381 -13.176 1.00 0.00 C ATOM 4 O LYS A 267 18.491 -24.600 -13.312 1.00 0.00 O ATOM 5 CB LYS A 267 19.664 -21.235 -12.515 1.00 0.00 C ATOM 6 CG LYS A 267 20.841 -20.616 -11.758 1.00 0.00 C ATOM 7 CD LYS A 267 20.604 -19.114 -11.589 1.00 0.00 C ATOM 8 CE LYS A 267 21.826 -18.475 -10.928 1.00 0.00 C ATOM 9 NZ LYS A 267 22.979 -18.515 -11.871 1.00 0.00 N ATOM 0 HA LYS A 267 19.967 -23.140 -11.560 1.00 0.00 H new ATOM 0 HB2 LYS A 267 19.614 -20.828 -13.525 1.00 0.00 H new ATOM 0 HB3 LYS A 267 18.726 -20.980 -12.021 1.00 0.00 H new ATOM 0 HG2 LYS A 267 20.950 -21.090 -10.783 1.00 0.00 H new ATOM 0 HG3 LYS A 267 21.769 -20.790 -12.302 1.00 0.00 H new ATOM 0 HD2 LYS A 267 20.420 -18.653 -12.559 1.00 0.00 H new ATOM 0 HD3 LYS A 267 19.716 -18.941 -10.980 1.00 0.00 H new ATOM 0 HE2 LYS A 267 21.605 -17.444 -10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 267 22.075 -19.006 -10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 23.686 -17.808 -11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 23.409 -19.462 -11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 22.648 -18.303 -12.834 1.00 0.00 H new ATOM 23 N HIS A 268 17.614 -22.538 -13.532 1.00 0.00 N ATOM 24 CA HIS A 268 16.371 -23.020 -14.125 1.00 0.00 C ATOM 25 C HIS A 268 16.500 -23.124 -15.643 1.00 0.00 C ATOM 26 O HIS A 268 15.916 -24.012 -16.266 1.00 0.00 O ATOM 27 CB HIS A 268 15.222 -22.073 -13.779 1.00 0.00 C ATOM 28 CG HIS A 268 13.957 -22.572 -14.420 1.00 0.00 C ATOM 29 ND1 HIS A 268 13.494 -22.505 -15.712 1.00 0.00 N flip ATOM 30 CD2 HIS A 268 12.984 -23.251 -13.704 1.00 0.00 C flip ATOM 31 CE1 HIS A 268 12.255 -23.131 -15.798 1.00 0.00 C flip ATOM 32 NE2 HIS A 268 11.994 -23.564 -14.561 1.00 0.00 N flip ATOM 0 H HIS A 268 17.667 -21.525 -13.421 1.00 0.00 H new ATOM 0 HA HIS A 268 16.164 -24.010 -13.719 1.00 0.00 H new ATOM 0 HB2 HIS A 268 15.097 -22.014 -12.698 1.00 0.00 H new ATOM 0 HB3 HIS A 268 15.448 -21.066 -14.129 1.00 0.00 H new ATOM 0 HD2 HIS A 268 13.014 -23.486 -12.650 1.00 0.00 H new ATOM 0 HE1 HIS A 268 11.636 -23.243 -16.676 1.00 0.00 H new ATOM 0 HE2 HIS A 268 11.148 -24.070 -14.298 1.00 0.00 H new ATOM 41 N GLN A 269 17.251 -22.197 -16.231 1.00 0.00 N ATOM 42 CA GLN A 269 17.436 -22.176 -17.682 1.00 0.00 C ATOM 43 C GLN A 269 17.465 -23.594 -18.255 1.00 0.00 C ATOM 44 O GLN A 269 17.012 -23.821 -19.376 1.00 0.00 O ATOM 45 CB GLN A 269 18.736 -21.436 -18.065 1.00 0.00 C ATOM 46 CG GLN A 269 19.192 -20.520 -16.923 1.00 0.00 C ATOM 47 CD GLN A 269 18.170 -19.411 -16.697 1.00 0.00 C ATOM 48 OE1 GLN A 269 17.133 -19.320 -17.484 1.00 0.00 O flip ATOM 49 NE2 GLN A 269 18.324 -18.602 -15.784 1.00 0.00 N flip ATOM 0 H GLN A 269 17.739 -21.454 -15.731 1.00 0.00 H new ATOM 0 HA GLN A 269 16.587 -21.642 -18.109 1.00 0.00 H new ATOM 0 HB2 GLN A 269 19.519 -22.159 -18.293 1.00 0.00 H new ATOM 0 HB3 GLN A 269 18.573 -20.847 -18.968 1.00 0.00 H new ATOM 0 HG2 GLN A 269 19.317 -21.101 -16.009 1.00 0.00 H new ATOM 0 HG3 GLN A 269 20.163 -20.086 -17.161 1.00 0.00 H new ATOM 0 HE21 GLN A 269 19.135 -18.675 -15.170 1.00 0.00 H new ATOM 0 HE22 GLN A 269 17.641 -17.858 -15.641 1.00 0.00 H new ATOM 58 N PRO A 270 17.991 -24.542 -17.523 1.00 0.00 N ATOM 59 CA PRO A 270 18.065 -25.942 -18.015 1.00 0.00 C ATOM 60 C PRO A 270 17.168 -26.884 -17.217 1.00 0.00 C ATOM 61 O PRO A 270 17.599 -27.474 -16.227 1.00 0.00 O ATOM 62 CB PRO A 270 19.554 -26.309 -17.828 1.00 0.00 C ATOM 63 CG PRO A 270 20.164 -25.179 -17.044 1.00 0.00 C ATOM 64 CD PRO A 270 19.008 -24.363 -16.493 1.00 0.00 C ATOM 0 HA PRO A 270 17.720 -26.034 -19.045 1.00 0.00 H new ATOM 0 HB2 PRO A 270 19.659 -27.254 -17.296 1.00 0.00 H new ATOM 0 HB3 PRO A 270 20.050 -26.428 -18.791 1.00 0.00 H new ATOM 0 HG2 PRO A 270 20.789 -25.560 -16.237 1.00 0.00 H new ATOM 0 HG3 PRO A 270 20.803 -24.566 -17.680 1.00 0.00 H new ATOM 0 HD2 PRO A 270 18.675 -24.731 -15.523 1.00 0.00 H new ATOM 0 HD3 PRO A 270 19.275 -23.314 -16.361 1.00 0.00 H new ATOM 72 N GLY A 271 15.922 -27.031 -17.654 1.00 0.00 N ATOM 73 CA GLY A 271 14.996 -27.916 -16.965 1.00 0.00 C ATOM 74 C GLY A 271 15.599 -29.310 -16.845 1.00 0.00 C ATOM 75 O GLY A 271 15.447 -29.980 -15.823 1.00 0.00 O ATOM 0 H GLY A 271 15.536 -26.556 -18.470 1.00 0.00 H new ATOM 0 HA2 GLY A 271 14.772 -27.521 -15.974 1.00 0.00 H new ATOM 0 HA3 GLY A 271 14.053 -27.964 -17.510 1.00 0.00 H new ATOM 79 N GLY A 272 16.294 -29.732 -17.896 1.00 0.00 N ATOM 80 CA GLY A 272 16.932 -31.041 -17.907 1.00 0.00 C ATOM 81 C GLY A 272 18.052 -31.113 -16.875 1.00 0.00 C ATOM 82 O GLY A 272 18.226 -32.130 -16.202 1.00 0.00 O ATOM 0 H GLY A 272 16.429 -29.188 -18.748 1.00 0.00 H new ATOM 0 HA2 GLY A 272 16.191 -31.812 -17.698 1.00 0.00 H new ATOM 0 HA3 GLY A 272 17.334 -31.245 -18.899 1.00 0.00 H new ATOM 86 N GLY A 273 18.813 -30.029 -16.761 1.00 0.00 N ATOM 87 CA GLY A 273 19.919 -29.978 -15.811 1.00 0.00 C ATOM 88 C GLY A 273 19.450 -29.479 -14.450 1.00 0.00 C ATOM 89 O GLY A 273 19.101 -28.309 -14.293 1.00 0.00 O ATOM 0 H GLY A 273 18.686 -29.179 -17.311 1.00 0.00 H new ATOM 0 HA2 GLY A 273 20.359 -30.970 -15.706 1.00 0.00 H new ATOM 0 HA3 GLY A 273 20.701 -29.321 -16.193 1.00 0.00 H new ATOM 93 N LYS A 274 19.444 -30.374 -13.469 