USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 276 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 275 THR OG1 : rot 39:sc= 0.978 USER MOD Set 1.2: A 276 GLN : amide:sc= 0.182 K(o=1.2,f=-5.9!) USER MOD Set 2.1: A 265 ASN : amide:sc= -0.335 K(o=-2.2,f=-4.3!) USER MOD Set 2.2: A 269 ASN : amide:sc= -1.91! X(o=-2.2!,f=-2.2) USER MOD Single : A 250 HIS : no HD1:sc= -1.97 K(o=-2,f=-6.4!) USER MOD Single : A 251 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 252 GLN : amide:sc= -4.38! C(o=-4.4!,f=-13!) USER MOD Single : A 253 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 LYS NZ :NH3+ 151:sc= -0.159 (180deg=-1.31!) USER MOD Single : A 256 SER OG : rot 180:sc= 0 USER MOD Single : A 259 GLN : amide:sc= -1.29! K(o=-1.3!,f=-0.14) USER MOD Single : A 270 HIS : no HD1:sc= -11.6! C(o=-12!,f=-7.9!) USER MOD Single : A 271 MET CE :methyl -167:sc= -0.0437 (180deg=-0.116) USER MOD Single : A 272 LYS NZ :NH3+ -165:sc= -0.665 (180deg=-1.65!) USER MOD Single : A 279 SER OG : rot 44:sc= 0.324 USER MOD Single : A 280 TYR OH : rot 180:sc= 0 USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 282 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 285 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 286 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 248 -9.436 -0.715 32.767 1.00 0.00 N ATOM 2 CA GLY A 248 -8.382 -1.669 32.322 1.00 0.00 C ATOM 3 C GLY A 248 -8.076 -1.437 30.846 1.00 0.00 C ATOM 4 O GLY A 248 -6.938 -1.149 30.476 1.00 0.00 O ATOM 0 HA2 GLY A 248 -7.479 -1.533 32.917 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -8.716 -2.695 32.478 1.00 0.00 H new ATOM 10 N ILE A 249 -9.099 -1.564 30.006 1.00 0.00 N ATOM 11 CA ILE A 249 -8.927 -1.365 28.572 1.00 0.00 C ATOM 12 C ILE A 249 -8.740 0.116 28.257 1.00 0.00 C ATOM 13 O ILE A 249 -7.987 0.479 27.352 1.00 0.00 O ATOM 14 CB ILE A 249 -10.148 -1.899 27.821 1.00 0.00 C ATOM 15 CG1 ILE A 249 -10.146 -1.352 26.390 1.00 0.00 C ATOM 16 CG2 ILE A 249 -11.425 -1.452 28.537 1.00 0.00 C ATOM 17 CD1 ILE A 249 -11.197 -2.094 25.560 1.00 0.00 C ATOM 0 H ILE A 249 -10.049 -1.802 30.291 1.00 0.00 H new ATOM 0 HA ILE A 249 -8.038 -1.908 28.251 1.00 0.00 H new ATOM 0 HB ILE A 249 -10.110 -2.988 27.794 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -10.361 -0.283 26.397 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -9.160 -1.476 25.943 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -12.295 -1.833 28.001 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -11.427 -1.841 29.555 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -11.464 -0.363 28.565 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -11.197 -1.706 24.541 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -10.962 -3.158 25.543 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -12.182 -1.947 26.004 1.00 0.00 H new ATOM 23 N HIS A 250 -9.430 0.964 29.011 1.00 0.00 N ATOM 24 CA HIS A 250 -9.336 2.404 28.809 1.00 0.00 C ATOM 25 C HIS A 250 -7.876 2.846 28.775 1.00 0.00 C ATOM 26 O HIS A 250 -7.456 3.562 27.867 1.00 0.00 O ATOM 27 CB HIS A 250 -10.069 3.136 29.935 1.00 0.00 C ATOM 28 CG HIS A 250 -11.548 2.886 29.818 1.00 0.00 C ATOM 29 ND1 HIS A 250 -12.062 1.800 29.126 1.00 0.00 N ATOM 30 CD2 HIS A 250 -12.635 3.572 30.299 1.00 0.00 C ATOM 31 CE1 HIS A 250 -13.405 1.864 29.211 1.00 0.00 C ATOM 32 NE2 HIS A 250 -13.806 2.926 29.914 1.00 0.00 N ATOM 0 H HIS A 250 -10.057 0.681 29.764 1.00 0.00 H new ATOM 0 HA HIS A 250 -9.799 2.651 27.854 1.00 0.00 H new ATOM 0 HB2 HIS A 250 -9.707 2.791 30.903 1.00 0.00 H new ATOM 0 HB3 HIS A 250 -9.865 4.205 29.881 1.00 0.00 H new ATOM 0 HD2 HIS A 250 -12.589 4.476 30.887 1.00 0.00 H new ATOM 0 HE1 HIS A 250 -14.075 1.144 28.765 1.00 0.00 H new ATOM 0 HE2 HIS A 250 -14.765 3.204 30.124 1.00 0.00 H new ATOM 40 N LYS A 251 -7.109 2.412 29.770 1.00 0.00 N ATOM 41 CA LYS A 251 -5.696 2.769 29.843 1.00 0.00 C ATOM 42 C LYS A 251 -5.006 2.503 28.508 1.00 0.00 C ATOM 43 O LYS A 251 -4.456 3.412 27.888 1.00 0.00 O ATOM 44 CB LYS A 251 -5.007 1.956 30.941 1.00 0.00 C ATOM 45 CG LYS A 251 -5.571 2.358 32.304 1.00 0.00 C ATOM 46 CD LYS A 251 -5.500 1.162 33.257 1.00 0.00 C ATOM 47 CE LYS A 251 -5.822 1.620 34.681 1.00 0.00 C ATOM 48 NZ LYS A 251 -4.564 1.680 35.479 1.00 0.00 N ATOM 0 H LYS A 251 -7.438 1.818 30.531 1.00 0.00 H new ATOM 0 HA LYS A 251 -5.622 3.832 30.075 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -5.163 0.891 30.771 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -3.931 2.129 30.915 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -5.005 3.196 32.711 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -6.603 2.692 32.199 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -6.205 0.392 32.944 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -4.506 0.716 33.224 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -6.299 2.600 34.660 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -6.528 0.931 35.