USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 703 hydrogens (7 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 270 SER OG : rot 180:sc= 0.952 USER MOD Set 1.2: A 314 ASN : amide:sc= 1.69 K(o=2.6,f=-2!) USER MOD Set 2.1: A 265 SER OG : rot -136:sc= 0.937 USER MOD Set 2.2: A 282 SER OG : rot 180:sc= 0.567 USER MOD Set 3.1: A 269 GLN : amide:sc= 0 X(o=0,f=0.014) USER MOD Set 3.2: A 279 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 251 THR OG1 : rot -87:sc= 0.849 USER MOD Set 4.2: A 334 THR OG1 : rot 180:sc= 0.79 USER MOD Single : A 248 ASN : amide:sc= -0.303 K(o=-0.3,f=-1.1) USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= -0.711 K(o=-0.71,f=-8.8!) USER MOD Single : A 256 MET CE :methyl -164:sc= -0.0337 (180deg=-0.549) USER MOD Single : A 259 HIS : no HE2:sc= 0.628 K(o=0.63,f=-2!) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 271 ASN : amide:sc= -0.242 K(o=-0.24,f=-0.86) USER MOD Single : A 284 MET CE :methyl -126:sc= -0.119 (180deg=-0.66) USER MOD Single : A 285 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0175) USER MOD Single : A 300 MET CE :methyl 144:sc= -0.3 (180deg=-2.65!) USER MOD Single : A 303 GLN : amide:sc= -0.75 X(o=-0.75,f=-0.35) USER MOD Single : A 305 ASN : amide:sc= 0.996 K(o=1,f=-4.9!) USER MOD Single : A 308 ASN : amide:sc= -0.886 K(o=-0.89,f=-2.7!) USER MOD Single : A 311 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 312 MET CE :methyl 149:sc= -1.02 (180deg=-2.05) USER MOD Single : A 313 SER OG : rot 180:sc= 0.357 USER MOD Single : A 326 SER OG : rot 58:sc= 1.27 USER MOD Single : A 327 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.0984 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 337 LYS NZ :NH3+ 162:sc= 0.947 (180deg=-0.449) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 3.548 -14.029 -7.125 1.00 0.52 N ATOM 2 CA ASN A 248 2.404 -13.633 -7.979 1.00 0.49 C ATOM 3 C ASN A 248 2.042 -12.172 -7.739 1.00 0.44 C ATOM 4 O ASN A 248 1.970 -11.724 -6.595 1.00 0.47 O ATOM 5 CB ASN A 248 1.199 -14.535 -7.688 1.00 0.57 C ATOM 6 CG ASN A 248 0.018 -14.266 -8.605 1.00 0.70 C ATOM 7 OD1 ASN A 248 0.175 -13.746 -9.710 1.00 0.99 O ATOM 8 ND2 ASN A 248 -1.172 -14.631 -8.155 1.00 1.26 N ATOM 0 HA ASN A 248 2.689 -13.749 -9.025 1.00 0.49 H new ATOM 0 HB2 ASN A 248 1.500 -15.578 -7.790 1.00 0.57 H new ATOM 0 HB3 ASN A 248 0.888 -14.393 -6.653 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -2.002 -14.484 -8.730 1.00 1.26 H new ATOM 0 HD22 ASN A 248 -1.259 -15.059 -7.233 1.00 1.26 H new ATOM 17 N ILE A 249 1.826 -11.432 -8.818 1.00 0.45 N ATOM 18 CA ILE A 249 1.475 -10.020 -8.726 1.00 0.43 C ATOM 19 C ILE A 249 -0.016 -9.829 -8.995 1.00 0.42 C ATOM 20 O ILE A 249 -0.532 -10.295 -10.014 1.00 0.50 O ATOM 21 CB ILE A 249 2.300 -9.175 -9.725 1.00 0.47 C ATOM 22 CG1 ILE A 249 3.794 -9.277 -9.402 1.00 0.54 C ATOM 23 CG2 ILE A 249 1.853 -7.724 -9.704 1.00 0.50 C ATOM 24 CD1 ILE A 249 4.681 -8.611 -10.435 1.00 0.65 C ATOM 0 H ILE A 249 1.888 -11.788 -9.772 1.00 0.45 H new ATOM 0 HA ILE A 249 1.706 -9.681 -7.716 1.00 0.43 H new ATOM 0 HB ILE A 249 2.130 -9.569 -10.727 1.00 0.47 H new ATOM 0 HG12 ILE A 249 3.979 -8.823 -8.428 1.00 0.54 H new ATOM 0 HG13 ILE A 249 4.070 -10.328 -9.321 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.448 -7.150 -10.414 1.00 0.50 H new ATOM 0 HG22 ILE A 249 0.800 -7.664 -9.980 1.00 0.50 H new ATOM 0 HG23 ILE A 249 1.990 -7.316 -8.703 1.00 0.50 H new ATOM 0 HD11 ILE A 249 5.725 -8.721 -10.143 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.524 -9.080 -11.406 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.432 -7.552 -10.499 1.00 0.65 H new ATOM 36 N ILE A 250 -0.705 -9.153 -8.078 1.00 0.39 N ATOM 37 CA ILE A 250 -2.141 -8.925 -8.217 1.00 0.41 C ATOM 38 C ILE A 250 -2.497 -7.456 -7.983 1.00 0.37 C ATOM 39 O ILE A 250 -1.995 -6.825 -7.050 1.00 0.36 O ATOM 40 CB ILE A 250 -2.950 -9.799 -7.223 1.00 0.44 C ATOM 41 CG1 ILE A 250 -2.570 -11.277 -7.353 1.00 0.48 C ATOM 42 CG2 ILE A 250 -4.443 -9.625 -7.448 1.00 0.55 C ATOM 43 CD1 ILE A 250 -1.681 -11.771 -6.235 1.00 0.54 C ATOM 0 H ILE A 250 -0.294 -8.755 -7.234 1.00 0.39 H new ATOM 0 HA ILE A 250 -2.404 -9.202 -9.238 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.704 -9.467 -6.214 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -3.480 -11.877 -7.376 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -2.063 -11.431 -8.305 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.992 -10.246 -6.741 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.714 -8.580 -7.299 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.695 -9.924 -8.466 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -1.452 -12.825 -6.391 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -0.755 -11.196 -6.225 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -2.194 -11.649 -5.281 1.00 0.54 H new ATOM 55 N THR A 251 -3.349 -6.915 -8.846 1.00 0.40 N ATOM 56 CA THR A 251 -3.801 -5.539 -8.722 1.00 0.39 C ATOM 57 C THR A 251 -5.250 -5.516 -8.244 1.00 0.40 C ATOM 58 O THR A 251 -6.150 -6.001 -8.936 1.00 0.48 O ATOM 59 CB THR A 251 -3.694 -4.780 -10.061 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.347 -4.832 -10.552 1.00 0.59 O ATOM 61 CG2 THR A 251 -4.118 -3.327 -9.901 1.00 0.47 C ATOM 0 H THR A 251 -3.742 -7.415 -9.644 1.00 0.40 H new ATOM 0 HA THR A 251 -3.156 -5.041 -7.997 1.00 0.39 H new ATOM 0 HB THR A 251 -4.362 -5.262 -10.774 1.00 0.46 H new ATOM 0 HG1 THR A 251 -1.829 -4.095 -10.166 1.00 0.59 H new ATOM 0 HG21 THR A 251 -4.033 -2.815 -10.860 1.00 0.47 H new ATOM 0 HG22 THR A 251 -5.152 -3.285 -9.558 1.00 0.47 H new ATOM 0 HG23 THR A 251 -3.473 -2.838 -9.170 1.00 0.47 H new ATOM 69 N VAL A 252 -5.473 -4.972 -7.059 1.00 0.36 N ATOM 70 CA VAL A 252 -6.811 -4.906 -6.496 1.00 0.38 C ATOM 71 C VAL A 252 -7.401 -3.505 -6.642 1.00 0.35 C ATOM 72 O VAL A 252 -6.683 -2.508 -6.567 1.00 0.39 O ATOM 73 CB VAL A 252 -6.819 -5.321 -5.004 1.00 0.41 C ATOM 74 CG1 VAL A 252 -6.035 -6.608 -4.803 1.00 0.50 C ATOM 75 CG2 VAL A 252 -6.262 -4.219 -4.115 1.00 0.40 C ATOM 0 H VAL A 252 -4.745 -4.570 -6.469 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.427 -5.610 -7.056 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.856 -5.491 -4.715 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -6.052 -6.883 -3.749 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.487 -7.405 -5.394 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -5.004 -6.459 -5.123 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -6.283 -4.545 -3.075 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -5.235 -4.001 -4.406 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.869 -3.320 -4.226 1.00 0.40 H new ATOM 85 N THR A 253 -8.702 -3.440 -6.883 1.00 0.39 N ATOM 86 CA THR A 253 -9.391 -2.168 -7.020 1.00 0.40 C ATOM 87 C THR A 253 -10.380 -1.997 -5.868 1.00 0.39 C ATOM 88 O THR A 253 -11.395 -2.695 -5.784 1.00 0.54 O ATOM 89 CB THR A 253 -10.110 -2.047 -8.386 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.928 -0.871 -8.425 1.00 0.76 O ATOM 91 CG2 THR A 253 -10.958 -3.277 -8.686 1.00 0.79 C ATOM 0 H THR A 253 -9.303 -4.258 -6.988 1.00 0.39 H new ATOM 0 HA THR A 253 -8.649 -1.370 -6.981 1.00 0.40 H new ATOM 0 