1.00 0.00 N ATOM 94 CA LYS A 274 19.016 -30.014 -12.123 1.00 0.00 C ATOM 95 C LYS A 274 19.894 -28.901 -11.560 1.00 0.00 C ATOM 96 O LYS A 274 19.414 -28.011 -10.857 1.00 0.00 O ATOM 97 CB LYS A 274 19.095 -31.239 -11.210 1.00 0.00 C ATOM 98 CG LYS A 274 18.181 -32.339 -11.752 1.00 0.00 C ATOM 99 CD LYS A 274 18.055 -33.458 -10.717 1.00 0.00 C ATOM 100 CE LYS A 274 19.418 -34.121 -10.512 1.00 0.00 C ATOM 101 NZ LYS A 274 19.228 -35.483 -9.939 1.00 0.00 N ATOM 0 H LYS A 274 19.728 -31.347 -13.579 1.00 0.00 H new ATOM 0 HA LYS A 274 17.987 -29.659 -12.170 1.00 0.00 H new ATOM 0 HB2 LYS A 274 20.122 -31.599 -11.155 1.00 0.00 H new ATOM 0 HB3 LYS A 274 18.797 -30.970 -10.197 1.00 0.00 H new ATOM 0 HG2 LYS A 274 17.197 -31.929 -11.980 1.00 0.00 H new ATOM 0 HG3 LYS A 274 18.585 -32.735 -12.684 1.00 0.00 H new ATOM 0 HD2 LYS A 274 17.690 -33.055 -9.773 1.00 0.00 H new ATOM 0 HD3 LYS A 274 17.326 -34.196 -11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 274 19.949 -34.185 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 274 20.031 -33.516 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 20.155 -35.933 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 18.738 -35.410 -9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 18.658 -36.058 -10.592 1.00 0.00 H new ATOM 115 N VAL A 275 21.186 -28.959 -11.874 1.00 0.00 N ATOM 116 CA VAL A 275 22.126 -27.951 -11.396 1.00 0.00 C ATOM 117 C VAL A 275 23.202 -27.684 -12.442 1.00 0.00 C ATOM 118 O VAL A 275 24.094 -26.862 -12.236 1.00 0.00 O ATOM 119 CB VAL A 275 22.777 -28.413 -10.092 1.00 0.00 C ATOM 120 CG1 VAL A 275 23.540 -29.718 -10.334 1.00 0.00 C ATOM 121 CG2 VAL A 275 23.751 -27.339 -9.602 1.00 0.00 C ATOM 0 H VAL A 275 21.603 -29.688 -12.453 1.00 0.00 H new ATOM 0 HA VAL A 275 21.576 -27.028 -11.214 1.00 0.00 H new ATOM 0 HB VAL A 275 22.005 -28.578 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 275 24.004 -30.046 -9.404 1.00 0.00 H new ATOM 0 HG12 VAL A 275 22.849 -30.484 -10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 275 24.312 -29.554 -11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 275 24.216 -27.667 -8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 275 24.522 -27.176 -10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 275 23.210 -26.409 -9.429 1.00 0.00 H new ATOM 131 N GLN A 276 23.103 -28.379 -13.568 1.00 0.00 N ATOM 132 CA GLN A 276 24.062 -28.205 -14.650 1.00 0.00 C ATOM 133 C GLN A 276 23.504 -27.192 -15.635 1.00 0.00 C ATOM 134 O GLN A 276 22.295 -27.138 -15.839 1.00 0.00 O ATOM 135 CB GLN A 276 24.291 -29.539 -15.359 1.00 0.00 C ATOM 136 CG GLN A 276 24.817 -30.566 -14.354 1.00 0.00 C ATOM 137 CD GLN A 276 24.976 -31.922 -15.029 1.00 0.00 C ATOM 138 OE1 GLN A 276 24.754 -32.047 -16.233 1.00 0.00 O ATOM 139 NE2 GLN A 276 25.341 -32.955 -14.319 1.00 0.00 N ATOM 0 H GLN A 276 22.372 -29.065 -13.755 1.00 0.00 H new ATOM 0 HA GLN A 276 25.012 -27.852 -14.249 1.00 0.00 H new ATOM 0 HB2 GLN A 276 23.360 -29.892 -15.803 1.00 0.00 H new ATOM 0 HB3 GLN A 276 25.004 -29.413 -16.173 1.00 0.00 H new ATOM 0 HG2 GLN A 276 25.775 -30.236 -13.952 1.00 0.00 H new ATOM 0 HG3 GLN A 276 24.130 -30.648 -13.512 1.00 0.00 H new ATOM 0 HE21 GLN A 276 25.524 -32.849 -13.321 1.00 0.00 H new ATOM 0 HE22 GLN A 276 25.443 -33.868 -14.762 1.00 0.00 H new ATOM 148 N ILE A 277 24.368 -26.374 -16.230 1.00 0.00 N ATOM 149 CA ILE A 277 23.890 -25.358 -17.165 1.00 0.00 C ATOM 150 C ILE A 277 24.044 -25.784 -18.615 1.00 0.00 C ATOM 151 O ILE A 277 25.145 -26.062 -19.089 1.00 0.00 O ATOM 152 CB ILE A 277 24.647 -24.045 -16.955 1.00 0.00 C ATOM 153 CG1 ILE A 277 26.137 -24.338 -16.762 1.00 0.00 C ATOM 154 CG2 ILE A 277 24.102 -23.330 -15.719 1.00 0.00 C ATOM 155 CD1 ILE A 277 26.936 -23.044 -16.925 1.00 0.00 C ATOM 0 H ILE A 277 25.378 -26.391 -16.087 1.00 0.00 H new ATOM 0 HA ILE A 277 22.828 -25.223 -16.961 1.00 0.00 H new ATOM 0 HB ILE A 277 24.513 -23.408 -17.829 1.00 0.00 H new ATOM 0 HG12 ILE A 277 26.310 -24.763 -15.773 1.00 0.00 H new ATOM 0 HG13 ILE A 277 26.470 -25.078 -17.490 1.00 0.00 H new ATOM 0 HG21 ILE A 277 24.643 -22.395 -15.571 1.00 0.00 H new ATOM 0 HG22 ILE A 277 23.042 -23.118 -15.859 1.00 0.00 H new ATOM 0 HG23 ILE A 277 24.232 -23.966 -14.844 1.00 0.00 H new ATOM 0 HD11 ILE A 277 27.997 -23.252 -16.788 1.00 0.00 H new ATOM 0 HD12 ILE A 277 26.772 -22.638 -17.923 1.00 0.00 H new ATOM 0 HD13 ILE A 277 26.609 -22.318 -16.180 1.00 0.00 H new ATOM 167 N ILE A 278 22.921 -25.767 -19.325 1.00 0.00 N ATOM 168 CA ILE A 278 22.901 -26.083 -20.742 1.00 0.00 C ATOM 169 C ILE A 278 22.441 -24.837 -21.475 1.00 0.00 C ATOM 170 O ILE A 278 21.269 -24.472 -21.399 1.00 0.00 O ATOM 171 CB ILE A 278 21.935 -27.238 -21.025 1.00 0.00 C ATOM 172 CG1 ILE A 278 22.280 -28.434 -20.131 1.00 0.00 C ATOM 173 CG2 ILE A 278 22.052 -27.652 -22.492 1.00 0.00 C ATOM 174 CD1 ILE A 278 23.767 -28.772 -20.272 1.00 0.00 C ATOM 0 H ILE A 278 22.007 -25.535 -18.935 1.00 0.00 H new ATOM 0 HA ILE A 278 23.893 -26.390 -21.074 1.00 0.00 H new ATOM 0 HB ILE A 278 20.916 -26.913 -20.816 1.00 0.00 H new ATOM 0 HG12 ILE A 278 22.047 -28.203 -19.092 1.00 0.00 H new ATOM 0 HG13 ILE A 278 21.673 -29.296 -20.410 1.00 