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -4.782 1.991 36.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -4.126 0.737 35.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -3.905 2.354 35.039 1.00 0.00 H new ATOM 62 N GLN A 252 -5.037 1.246 28.075 1.00 0.00 N ATOM 63 CA GLN A 252 -4.410 0.865 26.815 1.00 0.00 C ATOM 64 C GLN A 252 -5.340 1.152 25.641 1.00 0.00 C ATOM 65 O GLN A 252 -6.477 0.683 25.606 1.00 0.00 O ATOM 66 CB GLN A 252 -4.059 -0.626 26.838 1.00 0.00 C ATOM 67 CG GLN A 252 -2.585 -0.819 26.469 1.00 0.00 C ATOM 68 CD GLN A 252 -2.393 -0.627 24.968 1.00 0.00 C ATOM 69 OE1 GLN A 252 -3.049 0.220 24.362 1.00 0.00 O ATOM 70 NE2 GLN A 252 -1.529 -1.367 24.330 1.00 0.00 N ATOM 0 H GLN A 252 -5.487 0.479 28.575 1.00 0.00 H new ATOM 0 HA GLN A 252 -3.500 1.453 26.692 1.00 0.00 H new ATOM 0 HB2 GLN A 252 -4.252 -1.039 27.828 1.00 0.00 H new ATOM 0 HB3 GLN A 252 -4.693 -1.169 26.137 1.00 0.00 H new ATOM 0 HG2 GLN A 252 -1.968 -0.107 27.017 1.00 0.00 H new ATOM 0 HG3 GLN A 252 -2.256 -1.816 26.761 1.00 0.00 H new ATOM 0 HE21 GLN A 252 -0.987 -2.068 24.835 1.00 0.00 H new ATOM 0 HE22 GLN A 252 -1.396 -1.245 23.326 1.00 0.00 H new ATOM 79 N LYS A 253 -4.847 1.928 24.681 1.00 0.00 N ATOM 80 CA LYS A 253 -5.637 2.273 23.508 1.00 0.00 C ATOM 81 C LYS A 253 -5.067 1.603 22.262 1.00 0.00 C ATOM 82 O LYS A 253 -3.972 1.041 22.292 1.00 0.00 O ATOM 83 CB LYS A 253 -5.643 3.792 23.308 1.00 0.00 C ATOM 84 CG LYS A 253 -6.570 4.450 24.334 1.00 0.00 C ATOM 85 CD LYS A 253 -7.191 5.708 23.723 1.00 0.00 C ATOM 86 CE LYS A 253 -8.112 6.375 24.746 1.00 0.00 C ATOM 87 NZ LYS A 253 -8.894 7.456 24.081 1.00 0.00 N ATOM 0 H LYS A 253 -3.909 2.327 24.693 1.00 0.00 H new ATOM 0 HA LYS A 253 -6.656 1.921 23.666 1.00 0.00 H new ATOM 0 HB2 LYS A 253 -4.632 4.185 23.414 1.00 0.00 H new ATOM 0 HB3 LYS A 253 -5.975 4.033 22.298 1.00 0.00 H new ATOM 0 HG2 LYS A 253 -7.353 3.753 24.633 1.00 0.00 H new ATOM 0 HG3 LYS A 253 -6.011 4.707 25.234 1.00 0.00 H new ATOM 0 HD2 LYS A 253 -6.407 6.401 23.418 1.00 0.00 H new ATOM 0 HD3 LYS A 253 -7.754 5.449 22.826 1.00 0.00 H new ATOM 0 HE2 LYS A 253 -8.787 5.637 25.179 1.00 0.00 H new ATOM 0 HE3 LYS A 253 -7.524 6.788 25.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 -9.520 7.910 24.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 -8.242 8.165 23.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 -9.466 7.049 23.314 1.00 0.00 H new ATOM 101 N GLU A 254 -5.817 1.665 21.166 1.00 0.00 N ATOM 102 CA GLU A 254 -5.378 1.062 19.914 1.00 0.00 C ATOM 103 C GLU A 254 -4.649 2.088 19.052 1.00 0.00 C ATOM 104 O GLU A 254 -5.234 3.085 18.630 1.00 0.00 O ATOM 105 CB GLU A 254 -6.583 0.514 19.145 1.00 0.00 C ATOM 106 CG GLU A 254 -6.978 -0.848 19.716 1.00 0.00 C ATOM 107 CD GLU A 254 -8.482 -1.057 19.569 1.00 0.00 C ATOM 108 OE1 GLU A 254 -9.012 -0.690 18.533 1.00 0.00 O ATOM 109 OE2 GLU A 254 -9.081 -1.579 20.494 1.00 0.00 O ATOM 0 H GLU A 254 -6.727 2.124 21.120 1.00 0.00 H new ATOM 0 HA GLU A 254 -4.694 0.246 20.147 1.00 0.00 H new ATOM 0 HB2 GLU A 254 -7.421 1.208 19.219 1.00 0.00 H new ATOM 0 HB3 GLU A 254 -6.340 0.420 18.087 1.00 0.00 H new ATOM 0 HG2 GLU A 254 -6.440 -1.640 19.196 1.00 0.00 H new ATOM 0 HG3 GLU A 254 -6.695 -0.907 20.767 1.00 0.00 H new ATOM 116 N LYS A 255 -3.368 1.839 18.793 1.00 0.00 N ATOM 117 CA LYS A 255 -2.573 2.751 17.978 1.00 0.00 C ATOM 118 C LYS A 255 -2.888 2.563 16.499 1.00 0.00 C ATOM 119 O LYS A 255 -2.199 3.104 15.634 1.00 0.00 O ATOM 120 CB LYS A 255 -1.082 2.502 18.217 1.00 0.00 C ATOM 121 CG LYS A 255 -0.607 3.344 19.404 1.00 0.00 C ATOM 122 CD LYS A 255 -1.250 2.822 20.689 1.00 0.00 C ATOM 123 CE LYS A 255 -0.232 2.873 21.827 1.00 0.00 C ATOM 124 NZ LYS A 255 0.517 4.160 21.765 1.00 0.00 N ATOM 0 H LYS A 255 -2.862 1.021 19.132 1.00 0.00 H new ATOM 0 HA LYS A 255 -2.822 3.773 18.265 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -0.906 1.445 18.414 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -0.512 2.759 17.324 1.00 0.00 H new ATOM 0 HG2 LYS A 255 0.479 3.299 19.484 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -0.872 4.390 19.251 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -2.123 3.423 20.941 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -1.598 1.799 20.544 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -0.739 2.781 22.787 1.00 0.00 H new ATOM 0 HE3 LYS A 255 0.459 2.034 21.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 0.820 4.432 22.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 1.352 4.046 21.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -0.098 4.901 21.374 1.00 0.00 H new ATOM 138 N SER A 256 -3.931 1.791 16.214 1.00 0.00 N ATOM 139 CA SER A 256 -4.325 1.536 14.832 1.00 0.00 C ATOM 140 C SER A 256 -5.839 1.644 14.673 1.00 0.00 C ATOM 141 O SER A 256 -6.587 1.486 15.637 1.00 0.00 O ATOM 142 CB SER A 256 -3.862 0.142 14.409 1.00 0.00 C ATOM 143 OG SER A 256 -2.975 0.258 13.302 1.00 0.00 O ATOM 0 H SER A 256 -4.515 1.334 16.914 1.00 0.00 H new ATOM 0 HA SER A 256 -3.854 2.285 14.196 1.00 0.00 H new ATOM 0 HB2 SER A 256 -3.362 -0.356 15.240 1.00 0.00 H new ATOM 0 HB3 SER A 256 -4.721 -0.473 14.139 1.00 0.00 H new ATOM 0 HG SER A 256 -2.674 -0.634 13.029 1.00 0.00 H new ATOM 149 N ARG A 257 -6.279 1.912 13.447 1.00 0.00 N ATOM 150 CA ARG A 257 -7.705 2.038 13.162 1.00 0.00 C ATOM 151 C ARG A 257 -8.209 3.424 13.550 1.00 0.00 C ATOM 152 O ARG A 257 -9.308 3.824 13.166 1.00 0.00 O ATOM 153 CB ARG A 257 -8.496 0.972 13.927 1.00 0.00 C ATOM 154 CG ARG A 257 -7.710 -0.341 13.947 1.00 0.00 C ATOM 155 CD ARG A 257 -8.601 -1.479 13.446 1.00 0.00 C ATOM 156 NE ARG A 257 -9.048 -1.207 12.085 1.00 0.00 N ATOM 157 CZ ARG A 257 -8.257 -1.438 11.043 1.00 0.00 C ATOM 158 NH1 ARG A 257 -7.058 -1.916 11.229 1.00 0.00 N ATOM 159 NH2 ARG A 257 -8.680 -1.188 9.834 1.00 0.00 N ATOM 0 H ARG A 257 -5.672 2.046 12.638 1.00 0.00 H new ATOM 0 HA ARG A 257 -7.852 1.895 12.091 1.00 0.00 H new ATOM 0 HB2 ARG A 257 -8.686 1.308 14.946 1.00 0.00 H new ATOM 0 HB3 ARG A 257 -9.467 0.818 13.456 1.00 0.00 H new ATOM 0 HG2 ARG A 257 -6.824 -0.256 13.318 1.00 0.00 H new ATOM 0 HG3 ARG A 257 -7.364 -0.554 14.958 1.00 0.00 H new ATOM 0 HD2 ARG A 257 -8.052 -2.420 13.475 1.00 0.00 H new ATOM 0 HD3 ARG A 257 -9.463 -1.592 14.104 1.00 0.00 H new ATOM 0 HE ARG A 257 -9.984 -0.833 11.930 1.00 0.00 H new ATOM 0 HH11 ARG A 257 -6.728 -2.112 12.174 1.00 0.00 H new ATOM 0 HH12 ARG A 257 -6.450 -2.094 10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 257 -9.618 -0.815 9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 257 -8.072 -1.365 9.034 1.00 0.00 H new ATOM 173 N LEU A 258 -7.399 4.154 14.310 1.00 0.00 N ATOM 174 CA LEU A 258 -7.777 5.497 14.739 1.00 0.00 C ATOM 175 C LEU A 258 -7.578 6.496 13.603 1.00 0.00 C ATOM 176 O LEU A 258 -6.704 6.319 12.754 1.00 0.00 O ATOM 177 CB LEU A 258 -6.934 5.918 15.946 1.00 0.00 C ATOM 178 CG LEU A 258 -7.541 7.172 16.580 1.00 0.00 C ATOM 179 CD1 LEU A 258 -8.116 6.826 17.955 1.00 0.00 C ATOM 180 CD2 LEU A 258 -6.456 8.239 16.738 1.00 0.00 C ATOM 0 H LEU A 258 -6.485 3.843 14.639 1.00 0.00 H new ATOM 0 HA LEU A 258 -8.830 5.486 15.019 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -6.897 5.110 16.677 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -5.908 6.115 15.636 1.00 0.00 H new ATOM 0 HG LEU A 258 -8.337 7.551 15.939 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -8.548 7.720 18.404 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -8.889 6.066 17.845 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -7.321 6.445 18.596 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -6.887 9.132 17.189 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -5.661 7.857 17.378 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -6.046 8.489 15.759 1.00 0.00 H new ATOM 186 N GLN A 259 -8.393 7.546 13.594 1.00 0.00 N ATOM 187 CA GLN A 259 -8.297 8.564 12.557 1.00 0.00 C ATOM 188 C GLN A 259 -8.135 9.949 13.177 1.00 0.00 C ATOM 189 O GLN A 259 -8.398 10.144 14.364 1.00 0.00 O ATOM 190 CB GLN A 259 -9.548 8.542 11.679 1.00 0.00 C ATOM 191 CG GLN A 259 -9.191 9.019 10.270 1.00 0.00 C ATOM 192 CD GLN A 259 -10.444 9.504 9.549 1.00 0.00 C ATOM 193 OE1 GLN A 259 -10.591 9.289 8.345 1.00 0.00 O ATOM 194 NE2 GLN A 259 -11.362 10.147 10.216 1.00 0.00 N ATOM 0 H GLN A 259 -9.122 7.713 14.288 1.00 0.00 H new ATOM 0 HA GLN A 259 -7.422 8.346 11.945 1.00 0.00 H new ATOM 0 HB2 GLN A 259 -9.960 7.534 11.640 1.00 0.00 H new ATOM 0 HB3 GLN A 259 -10.317 9.184 12.108 1.00 0.00 H new ATOM 0 HG2 GLN A 259 -8.459 9.824 10.325 1.00 0.00 H new ATOM 0 HG3 GLN A 259 -8.730 8.207 9.708 1.00 0.00 H new ATOM 0 HE21 GLN A 259 -11.238 10.324 11.213 1.00 0.00 H new ATOM 0 HE22 GLN A 259 -12.204 10.473 9.741 1.00 0.00 H new ATOM 203 N GLY A 260 -7.700 10.907 12.364 1.00 0.00 N ATOM 204 CA GLY A 260 -7.506 12.271 12.841 1.00 0.00 C ATOM 205 C GLY A 260 -7.376 13.241 11.673 1.00 0.00 C ATOM 206 O GLY A 260 -7.378 12.831 10.512 1.00 0.00 O ATOM 0 H GLY A 260 -7.477 10.765 11.379 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -8.346 12.564 13.470 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -6.611 12.320 13.461 1.00 0.00 H new ATOM 210 N GLY A 261 -7.263 14.527 11.985 1.00 0.00 N ATOM 211 CA GLY A 261 -7.131 15.544 10.951 1.00 0.00 C ATOM 212 C GLY A 261 -5.690 15.637 10.468 1.00 0.00 C ATOM 213 O GLY A 261 -4.752 15.573 11.263 1.00 0.00 O ATOM 0 H GLY A 261 -7.260 14.888 12.939 1.00 0.00 H new ATOM 0 HA2 GLY A 261 -7.786 15.305 10.113 1.00 0.00 H new ATOM 0 HA3 GLY A 261 -7.452 16.510 11.341 1.00 0.00 H new ATOM 217 N VAL A 262 -5.523 15.789 9.161 1.00 0.00 N ATOM 218 CA VAL A 262 -4.189 15.889 8.581 1.00 0.00 C ATOM 219 C VAL A 262 -3.245 16.596 9.543 1.00 0.00 C ATOM 220 O VAL A 262 -2.077 16.227 9.663 1.00 0.00 O ATOM 221 CB VAL A 262 -4.241 16.658 7.261 1.00 0.00 C ATOM 222 CG1 VAL A 262 -4.695 15.721 6.141 