0.00 H new ATOM 0 HG21 ILE A 278 21.365 -28.474 -22.694 1.00 0.00 H new ATOM 0 HG22 ILE A 278 21.802 -26.805 -23.130 1.00 0.00 H new ATOM 0 HG23 ILE A 278 23.073 -27.973 -22.699 1.00 0.00 H new ATOM 0 HD11 ILE A 278 24.009 -29.623 -19.635 1.00 0.00 H new ATOM 0 HD12 ILE A 278 23.986 -29.022 -21.310 1.00 0.00 H new ATOM 0 HD13 ILE A 278 24.366 -27.912 -19.972 1.00 0.00 H new ATOM 186 N ASN A 279 23.378 -24.179 -22.154 1.00 0.00 N ATOM 187 CA ASN A 279 23.091 -22.941 -22.879 1.00 0.00 C ATOM 188 C ASN A 279 21.793 -22.290 -22.397 1.00 0.00 C ATOM 189 O ASN A 279 21.712 -21.820 -21.261 1.00 0.00 O ATOM 190 CB ASN A 279 23.007 -23.213 -24.380 1.00 0.00 C ATOM 191 CG ASN A 279 22.924 -21.889 -25.126 1.00 0.00 C ATOM 192 OD1 ASN A 279 23.115 -20.777 -24.469 1.00 0.00 O flip ATOM 193 ND2 ASN A 279 22.678 -21.864 -26.332 1.00 0.00 N flip ATOM 0 H ASN A 279 24.349 -24.484 -22.218 1.00 0.00 H new ATOM 0 HA ASN A 279 23.909 -22.249 -22.680 1.00 0.00 H new ATOM 0 HB2 ASN A 279 23.881 -23.775 -24.709 1.00 0.00 H new ATOM 0 HB3 ASN A 279 22.133 -23.825 -24.602 1.00 0.00 H new ATOM 0 HD21 ASN A 279 22.530 -22.736 -26.840 1.00 0.00 H new ATOM 0 HD22 ASN A 279 22.623 -20.972 -26.823 1.00 0.00 H new ATOM 200 N LYS A 280 20.783 -22.269 -23.260 1.00 0.00 N ATOM 201 CA LYS A 280 19.496 -21.678 -22.907 1.00 0.00 C ATOM 202 C LYS A 280 19.703 -20.431 -22.057 1.00 0.00 C ATOM 203 O LYS A 280 18.816 -20.025 -21.306 1.00 0.00 O ATOM 204 CB LYS A 280 18.641 -22.687 -22.124 1.00 0.00 C ATOM 205 CG LYS A 280 18.682 -24.065 -22.800 1.00 0.00 C ATOM 206 CD LYS A 280 17.809 -24.071 -24.066 1.00 0.00 C ATOM 207 CE LYS A 280 18.454 -24.954 -25.139 1.00 0.00 C ATOM 208 NZ LYS A 280 18.402 -26.380 -24.708 1.00 0.00 N ATOM 0 H LYS A 280 20.829 -22.652 -24.204 1.00 0.00 H new ATOM 0 HA LYS A 280 18.981 -21.407 -23.829 1.00 0.00 H new ATOM 0 HB2 LYS A 280 19.008 -22.766 -21.101 1.00 0.00 H new ATOM 0 HB3 LYS A 280 17.611 -22.334 -22.067 1.00 0.00 H new ATOM 0 HG2 LYS A 280 19.710 -24.319 -23.059 1.00 0.00 H new ATOM 0 HG3 LYS A 280 18.331 -24.828 -22.105 1.00 0.00 H new ATOM 0 HD2 LYS A 280 16.812 -24.441 -23.829 1.00 0.00 H new ATOM 0 HD3 LYS A 280 17.691 -23.055 -24.442 1.00 0.00 H new ATOM 0 HE2 LYS A 280 17.932 -24.831 -26.088 1.00 0.00 H new ATOM 0 HE3 LYS A 280 19.488 -24.650 -25.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 18.778 -26.985 -25.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 18.975 -26.504 -23.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 17.417 -26.647 -24.509 1.00 0.00 H new ATOM 222 N LYS A 281 20.876 -19.826 -22.182 1.00 0.00 N ATOM 223 CA LYS A 281 21.190 -18.624 -21.424 1.00 0.00 C ATOM 224 C LYS A 281 20.133 -17.554 -21.678 1.00 0.00 C ATOM 225 O LYS A 281 19.907 -16.677 -20.843 1.00 0.00 O ATOM 226 CB LYS A 281 22.574 -18.100 -21.821 1.00 0.00 C ATOM 227 CG LYS A 281 23.014 -16.992 -20.857 1.00 0.00 C ATOM 228 CD LYS A 281 23.566 -17.610 -19.566 1.00 0.00 C ATOM 229 CE LYS A 281 24.247 -16.523 -18.732 1.00 0.00 C ATOM 230 NZ LYS A 281 23.260 -15.456 -18.406 1.00 0.00 N ATOM 0 H LYS A 281 21.623 -20.146 -22.799 1.00 0.00 H new ATOM 0 HA LYS A 281 21.196 -18.868 -20.362 1.00 0.00 H new ATOM 0 HB2 LYS A 281 23.298 -18.915 -21.806 1.00 0.00 H new ATOM 0 HB3 LYS A 281 22.547 -17.716 -22.841 1.00 0.00 H new ATOM 0 HG2 LYS A 281 23.776 -16.371 -21.327 1.00 0.00 H new ATOM 0 HG3 LYS A 281 22.170 -16.342 -20.627 1.00 0.00 H new ATOM 0 HD2 LYS A 281 22.759 -18.069 -18.995 1.00 0.00 H new ATOM 0 HD3 LYS A 281 24.278 -18.401 -19.804 1.00 0.00 H new ATOM 0 HE2 LYS A 281 24.651 -16.952 -17.815 1.00 0.00 H new ATOM 0 HE3 LYS A 281 25.087 -16.100 -19.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 23.628 -14.867 -17.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 23.099 -14.863 -19.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 22.362 -15.891 -18.113 1.00 0.00 H new ATOM 244 N LEU A 282 19.489 -17.632 -22.839 1.00 0.00 N ATOM 245 CA LEU A 282 18.457 -16.664 -23.196 1.00 0.00 C ATOM 246 C LEU A 282 17.358 -16.639 -22.139 1.00 0.00 C ATOM 247 O LEU A 282 16.706 -15.615 -21.932 1.00 0.00 O ATOM 248 CB LEU A 282 17.851 -17.024 -24.555 1.00 0.00 C ATOM 249 CG LEU A 282 18.956 -17.102 -25.612 1.00 0.00 C ATOM 250 CD1 LEU A 282 18.334 -17.386 -26.980 1.00 0.00 C ATOM 251 CD2 LEU A 282 19.712 -15.771 -25.664 1.00 0.00 C ATOM 0 H LEU A 282 19.661 -18.349 -23.543 1.00 0.00 H new ATOM 0 HA LEU A 282 18.915 -15.677 -23.252 1.00 0.00 H new ATOM 0 HB2 LEU A 282 17.330 -17.979 -24.489 1.00 0.00 H new ATOM 0 HB3 LEU A 282 17.112 -16.277 -24.843 1.00 0.00 H new ATOM 0 HG LEU A 282 19.648 -17.903 -25.352 1.00 0.00 H new ATOM 0 HD11 LEU A 282 19.120 -17.442 -27.733 1.00 0.00 H new ATOM 0 HD12 LEU A 282 17.797 -18.334 -26.946 1.00 0.00 H new ATOM 0 HD13 LEU A 282 17.641 -16.585 -27.238 1.00 0.00 H new ATOM 0 HD21 LEU A 282 20.498 -15.828 -26.417 1.00 0.00 H new ATOM 0 HD22 LEU A 282 19.020 -14.969 -25.922 1.00 0.00 H new ATOM 0 HD23 LEU A 282 20.157 -15.567 -24.690 1.00 0.00 H new ATOM 263 N ASP A 283 17.158 -17.770 -21.472 1.00 0.00 N ATOM 264 CA ASP A 283 16.136 -17.867 -20.436 1.00 0.00 C ATOM 265 C ASP A 283 16.593 -17.151 -19.167 1.00 0.00 C ATOM 266 O ASP A 283 