1.00 0.00 C ATOM 223 CG2 VAL A 262 -5.228 17.820 7.385 1.00 0.00 C ATOM 0 H VAL A 262 -6.286 15.845 8.487 1.00 0.00 H new ATOM 0 HA VAL A 262 -3.820 14.880 8.394 1.00 0.00 H new ATOM 0 HB VAL A 262 -3.249 17.047 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 262 -4.732 16.270 5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 262 -3.991 14.894 6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 262 -5.686 15.331 6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 262 -5.265 18.368 6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 262 -6.220 17.432 7.618 1.00 0.00 H new ATOM 0 HG23 VAL A 262 -4.904 18.489 8.182 1.00 0.00 H new ATOM 227 N LEU A 263 -3.755 17.612 10.230 1.00 0.00 N ATOM 228 CA LEU A 263 -2.937 18.352 11.178 1.00 0.00 C ATOM 229 C LEU A 263 -2.055 17.390 11.962 1.00 0.00 C ATOM 230 O LEU A 263 -0.860 17.627 12.135 1.00 0.00 O ATOM 231 CB LEU A 263 -3.822 19.144 12.141 1.00 0.00 C ATOM 232 CG LEU A 263 -3.117 20.447 12.518 1.00 0.00 C ATOM 233 CD1 LEU A 263 -3.901 21.151 13.628 1.00 0.00 C ATOM 234 CD2 LEU A 263 -1.700 20.136 13.009 1.00 0.00 C ATOM 0 H LEU A 263 -4.718 17.937 10.149 1.00 0.00 H new ATOM 0 HA LEU A 263 -2.307 19.050 10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -4.784 19.359 11.676 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -4.025 18.555 13.035 1.00 0.00 H new ATOM 0 HG LEU A 263 -3.064 21.097 11.645 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -3.398 22.080 13.896 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -4.909 21.373 13.277 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -3.956 20.502 14.502 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -1.196 21.064 13.278 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -1.752 19.485 13.882 1.00 0.00 H new ATOM 0 HD23 LEU A 263 -1.142 19.637 12.217 1.00 0.00 H new ATOM 240 N VAL A 264 -2.651 16.295 12.426 1.00 0.00 N ATOM 241 CA VAL A 264 -1.901 15.298 13.177 1.00 0.00 C ATOM 242 C VAL A 264 -0.713 14.821 12.355 1.00 0.00 C ATOM 243 O VAL A 264 0.346 14.503 12.894 1.00 0.00 O ATOM 244 CB VAL A 264 -2.793 14.105 13.520 1.00 0.00 C ATOM 245 CG1 VAL A 264 -3.205 13.387 12.232 1.00 0.00 C ATOM 246 CG2 VAL A 264 -2.020 13.137 14.421 1.00 0.00 C ATOM 0 H VAL A 264 -3.639 16.079 12.296 1.00 0.00 H new ATOM 0 HA VAL A 264 -1.548 15.753 14.102 1.00 0.00 H new ATOM 0 HB VAL A 264 -3.685 14.454 14.040 1.00 0.00 H new ATOM 0 HG11 VAL A 264 -3.841 12.536 12.477 1.00 0.00 H new ATOM 0 HG12 VAL A 264 -3.753 14.077 11.590 1.00 0.00 H new ATOM 0 HG13 VAL A 264 -2.315 13.036 11.710 1.00 0.00 H new ATOM 0 HG21 VAL A 264 -2.653 12.285 14.668 1.00 0.00 H new ATOM 0 HG22 VAL A 264 -1.129 12.788 13.900 1.00 0.00 H new ATOM 0 HG23 VAL A 264 -1.727 13.649 15.338 1.00 0.00 H new ATOM 250 N ASN A 265 -0.901 14.778 11.040 1.00 0.00 N ATOM 251 CA ASN A 265 0.157 14.343 10.140 1.00 0.00 C ATOM 252 C ASN A 265 1.205 15.438 9.983 1.00 0.00 C ATOM 253 O ASN A 265 2.394 15.155 9.834 1.00 0.00 O ATOM 254 CB ASN A 265 -0.433 13.995 8.774 1.00 0.00 C ATOM 255 CG ASN A 265 0.522 13.082 8.012 1.00 0.00 C ATOM 256 OD1 ASN A 265 1.695 12.974 8.367 1.00 0.00 O ATOM 257 ND2 ASN A 265 0.086 12.417 6.978 1.00 0.00 N ATOM 0 H ASN A 265 -1.772 15.038 10.577 1.00 0.00 H new ATOM 0 HA ASN A 265 0.633 13.459 10.564 1.00 0.00 H new ATOM 0 HB2 ASN A 265 -1.397 13.503 8.900 1.00 0.00 H new ATOM 0 HB3 ASN A 265 -0.612 14.906 8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 265 0.718 11.805 6.461 1.00 0.00 H new ATOM 0 HD22 ASN A 265 -0.887 12.509 6.686 1.00 0.00 H new ATOM 264 N GLU A 266 0.759 16.691 10.017 1.00 0.00 N ATOM 265 CA GLU A 266 1.675 17.816 9.877 1.00 0.00 C ATOM 266 C GLU A 266 2.434 18.057 11.176 1.00 0.00 C ATOM 267 O GLU A 266 3.650 18.251 11.171 1.00 0.00 O ATOM 268 CB GLU A 266 0.912 19.083 9.498 1.00 0.00 C ATOM 269 CG GLU A 266 1.876 20.271 9.524 1.00 0.00 C ATOM 270 CD GLU A 266 1.173 21.527 9.017 1.00 0.00 C ATOM 271 OE1 GLU A 266 0.225 21.387 8.261 1.00 0.00 O ATOM 272 OE2 GLU A 266 1.592 22.609 9.392 1.00 0.00 O ATOM 0 H GLU A 266 -0.220 16.950 10.139 1.00 0.00 H new ATOM 0 HA GLU A 266 2.386 17.572 9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 266 0.473 18.976 8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 266 0.090 19.250 10.194 1.00 0.00 H new ATOM 0 HG2 GLU A 266 2.239 20.433 10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 266 2.747 20.057 8.904 1.00 0.00 H new ATOM 279 N ILE A 267 1.710 18.050 12.291 1.00 0.00 N ATOM 280 CA ILE A 267 2.328 18.271 13.587 1.00 0.00 C ATOM 281 C ILE A 267 3.141 17.053 14.000 1.00 0.00 C ATOM 282 O ILE A 267 4.265 17.183 14.451 1.00 0.00 O ATOM 283 CB ILE A 267 1.260 18.563 14.641 1.00 0.00 C ATOM 284 CG1 ILE A 267 1.939 19.023 15.935 1.00 0.00 C ATOM 285 CG2 ILE A 267 0.452 17.297 14.910 1.00 0.00 C ATOM 286 CD1 ILE A 267 0.908 19.691 16.847 1.00 0.00 C ATOM 0 H ILE A 267 0.702 17.895 12.320 1.00 0.00 H new ATOM 0 HA ILE A 267 2.994 19.131 13.509 1.00 0.00 H new ATOM 0 HB ILE A 267 0.594 19.347 14.280 1.00 0.00 H new ATOM 0 HG12 ILE A 267 2.391 18.171 16.443 1.00 0.00 H new ATOM 0 HG13 ILE A 267 2.744 19.722 15.707 1.00 0.00 H new ATOM 0 HG21 ILE A 267 -0.310 17.504 15.662 1.00 0.00 H new ATOM 0 HG22 ILE A 267 -0.028 16.969 13.988 1.00 0.00 H new ATOM 0 HG23 ILE A 267 1.116 16.512 15.273 1.00 0.00 H new ATOM 0 HD11 ILE A 267 1.393 20.017 17.767 1.00 0.00 H new ATOM 0 HD12 ILE A 267 0.477 20.553 16.338 1.00 0.00 H new ATOM 0 HD13 ILE A 267 0.118 18.979 17.086 1.00 0.00 H new ATOM 292 N LEU A 268 2.576 15.864 13.844 1.00 0.00 N ATOM 293 CA LEU A 268 3.304 14.658 14.211 1.00 0.00 C ATOM 294 C LEU A 268 4.308 14.285 13.124 1.00 0.00 C ATOM 295 O LEU A 268 5.314 13.633 13.392 1.00 0.00 O ATOM 296 CB LEU A 268 2.346 13.498 14.470 1.00 0.00 C ATOM 297 CG LEU A 268 2.894 12.664 15.625 1.00 0.00 C ATOM 298 CD1 LEU A 268 4.315 12.209 15.286 1.00 0.00 C ATOM 299 CD2 LEU A 268 2.924 13.518 16.898 1.00 0.00 C ATOM 0 H LEU A 268 1.638 15.709 13.475 1.00 0.00 H new ATOM 0 HA LEU A 268 3.849 14.862 15.133 1.00 0.00 H new ATOM 0 HB2 LEU A 268 1.352 13.875 14.713 1.00 0.00 H new ATOM 0 HB3 LEU A 268 2.244 12.884 13.575 1.00 0.00 H new ATOM 0 HG LEU A 268 2.258 11.794 15.785 1.00 0.00 H new ATOM 0 HD11 LEU A 268 4.712 11.613 16.108 1.00 0.00 H new ATOM 0 HD12 LEU A 268 4.297 11.608 14.377 1.00 0.00 H new ATOM 0 HD13 LEU A 268 4.949 13.082 15.132 1.00 0.00 H new ATOM 0 HD21 LEU A 268 3.315 12.925 17.725 1.00 0.00 H new ATOM 0 HD22 LEU A 268 3.564 14.386 16.739 1.00 0.00 H new ATOM 0 HD23 LEU A 268 1.914 13.851 17.136 1.00 0.00 H new ATOM 305 N ASN A 269 4.017 14.706 11.899 1.00 0.00 N ATOM 306 CA ASN A 269 4.884 14.429 10.753 1.00 0.00 C ATOM 307 C ASN A 269 6.296 14.023 11.183 1.00 0.00 C ATOM 308 O ASN A 269 6.912 13.149 10.574 1.00 0.00 O ATOM 309 CB ASN A 269 4.975 15.681 9.880 1.00 0.00 C ATOM 310 CG ASN A 269 4.799 15.310 8.411 1.00 0.00 C ATOM 311 OD1 ASN A 269 5.474 15.867 7.546 1.00 0.00 O ATOM 312 ND2 ASN A 269 3.928 14.399 8.076 1.00 0.00 N ATOM 0 H ASN A 269 3.182 15.245 11.670 1.00 0.00 H new ATOM 0 HA ASN A 269 4.448 13.597 10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 269 4.209 16.397 10.177 1.00 0.00 H new ATOM 0 HB3 ASN A 269 5.939 16.167 10.027 1.00 0.00 H new ATOM 0 HD21 ASN A 269 3.805 14.147 7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 269 3.370 13.939 8.795 1.00 0.00 H new ATOM 319 N HIS A 270 6.806 14.675 12.219 1.00 0.00 N ATOM 320 CA HIS A 270 8.150 14.393 12.713 1.00 0.00 C ATOM 321 C HIS A 270 8.290 12.927 13.116 1.00 0.00 C ATOM 322 O HIS A 270 8.773 12.107 12.335 1.00 0.00 O ATOM 323 CB HIS A 270 8.474 15.299 13.906 1.00 0.00 C ATOM 324 CG HIS A 270 7.542 16.482 13.916 1.00 0.00 C ATOM 325 ND1 HIS A 270 7.208 17.148 15.084 1.00 0.00 N ATOM 326 CD2 HIS A 270 6.857 17.123 12.913 1.00 0.00 C ATOM 327 CE1 HIS A 270 6.354 18.135 14.755 1.00 0.00 C ATOM 328 NE2 HIS A 270 6.114 18.166 13.445 1.00 0.00 N ATOM 0 H HIS A 270 6.311 15.403 12.734 1.00 0.00 H new ATOM 0 HA HIS A 270 8.857 14.594 11.908 1.00 0.00 H new ATOM 0 HB2 HIS A 270 8.376 14.740 14.836 1.00 0.00 H new ATOM 0 HB3 HIS A 270 9.508 15.639 13.846 1.00 0.00 H new ATOM 0 HD2 HIS A 270 6.892 16.855 11.867 1.00 0.00 H new ATOM 0 HE1 HIS A 270 5.916 18.819 15.467 1.00 0.00 H new ATOM 0 HE2 HIS A 270 5.512 18.818 12.941 1.00 0.00 H new ATOM 336 N MET A 271 7.871 12.602 14.334 1.00 0.00 N ATOM 337 CA MET A 271 7.966 11.227 14.814 1.00 0.00 C ATOM 338 C MET A 271 7.102 11.023 16.055 1.00 0.00 C ATOM 339 O MET A 271 6.578 11.980 16.625 1.00 0.00 O ATOM 340 CB MET A 271 9.423 10.890 15.145 1.00 0.00 C ATOM 341 CG MET A 271 9.928 11.824 16.247 1.00 0.00 C ATOM 342 SD MET A 271 9.909 10.952 17.833 1.00 0.00 S ATOM 343 CE MET A 271 9.392 12.353 18.856 1.00 0.00 C ATOM 0 H MET A 271 7.467 13.261 15.000 1.00 0.00 H new ATOM 0 HA MET A 271 7.606 10.565 14.026 1.00 0.00 H new ATOM 0 HB2 MET A 271 9.502 9.852 15.469 1.00 0.00 H new ATOM 0 HB3 MET A 271 10.042 10.994 14.254 1.00 0.00 H new ATOM 0 HG2 MET A 271 10.939 12.161 16.018 1.00 0.00 H new ATOM 0 HG3 MET A 271 9.300 12.713 16.301 1.00 0.00 H new ATOM 0 HE1 MET A 271 9.535 12.108 19.908 1.00 0.00 H new ATOM 0 HE2 MET A 271 9.990 13.229 18.603 1.00 0.00 H new ATOM 0 HE3 MET A 271 8.339 12.568 18.674 1.00 0.00 H new ATOM 350 N LYS A 272 6.963 9.766 16.467 1.00 0.00 N ATOM 351 CA LYS A 272 6.163 9.435 17.642 1.00 0.00 C ATOM 352 C LYS A 272 7.053 8.893 18.755 1.00 0.00 C ATOM 353 O LYS A 272 8.046 8.213 18.494 1.00 0.00 O ATOM 354 CB LYS A 272 5.109 8.390 17.274 1.00 0.00 C ATOM 355 CG LYS A 272 3.960 8.440 18.283 1.00 0.00 C ATOM 356 CD LYS A 272 2.736 9.082 17.626 1.00 0.00 C ATOM 357 CE LYS A 272 1.804 9.628 18.709 1.00 0.00 C ATOM 358 NZ LYS A 272 2.027 8.883 19.979 1.00 0.00 N ATOM 0 H LYS A 272 7.392 8.963 16.007 1.00 0.00 H new ATOM 0 HA LYS A 272 5.669 10.341 17.994 1.00 0.00 H new ATOM 0 HB2 LYS A 272 4.732 8.578 16.269 1.00 0.00 H new ATOM 0 HB3 LYS A 272 5.556 7.396 17.266 1.00 0.00 H new ATOM 0 HG2 LYS A 272 3.717 7.434 18.625 1.00 0.00 H new ATOM 0 HG3 LYS A 272 4.257 9.012 19.162 1.00 0.00 H new ATOM 0 HD2 LYS A 272 3.048 9.886 16.960 1.00 0.00 H new ATOM 0 HD3 LYS A 272 2.211 8.348 17.015 1.00 0.00 H new ATOM 0 HE2 LYS A 272 1.990 10.691 18.861 1.00 0.00 H new ATOM 0 HE3 LYS A 272 0.765 9.528 18.