17.791 -17.037 -18.905 1.00 0.00 O ATOM 267 CB ASP A 283 15.845 -19.336 -20.128 1.00 0.00 C ATOM 268 CG ASP A 283 15.143 -19.988 -21.313 1.00 0.00 C ATOM 269 OD1 ASP A 283 14.736 -19.263 -22.208 1.00 0.00 O ATOM 270 OD2 ASP A 283 15.020 -21.201 -21.311 1.00 0.00 O ATOM 0 H ASP A 283 17.687 -18.628 -21.629 1.00 0.00 H new ATOM 0 HA ASP A 283 15.226 -17.389 -20.798 1.00 0.00 H new ATOM 0 HB2 ASP A 283 16.775 -19.862 -19.911 1.00 0.00 H new ATOM 0 HB3 ASP A 283 15.221 -19.413 -19.238 1.00 0.00 H new ATOM 275 N LEU A 284 15.632 -16.665 -18.387 1.00 0.00 N ATOM 276 CA LEU A 284 15.943 -15.956 -17.156 1.00 0.00 C ATOM 277 C LEU A 284 15.890 -16.898 -15.968 1.00 0.00 C ATOM 278 O LEU A 284 15.193 -17.911 -15.999 1.00 0.00 O ATOM 279 CB LEU A 284 14.935 -14.833 -16.933 1.00 0.00 C ATOM 280 CG LEU A 284 14.811 -13.991 -18.197 1.00 0.00 C ATOM 281 CD1 LEU A 284 13.755 -12.910 -17.970 1.00 0.00 C ATOM 282 CD2 LEU A 284 16.161 -13.342 -18.502 1.00 0.00 C ATOM 0 H LEU A 284 14.635 -16.750 -18.587 1.00 0.00 H new ATOM 0 HA LEU A 284 16.948 -15.545 -17.247 1.00 0.00 H new ATOM 0 HB2 LEU A 284 13.964 -15.251 -16.667 1.00 0.00 H new ATOM 0 HB3 LEU A 284 15.252 -14.208 -16.098 1.00 0.00 H new ATOM 0 HG LEU A 284 14.515 -14.617 -19.039 1.00 0.00 H new ATOM 0 HD11 LEU A 284 13.658 -12.301 -18.869 1.00 0.00 H new ATOM 0 HD12 LEU A 284 12.797 -13.379 -17.744 1.00 0.00 H new ATOM 0 HD13 LEU A 284 14.055 -12.278 -17.134 1.00 0.00 H new ATOM 0 HD21 LEU A 284 16.079 -12.738 -19.406 1.00 0.00 H new ATOM 0 HD22 LEU A 284 16.456 -12.707 -17.667 1.00 0.00 H new ATOM 0 HD23 LEU A 284 16.912 -14.118 -18.651 1.00 0.00 H new ATOM 294 N SER A 285 16.611 -16.546 -14.915 1.00 0.00 N ATOM 295 CA SER A 285 16.614 -17.357 -13.712 1.00 0.00 C ATOM 296 C SER A 285 15.192 -17.475 -13.178 1.00 0.00 C ATOM 297 O SER A 285 14.237 -17.584 -13.947 1.00 0.00 O ATOM 298 CB SER A 285 17.513 -16.724 -12.651 1.00 0.00 C ATOM 299 OG SER A 285 17.787 -17.679 -11.634 1.00 0.00 O ATOM 0 H SER A 285 17.196 -15.712 -14.870 1.00 0.00 H new ATOM 0 HA SER A 285 16.998 -18.349 -13.951 1.00 0.00 H new ATOM 0 HB2 SER A 285 18.443 -16.382 -13.104 1.00 0.00 H new ATOM 0 HB3 SER A 285 17.026 -15.848 -12.221 1.00 0.00 H new ATOM 0 HG SER A 285 18.228 -17.236 -10.879 1.00 0.00 H new ATOM 305 N ASN A 286 15.054 -17.450 -11.866 1.00 0.00 N ATOM 306 CA ASN A 286 13.739 -17.553 -11.251 1.00 0.00 C ATOM 307 C ASN A 286 12.826 -16.429 -11.736 1.00 0.00 C ATOM 308 O ASN A 286 11.614 -16.472 -11.523 1.00 0.00 O ATOM 309 CB ASN A 286 13.870 -17.489 -9.729 1.00 0.00 C ATOM 310 CG ASN A 286 14.150 -16.056 -9.291 1.00 0.00 C ATOM 311 OD1 ASN A 286 15.271 -15.485 -9.641 1.00 0.00 O flip ATOM 312 ND2 ASN A 286 13.325 -15.438 -8.620 1.00 0.00 N flip ATOM 0 H ASN A 286 15.828 -17.360 -11.208 1.00 0.00 H new ATOM 0 HA ASN A 286 13.299 -18.508 -11.538 1.00 0.00 H new ATOM 0 HB2 ASN A 286 12.954 -17.849 -9.261 1.00 0.00 H new ATOM 0 HB3 ASN A 286 14.676 -18.144 -9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 286 12.450 -15.886 -8.348 1.00 0.00 H new ATOM 0 HD22 ASN A 286 13.516 -14.477 -8.336 1.00 0.00 H new ATOM 319 N VAL A 287 13.407 -15.428 -12.392 1.00 0.00 N ATOM 320 CA VAL A 287 12.618 -14.310 -12.899 1.00 0.00 C ATOM 321 C VAL A 287 11.636 -14.799 -13.956 1.00 0.00 C ATOM 322 O VAL A 287 10.513 -14.304 -14.058 1.00 0.00 O ATOM 323 CB VAL A 287 13.536 -13.245 -13.494 1.00 0.00 C ATOM 324 CG1 VAL A 287 12.696 -12.180 -14.202 1.00 0.00 C ATOM 325 CG2 VAL A 287 14.348 -12.590 -12.376 1.00 0.00 C ATOM 0 H VAL A 287 14.407 -15.368 -12.583 1.00 0.00 H new ATOM 0 HA VAL A 287 12.059 -13.872 -12.072 1.00 0.00 H new ATOM 0 HB VAL A 287 14.211 -13.711 -14.212 1.00 0.00 H new ATOM 0 HG11 VAL A 287 13.353 -11.421 -14.626 1.00 0.00 H new ATOM 0 HG12 VAL A 287 12.116 -12.645 -15.000 1.00 0.00 H new ATOM 0 HG13 VAL A 287 12.019 -11.715 -13.485 1.00 0.00 H new ATOM 0 HG21 VAL A 287 15.004 -11.830 -12.800 1.00 0.00 H new ATOM 0 HG22 VAL A 287 13.671 -12.126 -11.658 1.00 0.00 H new ATOM 0 HG23 VAL A 287 14.949 -13.347 -11.871 1.00 0.00 H new ATOM 335 N GLN A 288 12.073 -15.782 -14.733 1.00 0.00 N ATOM 336 CA GLN A 288 11.241 -16.352 -15.781 1.00 0.00 C ATOM 337 C GLN A 288 9.885 -16.768 -15.223 1.00 0.00 C ATOM 338 O GLN A 288 8.946 -17.030 -15.973 1.00 0.00 O ATOM 339 CB GLN A 288 11.942 -17.561 -16.396 1.00 0.00 C ATOM 340 CG GLN A 288 11.148 -18.048 -17.606 1.00 0.00 C ATOM 341 CD GLN A 288 11.945 -19.108 -18.355 1.00 0.00 C ATOM 342 OE1 GLN A 288 13.198 -19.301 -18.050 1.00 0.00 O flip ATOM 343 NE2 GLN A 288 11.415 -19.773 -19.244 1.00 0.00 N flip ATOM 0 H GLN A 288 13.000 -16.200 -14.656 1.00 0.00 H new ATOM 0 HA GLN A 288 11.082 -15.596 -16.550 1.00 0.00 H new ATOM 0 HB2 GLN A 288 12.955 -17.294 -16.696 1.00 0.00 H new ATOM 0 HB3 GLN A 288 12.028 -18.359 -15.659 1.00 0.00 H new ATOM 0 HG2 GLN A 288 10.192 -18.460 -17.283 1.00 0.00 H new ATOM 0 HG3 GLN A 288 10.927 -17.211 -18.268 1.00 0.00 H new ATOM 0 HE21 GLN A 288 10.435 -19.620 -19.480 1.00 0.00 H new ATOM 0 HE22 GLN A 288 11.956 -20.478 -19.745 1.00 0.00 H new ATOM 352 N SER A 289 9.796 -16.829 -13.900 1.00 0.00 N ATOM 353 CA SER A 289 8.556 -17.219 -13.243 1.00 0.00 C ATOM 354 C SER A 289 7.373 -16.462 -13.836 1.00 0.00 C ATOM 355 O SER A 289 6.248 -16.964 -13.854 1.00 0.00 O ATOM 356 CB SER A 289 8.655 -16.919 -11.749 1.00 0.00 C ATOM 357 OG SER A 289 7.492 -17.404 -11.092 1.00 0.00 O ATOM 0 H SER A 289 10.564 -16.614 -13.264 1.00 0.00 H new ATOM 0 HA SER A 289 8.400 -18.287 -13.397 1.00 0.00 H new ATOM 0 HB2 SER A 289 9.545 -17.389 -11.331 1.00 0.00 H new ATOM 0 HB3 SER A 289 8.756 -15.846 -11.588 1.00 0.00 H new ATOM 0 HG SER A 289 7.555 -17.214 -10.133 1.00 0.00 H new ATOM 363 N LYS A 290 7.633 -15.256 -14.325 1.00 0.00 N ATOM 364 CA LYS A 290 6.581 -14.444 -14.924 1.00 0.00 C ATOM 365 C LYS A 290 5.897 -15.220 -16.045 1.00 0.00 C ATOM 366 O LYS A 290 4.711 -15.025 -16.315 1.00 0.00 O ATOM 367 CB LYS A 290 7.179 -13.151 -15.480 1.00 0.00 C ATOM 368 CG LYS A 290 7.764 -12.326 -14.333 1.00 0.00 C ATOM 369 CD LYS A 290 8.307 -11.004 -14.880 1.00 0.00 C ATOM 370 CE LYS A 290 9.013 -10.241 -13.758 1.00 0.00 C ATOM 371 NZ LYS A 290 8.006 -9.484 -12.961 1.00 0.00 N ATOM 0 H LYS A 290 8.556 -14.821 -14.319 1.00 0.00 H new ATOM 0 HA LYS A 290 5.843 -14.199 -14.160 1.00 0.00 H new ATOM 0 HB2 LYS A 290 7.955 -13.381 -16.210 1.00 0.00 H new ATOM 0 HB3 LYS A 290 6.412 -12.577 -16.001 1.00 0.00 H new ATOM 0 HG2 LYS A 290 6.998 -12.134 -13.582 1.00 0.00 H new ATOM 0 HG3 LYS A 290 8.561 -12.883 -13.840 1.00 0.00 H new ATOM 0 HD2 LYS A 290 9.002 -11.194 -15.698 1.00 0.00 H new ATOM 0 HD3 LYS A 290 7.493 -10.404 -15.286 1.00 0.00 H new ATOM 0 HE2 LYS A 290 9.553 -10.936 -13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 290 9.750 -9.556 -14.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 8.471 -9.048 -12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 7.581 -8.742 -13.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 7.263 -10.134 -12.634 1.00 0.00 H new ATOM 385 N CYS A 291 6.659 -16.105 -16.686 1.00 0.00 N ATOM 386 CA CYS A 291 6.135 -16.923 -17.778 1.00 0.00 C ATOM 387 C CYS A 291 5.039 -16.186 -18.540 1.00 0.00 C ATOM 388 O CYS A 291 4.094 -16.801 -19.035 1.00 0.00 O ATOM 389 CB CYS A 291 5.577 -18.234 -17.223 1.00 0.00 C ATOM 390 SG CYS A 291 5.530 -19.476 -18.538 1.00 0.00 S ATOM 0 H CYS A 291 7.641 -16.274 -16.468 1.00 0.00 H new ATOM 0 HA CYS A 291 6.953 -17.132 -18.467 1.00 0.00 H new ATOM 0 HB2 CYS A 291 6.197 -18.585 -16.399 1.00 0.00 H new ATOM 0 HB3 CYS A 291 4.576 -18.075 -16.823 1.00 0.00 H new ATOM 0 HG CYS A 291 5.057 -20.591 -18.065 1.00 0.00 H new ATOM 396 N GLY A 292 5.169 -14.867 -18.628 1.00 0.00 N ATOM 397 CA GLY A 292 4.180 -14.060 -19.331 1.00 0.00 C ATOM 398 C GLY A 292 4.708 -12.657 -19.595 1.00 0.00 C ATOM 399 O GLY A 292 5.139 -12.339 -20.704 1.00 0.00 O ATOM 0 H GLY A 292 5.942 -14.338 -18.225 1.00 0.00 H new ATOM 0 HA2 GLY A 292 3.920 -14.538 -20.275 1.00 0.00 H new ATOM 0 HA3 GLY A 292 3.266 -14.003 -18.740 1.00 0.00 H new ATOM 403 N SER A 293 4.658 -11.822 -18.567 1.00 0.00 N ATOM 404 CA SER A 293 5.118 -10.446 -18.683 1.00 0.00 C ATOM 405 C SER A 293 6.560 -10.377 -19.176 1.00 0.00 C ATOM 406 O SER A 293 6.941 -9.427 -19.858 1.00 0.00 O ATOM 407 CB SER A 293 5.010 -9.758 -17.329 1.00 0.00 C ATOM 408 OG SER A 293 3.673 -9.858 -16.860 1.00 0.00 O ATOM 0 H SER A 293 4.304 -12.073 -17.644 1.00 0.00 H new ATOM 0 HA SER A 293 4.487 -9.939 -19.413 1.00 0.00 H new ATOM 0 HB2 SER A 293 5.693 -10.221 -16.617 1.00 0.00 H new ATOM 0 HB3 SER A 293 5.300 -8.711 -17.415 1.00 0.00 H new ATOM 0 HG SER A 293 3.069 -9.423 -17.497 1.00 0.00 H new ATOM 414 N LYS A 294 7.362 -11.382 -18.832 1.00 0.00 N ATOM 415 CA LYS A 294 8.757 -11.394 -19.261 1.00 0.00 C ATOM 416 C LYS A 294 8.853 -11.038 -20.737 1.00 0.00 C ATOM 417 O LYS A 294 9.933 -10.744 -21.249 1.00 0.00 O ATOM 418 CB LYS A 294 9.384 -12.765 -19.015 1.00 0.00 C ATOM 419 CG LYS A 294 8.704 -13.812 -19.896 1.00 0.00 C ATOM 420 CD LYS A 294 9.236 -15.195 -19.526 1.00 0.00 C ATOM 421 CE LYS A 294 8.799 -16.213 -20.582 1.00 0.00 C ATOM 422 NZ LYS A 294 9.703 -16.120 -21.763 1.00 0.00 N ATOM 0 H LYS A 294 7.077 -12.183 -18.269 1.00 0.00 H new ATOM 0 HA LYS A 294 9.303 -10.652 -18.678 1.00 0.00 H new ATOM 0 HB2 LYS A 294 10.451 -12.731 -19.233 1.00 0.00 H new ATOM 0 HB3 LYS A 294 9.282 -13.038 -17.965 1.00 0.00 H new ATOM 0 HG2 LYS A 294 7.623 -13.775 -19.758 1.00 0.00 H new ATOM 0 HG3 LYS A 294 8.899 -13.603 -20.948 1.00 0.00 H new ATOM 0 HD2 LYS A 294 10.324 -15.171 -19.458 1.00 0.00 H new ATOM 0 HD3 LYS A 294 8.861 -15.489 -18.546 1.00 0.00 H new ATOM 0 HE2 LYS A 294 8.828 -17.220 -20.166 1.00 0.00 H new ATOM 0 HE3 LYS A 294 7.769 -16.022 -20.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 9.166 -16.331 -22.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 10.096 -15.159 -21.