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 1.239 9.067 20.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 2.080 7.864 19.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 2.918 9.197 20.414 1.00 0.00 H new ATOM 372 N ARG A 273 6.691 9.196 19.998 1.00 0.00 N ATOM 373 CA ARG A 273 7.466 8.733 21.142 1.00 0.00 C ATOM 374 C ARG A 273 8.961 8.860 20.864 1.00 0.00 C ATOM 375 O ARG A 273 9.373 9.556 19.938 1.00 0.00 O ATOM 376 CB ARG A 273 7.124 7.274 21.449 1.00 0.00 C ATOM 377 CG ARG A 273 6.026 7.219 22.513 1.00 0.00 C ATOM 378 CD ARG A 273 6.662 7.114 23.900 1.00 0.00 C ATOM 379 NE ARG A 273 5.665 7.365 24.933 1.00 0.00 N ATOM 380 CZ ARG A 273 4.799 6.422 25.294 1.00 0.00 C ATOM 381 NH1 ARG A 273 4.832 5.251 24.720 1.00 0.00 N ATOM 382 NH2 ARG A 273 3.915 6.669 26.222 1.00 0.00 N ATOM 0 H ARG A 273 5.872 9.756 20.237 1.00 0.00 H new ATOM 0 HA ARG A 273 7.214 9.353 22.002 1.00 0.00 H new ATOM 0 HB2 ARG A 273 6.792 6.769 20.542 1.00 0.00 H new ATOM 0 HB3 ARG A 273 8.012 6.748 21.800 1.00 0.00 H new ATOM 0 HG2 ARG A 273 5.403 8.111 22.454 1.00 0.00 H new ATOM 0 HG3 ARG A 273 5.375 6.363 22.334 1.00 0.00 H new ATOM 0 HD2 ARG A 273 7.094 6.123 24.035 1.00 0.00 H new ATOM 0 HD3 ARG A 273 7.477 7.832 23.989 1.00 0.00 H new ATOM 0 HE ARG A 273 5.631 8.278 25.386 1.00 0.00 H new ATOM 0 HH11 ARG A 273 5.522 5.058 23.994 1.00 0.00 H new ATOM 0 HH12 ARG A 273 4.168 4.528 24.997 1.00 0.00 H new ATOM 0 HH21 ARG A 273 3.888 7.585 26.670 1.00 0.00 H new ATOM 0 HH22 ARG A 273 3.251 5.946 26.499 1.00 0.00 H new ATOM 396 N ALA A 274 9.769 8.181 21.673 1.00 0.00 N ATOM 397 CA ALA A 274 11.216 8.227 21.504 1.00 0.00 C ATOM 398 C ALA A 274 11.691 7.067 20.633 1.00 0.00 C ATOM 399 O ALA A 274 12.100 6.024 21.140 1.00 0.00 O ATOM 400 CB ALA A 274 11.904 8.160 22.869 1.00 0.00 C ATOM 0 H ALA A 274 9.449 7.597 22.446 1.00 0.00 H new ATOM 0 HA ALA A 274 11.476 9.165 21.013 1.00 0.00 H new ATOM 0 HB1 ALA A 274 12.985 8.195 22.734 1.00 0.00 H new ATOM 0 HB2 ALA A 274 11.587 9.006 23.478 1.00 0.00 H new ATOM 0 HB3 ALA A 274 11.631 7.231 23.369 1.00 0.00 H new ATOM 403 N THR A 275 11.633 7.260 19.318 1.00 0.00 N ATOM 404 CA THR A 275 12.059 6.223 18.384 1.00 0.00 C ATOM 405 C THR A 275 13.469 5.747 18.715 1.00 0.00 C ATOM 406 O THR A 275 13.862 4.640 18.345 1.00 0.00 O ATOM 407 CB THR A 275 12.022 6.763 16.952 1.00 0.00 C ATOM 408 OG1 THR A 275 12.571 8.072 16.927 1.00 0.00 O ATOM 409 CG2 THR A 275 10.576 6.802 16.455 1.00 0.00 C ATOM 0 H THR A 275 11.298 8.117 18.878 1.00 0.00 H new ATOM 0 HA THR A 275 11.375 5.379 18.472 1.00 0.00 H new ATOM 0 HB THR A 275 12.607 6.112 16.303 1.00 0.00 H new ATOM 0 HG1 THR A 275 13.338 8.117 17.535 1.00 0.00 H new ATOM 0 HG21 THR A 275 10.552 7.187 15.435 1.00 0.00 H new ATOM 0 HG22 THR A 275 10.158 5.796 16.473 1.00 0.00 H new ATOM 0 HG23 THR A 275 9.986 7.452 17.102 1.00 0.00 H new ATOM 414 N GLN A 276 14.228 6.586 19.412 1.00 0.00 N ATOM 415 CA GLN A 276 15.594 6.235 19.783 1.00 0.00 C ATOM 416 C GLN A 276 15.598 5.092 20.794 1.00 0.00 C ATOM 417 O GLN A 276 16.572 4.898 21.522 1.00 0.00 O ATOM 418 CB GLN A 276 16.308 7.451 20.386 1.00 0.00 C ATOM 419 CG GLN A 276 16.875 8.340 19.272 1.00 0.00 C ATOM 420 CD GLN A 276 15.828 9.354 18.827 1.00 0.00 C ATOM 421 OE1 GLN A 276 14.750 8.975 18.370 1.00 0.00 O ATOM 422 NE2 GLN A 276 16.084 10.628 18.935 1.00 0.00 N ATOM 0 H GLN A 276 13.924 7.506 19.729 1.00 0.00 H new ATOM 0 HA GLN A 276 16.120 5.916 18.883 1.00 0.00 H new ATOM 0 HB2 GLN A 276 15.612 8.023 20.999 1.00 0.00 H new ATOM 0 HB3 GLN A 276 17.113 7.120 21.042 1.00 0.00 H new ATOM 0 HG2 GLN A 276 17.766 8.858 19.627 1.00 0.00 H new ATOM 0 HG3 GLN A 276 17.180 7.725 18.425 1.00 0.00 H new ATOM 0 HE21 GLN A 276 16.979 10.938 19.314 1.00 0.00 H new ATOM 0 HE22 GLN A 276 15.390 11.315 18.640 1.00 0.00 H new ATOM 431 N ILE A 277 14.507 4.335 20.832 1.00 0.00 N ATOM 432 CA ILE A 277 14.402 3.211 21.756 1.00 0.00 C ATOM 433 C ILE A 277 15.756 2.514 21.900 1.00 0.00 C ATOM 434 O ILE A 277 16.168 1.761 21.017 1.00 0.00 O ATOM 435 CB ILE A 277 13.360 2.210 21.241 1.00 0.00 C ATOM 436 CG1 ILE A 277 11.978 2.578 21.790 1.00 0.00 C ATOM 437 CG2 ILE A 277 13.726 0.796 21.702 1.00 0.00 C ATOM 438 CD1 ILE A 277 11.986 2.503 23.320 1.00 0.00 C ATOM 0 H ILE A 277 13.689 4.477 20.239 1.00 0.00 H new ATOM 0 HA ILE A 277 14.092 3.587 22.731 1.00 0.00 H new ATOM 0 HB ILE A 277 13.342 2.243 20.152 1.00 0.00 H new ATOM 0 HG12 ILE A 277 11.705 3.583 21.468 1.00 0.00 H new ATOM 0 HG13 ILE A 277 11.225 1.900 21.388 1.00 0.00 H new ATOM 0 HG21 ILE A 277 12.983 0.089 21.333 1.00 0.00 H new ATOM 0 HG22 ILE A 277 14.707 0.528 21.310 1.00 0.00 H new ATOM 0 HG23 ILE A 277 13.749 0.763 22.791 1.00 0.00 H new ATOM 0 HD11 ILE A 277 11.000 2.766 23.702 1.00 0.00 H new ATOM 0 HD12 ILE A 277 12.238 1.490 23.633 1.00 0.00 H new ATOM 0 HD13 ILE A 277 12.726 3.200 23.715 1.00 0.00 H new ATOM 444 N PRO A 278 16.447 2.736 22.989 1.00 0.00 N ATOM 445 CA PRO A 278 17.766 2.098 23.238 1.00 0.00 C ATOM 446 C PRO A 278 17.583 0.663 23.715 1.00 0.00 C ATOM 447 O PRO A 278 17.951 -0.287 23.024 1.00 0.00 O ATOM 448 CB PRO A 278 18.389 2.972 24.324 1.00 0.00 C ATOM 449 CG PRO A 278 17.236 3.561 25.070 1.00 0.00 C ATOM 450 CD PRO A 278 16.050 3.616 24.101 1.00 0.00 C ATOM 0 HA PRO A 278 18.390 2.036 22.346 1.00 0.00 H new ATOM 0 HB2 PRO A 278 19.025 2.383 24.985 1.00 0.00 H new ATOM 0 HB3 PRO A 278 19.015 3.751 23.890 1.00 0.00 H new ATOM 0 HG2 PRO A 278 16.992 2.955 25.942 1.00 0.00 H new ATOM 0 HG3 PRO A 278 17.482 4.559 25.434 1.00 0.00 H new ATOM 0 HD2 PRO A 278 15.132 3.268 24.575 1.00 0.00 H new ATOM 0 HD3 PRO A 278 15.865 4.633 23.756 1.00 0.00 H new ATOM 458 N SER A 279 16.975 0.518 24.887 1.00 0.00 N ATOM 459 CA SER A 279 16.699 -0.790 25.441 1.00 0.00 C ATOM 460 C SER A 279 15.923 -0.643 26.734 1.00 0.00 C ATOM 461 O SER A 279 16.467 -0.270 27.774 1.00 0.00 O ATOM 462 CB SER A 279 17.979 -1.564 25.693 1.00 0.00 C ATOM 463 OG SER A 279 18.907 -0.739 26.384 1.00 0.00 O ATOM 0 H SER A 279 16.665 1.297 25.469 1.00 0.00 H new ATOM 0 HA SER A 279 16.105 -1.348 24.717 1.00 0.00 H new ATOM 0 HB2 SER A 279 17.766 -2.458 26.279 1.00 0.00 H new ATOM 0 HB3 SER A 279 18.407 -1.897 24.747 1.00 0.00 H new ATOM 0 HG SER A 279 18.445 -0.255 27.099 1.00 0.00 H new ATOM 469 N TYR A 280 14.647 -0.932 26.642 1.00 0.00 N ATOM 470 CA TYR A 280 13.749 -0.834 27.775 1.00 0.00 C ATOM 471 C TYR A 280 14.084 -1.870 28.847 1.00 0.00 C ATOM 472 O TYR A 280 14.607 -1.535 29.909 1.00 0.00 O ATOM 473 CB TYR A 280 12.318 -1.050 27.281 1.00 0.00 C ATOM 474 CG TYR A 280 12.354 -1.430 25.815 1.00 0.00 C ATOM 475 CD1 TYR A 280 13.115 -2.531 25.394 1.00 0.00 C ATOM 476 CD2 TYR A 280 11.631 -0.685 24.877 1.00 0.00 C ATOM 477 CE1 TYR A 280 13.152 -2.885 24.043 1.00 0.00 C ATOM 478 CE2 TYR A 280 11.667 -1.039 23.525 1.00 0.00 C ATOM 479 CZ TYR A 280 12.426 -2.141 23.106 1.00 0.00 C ATOM 480 OH TYR A 280 12.461 -2.488 21.771 1.00 0.00 O ATOM 0 H TYR A 280 14.199 -1.242 25.780 1.00 0.00 H new ATOM 0 HA TYR A 280 13.857 0.153 28.224 1.00 0.00 H new ATOM 0 HB2 TYR A 280 11.834 -1.835 27.862 1.00 0.00 H new ATOM 0 HB3 TYR A 280 11.731 -0.142 27.420 1.00 0.00 H new ATOM 0 HD1 TYR A 280 13.674 -3.107 26.117 1.00 0.00 H new ATOM 0 HD2 TYR A 280 11.045 0.164 25.197 1.00 0.00 H new ATOM 0 HE1 TYR A 280 13.740 -3.732 23.722 1.00 0.00 H new ATOM 0 HE2 TYR A 280 11.109 -0.463 22.802 1.00 0.00 H new ATOM 0 HH TYR A 280 11.901 -1.869 21.257 1.00 0.00 H new ATOM 490 N LYS A 281 13.754 -3.123 28.564 1.00 0.00 N ATOM 491 CA LYS A 281 13.996 -4.208 29.517 1.00 0.00 C ATOM 492 C LYS A 281 15.444 -4.678 29.510 1.00 0.00 C ATOM 493 O LYS A 281 16.085 -4.710 30.556 1.00 0.00 O ATOM 494 CB LYS A 281 13.086 -5.395 29.221 1.00 0.00 C ATOM 495 CG LYS A 281 12.929 -5.565 27.708 1.00 0.00 C ATOM 496 CD LYS A 281 13.075 -7.044 27.342 1.00 0.00 C ATOM 497 CE LYS A 281 11.836 -7.813 27.803 1.00 0.00 C ATOM 498 NZ LYS A 281 11.607 -8.975 26.898 1.00 0.00 N ATOM 0 H LYS A 281 13.320 -3.416 27.689 1.00 0.00 H new ATOM 0 HA LYS A 281 13.776 -3.805 30.506 1.00 0.00 H new ATOM 0 HB2 LYS A 281 13.504 -6.303 29.656 1.00 0.00 H new ATOM 0 HB3 LYS A 281 12.110 -5.240 29.682 1.00 0.00 H new ATOM 0 HG2 LYS A 281 11.955 -5.195 27.389 1.00 0.00 H new ATOM 0 HG3 LYS A 281 13.681 -4.974 27.185 1.00 0.00 H new ATOM 0 HD2 LYS A 281 13.202 -7.151 26.265 1.00 0.00 H new ATOM 0 HD3 LYS A 281 13.968 -7.458 27.811 1.00 0.00 H new ATOM 0 HE2 LYS A 281 11.970 -8.158 28.828 1.00 0.00 H new ATOM 0 HE3 LYS A 281 10.965 -7.157 27.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 10.765 -9.498 27.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 11.462 -8.635 25.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 12.435 -9.604 26.924 1.00 0.00 H new ATOM 512 N LYS A 282 15.944 -5.075 28.339 1.00 0.00 N ATOM 513 CA LYS A 282 17.317 -5.571 28.234 1.00 0.00 C ATOM 514 C LYS A 282 18.168 -5.023 29.373 1.00 0.00 C ATOM 515 O LYS A 282 19.005 -5.729 29.933 1.00 0.00 O ATOM 516 CB LYS A 282 17.924 -5.176 26.888 1.00 0.00 C ATOM 517 CG LYS A 282 16.798 -4.872 25.895 1.00 0.00 C ATOM 518 CD LYS A 282 17.392 -4.569 24.517 1.00 0.00 C ATOM 519 CE LYS A 282 16.878 -5.592 23.502 1.00 0.00 C ATOM 520 NZ LYS A 282 17.732 -5.556 22.284 1.00 0.00 N ATOM 0 H LYS A 282 15.427 -5.064 27.460 1.00 0.00 H new ATOM 0 HA LYS A 282 17.297 -6.659 28.304 1.00 0.00 H new ATOM 0 HB2 LYS A 282 18.565 -4.302 27.007 1.00 0.00 H new ATOM 0 HB3 LYS A 282 18.552 -5.982 26.508 1.00 0.00 H new ATOM 0 HG2 LYS A 282 16.119 -5.722 25.830 1.00 0.00 H new ATOM 0 HG3 LYS A 282 16.212 -4.022 26.244 1.00 0.00 H new ATOM 0 HD2 LYS A 282 17.117 -3.562 24.205 1.00 0.00 H new ATOM 0 HD3 LYS A 282 18.480 -4.603 24.563 1.00 0.00 H new ATOM 0 HE2 LYS A 282 16.891 -6.591 23.938 1.00 0.00 H new ATOM 0 HE3 LYS A 282 15.843 -5.372 23.