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 10.479 -16.805 -21.661 1.00 0.00 H new ATOM 436 N ASP A 295 7.709 -11.051 -21.412 1.00 0.00 N ATOM 437 CA ASP A 295 7.668 -10.710 -22.825 1.00 0.00 C ATOM 438 C ASP A 295 8.475 -9.447 -23.061 1.00 0.00 C ATOM 439 O ASP A 295 9.170 -9.304 -24.066 1.00 0.00 O ATOM 440 CB ASP A 295 6.219 -10.458 -23.238 1.00 0.00 C ATOM 441 CG ASP A 295 6.119 -10.339 -24.754 1.00 0.00 C ATOM 442 OD1 ASP A 295 7.125 -10.541 -25.413 1.00 0.00 O ATOM 443 OD2 ASP A 295 5.035 -10.046 -25.235 1.00 0.00 O ATOM 0 H ASP A 295 6.805 -11.292 -21.005 1.00 0.00 H new ATOM 0 HA ASP A 295 8.085 -11.529 -23.411 1.00 0.00 H new ATOM 0 HB2 ASP A 295 5.586 -11.273 -22.887 1.00 0.00 H new ATOM 0 HB3 ASP A 295 5.853 -9.545 -22.769 1.00 0.00 H new ATOM 448 N ASN A 296 8.369 -8.544 -22.100 1.00 0.00 N ATOM 449 CA ASN A 296 9.070 -7.272 -22.135 1.00 0.00 C ATOM 450 C ASN A 296 8.701 -6.523 -20.872 1.00 0.00 C ATOM 451 O ASN A 296 8.876 -5.309 -20.764 1.00 0.00 O ATOM 452 CB ASN A 296 8.666 -6.458 -23.369 1.00 0.00 C ATOM 453 CG ASN A 296 7.271 -5.872 -23.180 1.00 0.00 C ATOM 454 OD1 ASN A 296 6.562 -6.246 -22.246 1.00 0.00 O ATOM 455 ND2 ASN A 296 6.832 -4.971 -24.016 1.00 0.00 N ATOM 0 H ASN A 296 7.791 -8.674 -21.270 1.00 0.00 H new ATOM 0 HA ASN A 296 10.146 -7.435 -22.193 1.00 0.00 H new ATOM 0 HB2 ASN A 296 9.385 -5.656 -23.536 1.00 0.00 H new ATOM 0 HB3 ASN A 296 8.685 -7.093 -24.255 1.00 0.00 H new ATOM 0 HD21 ASN A 296 5.900 -4.575 -23.896 1.00 0.00 H new ATOM 0 HD22 ASN A 296 7.421 -4.663 -24.789 1.00 0.00 H new ATOM 462 N ILE A 297 8.160 -7.286 -19.928 1.00 0.00 N ATOM 463 CA ILE A 297 7.719 -6.747 -18.658 1.00 0.00 C ATOM 464 C ILE A 297 6.607 -5.728 -18.868 1.00 0.00 C ATOM 465 O ILE A 297 6.669 -4.606 -18.368 1.00 0.00 O ATOM 466 CB ILE A 297 8.892 -6.115 -17.910 1.00 0.00 C ATOM 467 CG1 ILE A 297 9.909 -7.213 -17.570 1.00 0.00 C ATOM 468 CG2 ILE A 297 8.380 -5.449 -16.623 1.00 0.00 C ATOM 469 CD1 ILE A 297 11.145 -6.585 -16.924 1.00 0.00 C ATOM 0 H ILE A 297 8.018 -8.291 -20.026 1.00 0.00 H new ATOM 0 HA ILE A 297 7.326 -7.565 -18.054 1.00 0.00 H new ATOM 0 HB ILE A 297 9.370 -5.357 -18.531 1.00 0.00 H new ATOM 0 HG12 ILE A 297 9.462 -7.940 -16.892 1.00 0.00 H new ATOM 0 HG13 ILE A 297 10.193 -7.752 -18.474 1.00 0.00 H new ATOM 0 HG21 ILE A 297 9.216 -4.998 -16.089 1.00 0.00 H new ATOM 0 HG22 ILE A 297 7.653 -4.677 -16.877 1.00 0.00 H new ATOM 0 HG23 ILE A 297 7.907 -6.199 -15.989 1.00 0.00 H new ATOM 0 HD11 ILE A 297 11.866 -7.366 -16.683 1.00 0.00 H new ATOM 0 HD12 ILE A 297 11.597 -5.875 -17.617 1.00 0.00 H new ATOM 0 HD13 ILE A 297 10.854 -6.066 -16.011 1.00 0.00 H new ATOM 481 N LYS A 298 5.582 -6.141 -19.607 1.00 0.00 N ATOM 482 CA LYS A 298 4.442 -5.273 -19.875 1.00 0.00 C ATOM 483 C LYS A 298 3.530 -5.223 -18.656 1.00 0.00 C ATOM 484 O LYS A 298 2.349 -4.900 -18.766 1.00 0.00 O ATOM 485 CB LYS A 298 3.651 -5.797 -21.076 1.00 0.00 C ATOM 486 CG LYS A 298 2.974 -7.118 -20.700 1.00 0.00 C ATOM 487 CD LYS A 298 2.373 -7.756 -21.954 1.00 0.00 C ATOM 488 CE LYS A 298 1.317 -6.821 -22.549 1.00 0.00 C ATOM 489 NZ LYS A 298 0.326 -7.618 -23.326 1.00 0.00 N ATOM 0 H LYS A 298 5.518 -7.067 -20.029 1.00 0.00 H new ATOM 0 HA LYS A 298 4.811 -4.271 -20.096 1.00 0.00 H new ATOM 0 HB2 LYS A 298 2.902 -5.065 -21.380 1.00 0.00 H new ATOM 0 HB3 LYS A 298 4.316 -5.945 -21.927 1.00 0.00 H new ATOM 0 HG2 LYS A 298 3.698 -7.794 -20.246 1.00 0.00 H new ATOM 0 HG3 LYS A 298 2.194 -6.942 -19.959 1.00 0.00 H new ATOM 0 HD2 LYS A 298 3.156 -7.950 -22.687 1.00 0.00 H new ATOM 0 HD3 LYS A 298 1.924 -8.718 -21.706 1.00 0.00 H new ATOM 0 HE2 LYS A 298 0.814 -6.271 -21.754 1.00 0.00 H new ATOM 0 HE3 LYS A 298 1.792 -6.083 -23.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -0.391 -6.982 -23.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 0.812 -8.123 -24.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -0.136 -8.306 -22.697 1.00 0.00 H new ATOM 503 N HIS A 299 4.089 -5.575 -17.500 1.00 0.00 N ATOM 504 CA HIS A 299 3.328 -5.596 -16.254 1.00 0.00 C ATOM 505 C HIS A 299 3.593 -4.335 -15.418 1.00 0.00 C ATOM 506 O HIS A 299 4.666 -3.738 -15.498 1.00 0.00 O ATOM 507 CB HIS A 299 3.701 -6.855 -15.477 1.00 0.00 C ATOM 508 CG HIS A 299 5.064 -6.683 -14.864 1.00 0.00 C ATOM 509 ND1 HIS A 299 5.434 -5.562 -14.138 1.00 0.00 N ATOM 510 CD2 HIS A 299 6.163 -7.485 -14.890 1.00 0.00 C ATOM 511 CE1 HIS A 299 6.711 -5.727 -13.764 1.00 0.00 C ATOM 512 NE2 HIS A 299 7.206 -6.885 -14.196 1.00 0.00 N ATOM 0 H HIS A 299 5.066 -5.849 -17.401 1.00 0.00 H new ATOM 0 HA HIS A 299 2.262 -5.608 -16.481 1.00 0.00 H new ATOM 0 HB2 HIS A 299 2.962 -7.047 -14.699 1.00 0.00 H new ATOM 0 HB3 HIS A 299 3.696 -7.719 -16.141 1.00 0.00 H new ATOM 0 HD2 HIS A 299 6.216 -8.447 -15.378 1.00 0.00 H new ATOM 0 HE1 HIS A 299 7.270 -5.008 -13.183 1.00 0.00 H new ATOM 0 HE2 HIS A 299 8.146 -7.252 -14.049 1.00 0.00 H new ATOM 521 N VAL A 300 2.586 -3.925 -14.646 1.00 0.00 N ATOM 522 CA VAL A 300 2.673 -2.713 -13.821 1.00 0.00 C ATOM 523 C VAL A 300 3.746 -2.776 -12.720 1.00 0.00 C ATOM 524 O VAL A 300 4.371 -1.758 -12.423 1.00 0.00 O ATOM 525 CB VAL A 300 1.311 -2.432 -13.183 1.00 0.00 C ATOM 526 CG1 VAL A 300 1.439 -1.277 -12.188 1.00 0.00 C ATOM 527 CG2 VAL A 300 0.310 -2.051 -14.278 1.00 0.00 C ATOM 0 H VAL A 300 1.695 -4.416 -14.573 1.00 0.00 H new ATOM 0 HA VAL A 300 2.970 -1.909 -14.494 1.00 0.00 H new ATOM 0 HB VAL A 300 0.963 -3.323 -12.660 1.00 0.00 H new ATOM 0 HG11 VAL A 300 0.468 -1.078 -11.734 1.00 0.00 H new ATOM 0 HG12 VAL A 300 2.155 -1.544 -11.411 1.00 0.00 H new ATOM 0 HG13 VAL A 300 1.786 -0.385 -12.709 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -0.662 -1.850 -13.828 1.00 0.00 H new ATOM 0 HG22 VAL A 300 0.661 -1.159 -14.798 1.00 0.00 H new ATOM 0 HG23 VAL A 300 0.218 -2.872 -14.989 1.00 0.00 H new ATOM 537 N PRO A 301 3.969 -3.908 -12.095 1.00 0.00 N ATOM 538 CA PRO A 301 4.988 -3.982 -11.011 1.00 0.00 C ATOM 539 C PRO A 301 6.289 -3.289 -11.411 1.00 0.00 C ATOM 540 O PRO A 301 7.174 -3.077 -10.582 1.00 0.00 O ATOM 541 CB PRO A 301 5.202 -5.481 -10.787 1.00 0.00 C ATOM 542 CG PRO A 301 3.953 -6.149 -11.269 1.00 0.00 C ATOM 543 CD PRO A 301 3.254 -5.184 -12.233 1.00 0.00 C ATOM 0 HA PRO A 301 4.658 -3.471 -10.106 1.00 0.00 H new ATOM 0 HB2 PRO A 301 6.073 -5.838 -11.337 1.00 0.00 H new ATOM 0 HB3 PRO A 301 5.379 -5.697 -9.733 1.00 0.00 H new ATOM 0 HG2 PRO A 301 4.190 -7.087 -11.771 1.00 0.00 H new ATOM 0 HG3 PRO A 301 3.301 -6.392 -10.430 1.00 0.00 H new ATOM 0 HD2 PRO A 301 3.300 -5.551 -13.258 1.00 0.00 H new ATOM 0 HD3 PRO A 301 2.199 -5.073 -11.981 1.00 0.00 H new ATOM 551 N GLY A 302 6.390 -2.934 -12.689 1.00 0.00 N ATOM 552 CA GLY A 302 7.578 -2.260 -13.199 1.00 0.00 C ATOM 553 C GLY A 302 7.216 -1.349 -14.368 1.00 0.00 C ATOM 554 O GLY A 302 7.825 -0.296 -14.562 1.00 0.00 O ATOM 0 H GLY A 302 5.666 -3.102 -13.387 1.00 0.00 H new ATOM 0 HA2 GLY A 302 8.041 -1.675 -12.404 1.00 0.00 H new ATOM 0 HA3 GLY A 302 8.313 -2.999 -13.520 1.00 0.00 H new ATOM 558 N GLY A 303 6.217 -1.765 -15.141 1.00 0.00 N ATOM 559 CA GLY A 303 5.770 -0.988 -16.292 1.00 0.00 C ATOM 560 C GLY A 303 4.804 -1.801 -17.144 1.00 0.00 C ATOM 561 O GLY A 303 5.221 -2.598 -17.986 1.00 0.00 O ATOM 0 H GLY A 303 5.703 -2.633 -14.992 1.00 0.00 H new ATOM 0 HA2 GLY A 303 5.284 -0.073 -15.953 1.00 0.00 H new ATOM 0 HA3 GLY A 303 6.630 -0.689 -16.892 1.00 0.00 H new ATOM 565 N GLY A 304 3.509 -1.602 -16.917 1.00 0.00 N ATOM 566 CA GLY A 304 2.490 -2.330 -17.664 1.00 0.00 C ATOM 567 C GLY A 304 1.171 -1.563 -17.679 1.00 0.00 C ATOM 568 O GLY A 304 1.126 -0.383 -17.333 1.00 0.00 O ATOM 0 H GLY A 304 3.143 -0.947 -16.226 1.00 0.00 H new ATOM 0 HA2 GLY A 304 2.831 -2.494 -18.686 1.00 0.00 H new ATOM 0 HA3 GLY A 304 2.339 -3.312 -17.217 1.00 0.00 H new ATOM 572 N SER A 305 0.096 -2.242 -18.082 1.00 0.00 N ATOM 573 CA SER A 305 -1.222 -1.611 -18.135 1.00 0.00 C ATOM 574 C SER A 305 -2.246 -2.415 -17.335 1.00 0.00 C ATOM 575 O SER A 305 -2.874 -3.334 -17.860 1.00 0.00 O ATOM 576 CB SER A 305 -1.685 -1.500 -19.588 1.00 0.00 C ATOM 577 OG SER A 305 -2.895 -0.754 -19.640 1.00 0.00 O ATOM 0 H SER A 305 0.111 -3.219 -18.374 1.00 0.00 H new ATOM 0 HA SER A 305 -1.142 -0.616 -17.696 1.00 0.00 H new ATOM 0 HB2 SER A 305 -0.918 -1.013 -20.190 1.00 0.00 H new ATOM 0 HB3 SER A 305 -1.838 -2.493 -20.010 1.00 0.00 H new ATOM 0 HG SER A 305 -3.194 -0.680 -20.570 1.00 0.00 H new ATOM 583 N VAL A 306 -2.416 -2.045 -16.067 1.00 0.00 N ATOM 584 CA VAL A 306 -3.372 -2.720 -15.190 1.00 0.00 C ATOM 585 C VAL A 306 -3.346 -4.232 -15.402 1.00 0.00 C ATOM 586 O VAL A 306 -4.253 -4.943 -14.969 1.00 0.00 O ATOM 587 CB VAL A 306 -4.784 -2.196 -15.458 1.00 0.00 C ATOM 588 CG1 VAL A 306 -5.659 -2.423 -14.224 1.00 0.00 C ATOM 589 CG2 VAL A 306 -4.720 -0.698 -15.769 1.00 0.00 C ATOM 0 H VAL A 306 -1.905 -1.282 -15.624 1.00 0.00 H new ATOM 0 HA VAL A 306 -3.087 -2.510 -14.159 1.00 0.00 H new ATOM 0 HB VAL A 306 -5.213 -2.728 -16.308 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -6.664 -2.049 -14.417 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -5.705 -3.489 -14.002 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -5.232 -1.893 -13.373 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -5.725 -0.323 -15.960 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -4.291 -0.168 -14.919 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -4.098 -0.535 -16.650 1.00 0.00 H new ATOM 599 N GLN A 307 -2.310 -4.719 -16.075 1.00 0.00 N ATOM 600 CA GLN A 307 -2.182 -6.149 -16.345 1.00 0.00 C ATOM 601 C GLN A 307 -0.962 -6.722 -15.629 1.00 0.00 C ATOM 602 O GLN A 307 0.173 -6.360 -15.940 1.00 0.00 O ATOM 603 CB GLN A 307 -2.033 -6.360 -17.853 1.00 0.00 C ATOM 604 CG GLN A 307 -2.018 -7.856 -18.185 1.00 0.00 C ATOM 605 CD GLN A 307 -1.289 -8.080 -19.504 1.00 0.00 C ATOM 606 OE1 GLN A 307 -0.215 -7.385 -19.769 1.00 0.00 O flip ATOM 607 NE2 GLN A 307 -1.703 -8.911 -20.313 1.00 0.00 N flip ATOM 0 H GLN A 307 -1.549 -4.149 -16.443 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.072 -6.661 -15.980 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -2.855 -5.873 -18.378 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -1.111 -5.894 -18.202 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -1.525 -8.411 -17.387 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -3.038 -8.234 -18.253 1.00 0.00 H new ATOM 0 HE21 GLN A 307 -2.542 -9.452 -20.104 1.00 0.00 H new ATOM 0 HE22 GLN A 307 -1.207 -9.058 -21.192 1.00 0.00 H new ATOM 616 N ILE A 308 -1.195 -7.629 -14.681 1.00 0.00 N ATOM 617 CA ILE A 308 -0.090 -8.250 -13.952 1.00 0.00 C ATOM 618 C ILE A 308 -0.243 -9.758 -13.893 1.00 0.00 C ATOM 619 O ILE A 308 -1.352 -10.280 -13.784 1.00 0.00 O ATOM 620 CB ILE A 308 -0.011 -7.727 -12.520 1.00 0.00 C ATOM 621 CG1 ILE A 308 -0.383 -6.243 -12.486 1.00 0.00 C ATOM 622 CG2 ILE A 308 1.417 -7.918 -12.008 1.00 0.00 C ATOM 623 CD1 ILE A 308 -1.890 -6.103 -12.282 1.00 0.00 C ATOM 0 H ILE A 308 -2.124 -7.946 -14.403 1.00 0.00 H new ATOM 0 HA ILE A 308 0.821 -7.993 -14.493 1.00 0.00 H new ATOM 0 HB ILE A 308 -0.708 -8.275 -11.886 1.00 0.00 H new ATOM 0 HG12 ILE A 308 0.152 -5.741 -11.680 1.00 0.00 H new ATOM 0 HG13 ILE A 308 -0.084 -5.760 -13.417 1.00 0.00 H new ATOM 0 HG21 ILE A 308 1.489 -7.549 -10.985 1.00 0.00 H new ATOM 0 HG22 ILE A 308 1.673 -8.977 -12.030 1.00 0.00 H new ATOM 0 HG23 ILE A 308 2.108 -7.364 -12.643 1.00 0.00 H new ATOM 0 HD11 ILE A 308 -2.157 -5.047 -12.257 1.00 0.00 H new ATOM 0 HD12 ILE A 308 -2.415 -6.591 -13.103 1.00 0.00 H new ATOM 0 HD13 ILE A 308 -2.175 -6.571 -11.340 1.00 0.00 H new ATOM 635 N VAL A 309 0.883 -10.450 -13.921 1.00 0.00 N ATOM 636 CA VAL A 309 0.870 -11.894 -13.823 1.00 0.00 C ATOM 637 C VAL A 309 0.491 -12.300 -12.401 1.00 0.00 C ATOM 638 O VAL A 309 -0.067 -13.375 -12.179 1.00 0.00 O ATOM 639 CB VAL A 309 2.246 -12.461 -14.174 1.00 0.00 C ATOM 640 CG1 VAL A 309 2.266 -13.966 -13.894 1.00 0.00 C ATOM 641 CG2 VAL A 309 2.538 -12.215 -15.657 1.00 0.00 C ATOM 0 H VAL A 309 1.811 -10.036 -14.010 1.00 0.00 H new ATOM 0 HA VAL A 309 0.138 -12.294 -14.525 1.00 0.00 H new ATOM 0 HB VAL A 309 3.006 -11.968 -13.567 1.00 0.00 H new ATOM 0 HG11 VAL A 309 3.247 -14.370 -14.144 1.00 0.00 H new ATOM 0 HG12 VAL A 309 2.060 -14.142 -12.838 1.00 0.00 H new ATOM 0 HG13 VAL A 309 1.506 -14.459 -14.500 1.00 0.00 H new ATOM 0 HG21 VAL A 309 3.519 -12.619 -15.907 1.00 0.00 H new ATOM 0 HG22 VAL A 309 1.778 -12.707 -16.264 1.00 0.00 H new ATOM 0 HG23 VAL A 309 2.525 -11.144 -15.857 1.00 0.00 H new ATOM 651 N TYR A 310 0.816 -11.434 -11.433 1.00 0.00 N ATOM 652 CA TYR A 310 0.520 -11.724 -10.031 1.00 0.00 C ATOM 653 C TYR A 310 0.003 -10.504 -9.262 1.00 0.00 C ATOM 654 O TYR A 310 -0.385 -10.630 -8.101 1.00 0.00 O ATOM 655 CB TYR A 310 1.783 -12.243 -9.346 1.00 0.00 C ATOM 656 CG TYR A 310 2.980 -11.483 -9.865 1.00 0.00 C ATOM 657 CD1 TYR A 310 3.094 -10.107 -9.624 1.00 0.00 C ATOM 658 CD2 TYR A 310 3.972 -12.149 -10.593 1.00 0.00 C ATOM 659 CE1 TYR A 310 4.195 -9.401 -10.111 1.00 0.00 C ATOM 660 CE2 TYR A 310 5.077 -11.442 -11.079 1.00 0.00 C ATOM 661 CZ TYR A 310 5.190 -10.067 -10.837 1.00 0.00 C ATOM 662 OH TYR A 310 6.279 -9.368 -11.317 1.00 0.00 O ATOM 0 H TYR A 310 1.278 -10.539 -11.595 1.00 0.00 H new ATOM 0 HA TYR A 310 -0.271 -12.473 -10.021 1.00 0.00 H new ATOM 0 HB2 TYR A 310 1.701 -12.121 -8.266 1.00 0.00 H new ATOM 0 HB3 TYR A 310 1.903 -13.309 -9.539 1.00 0.00 H new ATOM 0 HD1 TYR A 310 2.329 -9.593 -9.061 1.00 0.00 H new ATOM 0 HD2 TYR A 310 3.885 -13.209 -10.780 1.00 0.00 H new ATOM 0 HE1 TYR A 310 4.280 -8.340 -9.928 1.00 0.00 H new ATOM 0 HE2 TYR A 310 5.843 -11.956 -11.641 1.00 0.00 H new ATOM 0 HH TYR A 310 6.473 -8.615 -10.721 1.00 0.00 H new ATOM 672 N LYS A 311 0.018 -9.327 -9.880 1.00 0.00 N ATOM 673 CA LYS A 311 -0.438 -8.122 -9.185 1.00 0.00 C ATOM 674 C LYS A 311 0.474 -7.852 -7.979 1.00 0.00 C ATOM 675 O LYS A 311 0.486 -8.634 -7.028 1.00 0.00 O ATOM 676 CB LYS A 311 -1.880 -8.304 -8.700 1.00 0.00 C ATOM 677 CG LYS A 311 -2.721 -8.946 -9.806 1.00 0.00 C ATOM 678 CD LYS A 311 -4.186 -9.009 -9.364 1.00 0.00 C ATOM 679 CE LYS A 311 -4.894 -10.155 -10.090 1.00 0.00 C ATOM 680 NZ LYS A 311 -4.500 -10.151 -11.528 1.00 0.00 N ATOM 0 H LYS A 311 0.333 -9.180 -10.839 1.00 0.00 H new ATOM 0 HA LYS A 311 -0.399 -7.279 -9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 311 -1.897 -8.930 -7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 311 -2.304 -7.339 -8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 311 -2.632 -8.368 -10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 311 -2.352 -9.949 -10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 311 -4.245 -9.157 -8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 311 -4.683 -8.064 -9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 311 -4.630 -11.108 -9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 311 -5.975 -10.046 -9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 -5.229 -10.635 -12.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 -4.404 -9.170 -11.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 -3.592 -10.645 -11.640 1.00 0.00 H new ATOM 694 N PRO A 312 1.249 -6.790 -7.998 1.00 0.00 N ATOM 695 CA PRO A 312 2.176 -6.492 -6.864 1.00 0.00 C ATOM 696 C PRO A 312 1.436 -6.345 -5.536 1.00 0.00 C ATOM 697 O PRO A 312 1.666 -7.160 -4.659 1.00 0.00 O ATOM 698 CB PRO A 312 2.823 -5.176 -7.281 1.00 0.00 C ATOM 699 CG PRO A 312 1.761 -4.466 -8.041 1.00 0.00 C ATOM 700 CD PRO A 312 0.940 -5.551 -8.743 1.00 0.00 C ATOM 701 OXT PRO A 312 0.650 -5.419 -5.419 1.00 0.00 O ATOM 0 HA PRO A 312 2.894 -7.294 -6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 312 3.144 -4.599 -6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 312 3.707 -5.345 -7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 312 1.134 -3.874 -7.374 1.00 0.00 H new ATOM 0 HG3 PRO A 312 2.195 -3.777 -8.765 1.00 0.00 H new ATOM 0 HD2 PRO A 312 -0.126 -5.325 -8.712 1.00 0.00 H new ATOM 0 HD3 PRO A 312 1.216 -5.640 -9.794 1.00 0.00 H new TER 709 PRO A 312