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 17.382 -6.251 21.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 17.698 -4.605 21.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 18.713 -5.786 22.541 1.00 0.00 H new ATOM 534 N LEU A 283 17.925 -3.765 29.727 1.00 0.00 N ATOM 535 CA LEU A 283 18.650 -3.133 30.820 1.00 0.00 C ATOM 536 C LEU A 283 18.400 -3.888 32.120 1.00 0.00 C ATOM 537 O LEU A 283 19.344 -4.255 32.821 1.00 0.00 O ATOM 538 CB LEU A 283 18.188 -1.685 30.976 1.00 0.00 C ATOM 539 CG LEU A 283 18.809 -1.064 32.232 1.00 0.00 C ATOM 540 CD1 LEU A 283 20.282 -0.737 31.979 1.00 0.00 C ATOM 541 CD2 LEU A 283 18.049 0.213 32.570 1.00 0.00 C ATOM 0 H LEU A 283 17.234 -3.166 29.274 1.00 0.00 H new ATOM 0 HA LEU A 283 19.716 -3.153 30.594 1.00 0.00 H new ATOM 0 HB2 LEU A 283 18.474 -1.108 30.097 1.00 0.00 H new ATOM 0 HB3 LEU A 283 17.101 -1.648 31.042 1.00 0.00 H new ATOM 0 HG LEU A 283 18.745 -1.767 33.062 1.00 0.00 H new ATOM 0 HD11 LEU A 283 20.716 -0.296 32.876 1.00 0.00 H new ATOM 0 HD12 LEU A 283 20.820 -1.651 31.727 1.00 0.00 H new ATOM 0 HD13 LEU A 283 20.361 -0.030 31.153 1.00 0.00 H new ATOM 0 HD21 LEU A 283 18.479 0.667 33.462 1.00 0.00 H new ATOM 0 HD22 LEU A 283 18.122 0.911 31.736 1.00 0.00 H new ATOM 0 HD23 LEU A 283 17.001 -0.025 32.753 1.00 0.00 H new ATOM 547 N ILE A 284 17.121 -4.105 32.436 1.00 0.00 N ATOM 548 CA ILE A 284 16.739 -4.809 33.660 1.00 0.00 C ATOM 549 C ILE A 284 17.925 -5.566 34.247 1.00 0.00 C ATOM 550 O ILE A 284 18.226 -5.442 35.434 1.00 0.00 O ATOM 551 CB ILE A 284 15.602 -5.788 33.367 1.00 0.00 C ATOM 552 CG1 ILE A 284 14.284 -5.016 33.255 1.00 0.00 C ATOM 553 CG2 ILE A 284 15.502 -6.810 34.500 1.00 0.00 C ATOM 554 CD1 ILE A 284 13.670 -4.842 34.646 1.00 0.00 C ATOM 0 H ILE A 284 16.334 -3.803 31.861 1.00 0.00 H new ATOM 0 HA ILE A 284 16.405 -4.068 34.387 1.00 0.00 H new ATOM 0 HB ILE A 284 15.801 -6.307 32.429 1.00 0.00 H new ATOM 0 HG12 ILE A 284 14.460 -4.041 32.800 1.00 0.00 H new ATOM 0 HG13 ILE A 284 13.592 -5.551 32.605 1.00 0.00 H new ATOM 0 HG21 ILE A 284 14.691 -7.508 34.290 1.00 0.00 H new ATOM 0 HG22 ILE A 284 16.441 -7.358 34.579 1.00 0.00 H new ATOM 0 HG23 ILE A 284 15.303 -6.294 35.439 1.00 0.00 H new ATOM 0 HD11 ILE A 284 12.732 -4.292 34.564 1.00 0.00 H new ATOM 0 HD12 ILE A 284 13.479 -5.821 35.085 1.00 0.00 H new ATOM 0 HD13 ILE A 284 14.361 -4.288 35.282 1.00 0.00 H new ATOM 560 N MET A 285 18.602 -6.341 33.407 1.00 0.00 N ATOM 561 CA MET A 285 19.761 -7.100 33.856 1.00 0.00 C ATOM 562 C MET A 285 21.040 -6.317 33.580 1.00 0.00 C ATOM 563 O MET A 285 21.412 -6.105 32.427 1.00 0.00 O ATOM 564 CB MET A 285 19.819 -8.449 33.136 1.00 0.00 C ATOM 565 CG MET A 285 21.070 -9.208 33.579 1.00 0.00 C ATOM 566 SD MET A 285 20.651 -10.944 33.871 1.00 0.00 S ATOM 567 CE MET A 285 22.321 -11.512 34.275 1.00 0.00 C ATOM 0 H MET A 285 18.371 -6.459 32.421 1.00 0.00 H new ATOM 0 HA MET A 285 19.671 -7.271 34.929 1.00 0.00 H new ATOM 0 HB2 MET A 285 18.927 -9.033 33.362 1.00 0.00 H new ATOM 0 HB3 MET A 285 19.835 -8.297 32.057 1.00 0.00 H new ATOM 0 HG2 MET A 285 21.843 -9.133 32.815 1.00 0.00 H new ATOM 0 HG3 MET A 285 21.476 -8.763 34.488 1.00 0.00 H new ATOM 0 HE1 MET A 285 22.299 -12.579 34.495 1.00 0.00 H new ATOM 0 HE2 MET A 285 22.982 -11.329 33.428 1.00 0.00 H new ATOM 0 HE3 MET A 285 22.689 -10.970 35.146 1.00 0.00 H new ATOM 574 N TYR A 286 21.704 -5.882 34.645 1.00 0.00 N ATOM 575 CA TYR A 286 22.935 -5.117 34.503 1.00 0.00 C ATOM 576 C TYR A 286 24.153 -6.032 34.591 1.00 0.00 C ATOM 577 O TYR A 286 24.458 -6.476 35.686 1.00 0.00 O ATOM 578 CB TYR A 286 23.016 -4.048 35.595 1.00 0.00 C ATOM 579 CG TYR A 286 21.760 -3.226 35.593 1.00 0.00 C ATOM 580 CD1 TYR A 286 20.567 -3.776 36.068 1.00 0.00 C ATOM 581 CD2 TYR A 286 21.791 -1.909 35.127 1.00 0.00 C ATOM 582 CE1 TYR A 286 19.402 -3.010 36.077 1.00 0.00 C ATOM 583 CE2 TYR A 286 20.626 -1.141 35.132 1.00 0.00 C ATOM 584 CZ TYR A 286 19.428 -1.690 35.609 1.00 0.00 C ATOM 585 OH TYR A 286 18.275 -0.931 35.619 1.00 0.00 O ATOM 586 OXT TYR A 286 24.763 -6.272 33.563 1.00 0.00 O ATOM 0 H TYR A 286 21.413 -6.045 35.609 1.00 0.00 H new ATOM 0 HA TYR A 286 22.928 -4.637 33.525 1.00 0.00 H new ATOM 0 HB2 TYR A 286 23.152 -4.519 36.569 1.00 0.00 H new ATOM 0 HB3 TYR A 286 23.882 -3.407 35.427 1.00 0.00 H new ATOM 0 HD1 TYR A 286 20.547 -4.794 36.428 1.00 0.00 H new ATOM 0 HD2 TYR A 286 22.716 -1.486 34.763 1.00 0.00 H new ATOM 0 HE1 TYR A 286 18.480 -3.434 36.445 1.00 0.00 H new ATOM 0 HE2 TYR A 286 20.647 -0.124 34.769 1.00 0.00 H new ATOM 0 HH TYR A 286 18.506 0.014 35.736 1.00 0.00 H new TER 596 TYR A 286