HB THR A 253 -9.338 -1.972 -9.152 1.00 0.50 H new ATOM 0 HG1 THR A 253 -11.373 -0.811 -9.296 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.447 -3.155 -9.653 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.321 -4.161 -8.711 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.714 -3.396 -7.910 1.00 0.79 H new ATOM 99 N LEU A 254 -10.071 -1.078 -4.968 1.00 0.33 N ATOM 100 CA LEU A 254 -10.914 -0.846 -3.805 1.00 0.35 C ATOM 101 C LEU A 254 -11.813 0.370 -3.985 1.00 0.35 C ATOM 102 O LEU A 254 -11.431 1.358 -4.610 1.00 0.37 O ATOM 103 CB LEU A 254 -10.043 -0.669 -2.561 1.00 0.36 C ATOM 104 CG LEU A 254 -9.022 -1.785 -2.320 1.00 0.39 C ATOM 105 CD1 LEU A 254 -8.178 -1.478 -1.096 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.718 -3.130 -2.165 1.00 0.45 C ATOM 0 H LEU A 254 -9.245 -0.482 -5.019 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.559 -1.717 -3.685 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.510 0.279 -2.641 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.693 -0.597 -1.689 1.00 0.36 H new ATOM 0 HG LEU A 254 -8.365 -1.840 -3.188 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -7.458 -2.281 -0.940 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.646 -0.539 -1.247 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.823 -1.393 -0.221 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.973 -3.908 -1.995 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -10.402 -3.090 -1.317 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -10.278 -3.357 -3.072 1.00 0.45 H new ATOM 118 N ASN A 255 -13.012 0.278 -3.428 1.00 0.40 N ATOM 119 CA ASN A 255 -13.984 1.359 -3.497 1.00 0.44 C ATOM 120 C ASN A 255 -13.832 2.267 -2.280 1.00 0.40 C ATOM 121 O ASN A 255 -13.982 1.822 -1.137 1.00 0.39 O ATOM 122 CB ASN A 255 -15.408 0.791 -3.565 1.00 0.50 C ATOM 123 CG ASN A 255 -16.479 1.859 -3.432 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.852 2.244 -2.322 1.00 0.52 O ATOM 125 ND2 ASN A 255 -16.988 2.334 -4.558 1.00 0.65 N ATOM 0 H ASN A 255 -13.337 -0.543 -2.918 1.00 0.40 H new ATOM 0 HA ASN A 255 -13.803 1.943 -4.400 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.540 0.268 -4.512 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.537 0.054 -2.773 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.718 3.046 -4.527 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.651 1.988 -5.456 1.00 0.65 H new ATOM 132 N MET A 256 -13.533 3.537 -2.526 1.00 0.41 N ATOM 133 CA MET A 256 -13.344 4.505 -1.450 1.00 0.41 C ATOM 134 C MET A 256 -14.593 5.351 -1.225 1.00 0.44 C ATOM 135 O MET A 256 -14.525 6.446 -0.672 1.00 0.49 O ATOM 136 CB MET A 256 -12.147 5.407 -1.751 1.00 0.43 C ATOM 137 CG MET A 256 -10.808 4.732 -1.512 1.00 0.45 C ATOM 138 SD MET A 256 -10.568 4.249 0.212 1.00 0.56 S ATOM 139 CE MET A 256 -10.457 5.856 0.998 1.00 0.63 C ATOM 0 H MET A 256 -13.416 3.922 -3.463 1.00 0.41 H new ATOM 0 HA MET A 256 -13.152 3.945 -0.535 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.200 5.734 -2.789 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.210 6.301 -1.131 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.733 3.849 -2.146 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.007 5.408 -1.811 1.00 0.45 H new ATOM 0 HE1 MET A 256 -10.032 5.745 1.995 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.819 6.509 0.403 1.00 0.63 H new ATOM 0 HE3 MET A 256 -11.453 6.293 1.075 1.00 0.63 H new ATOM 149 N GLU A 257 -15.732 4.839 -1.662 1.00 0.46 N ATOM 150 CA GLU A 257 -16.993 5.538 -1.486 1.00 0.51 C ATOM 151 C GLU A 257 -17.600 5.173 -0.140 1.00 0.49 C ATOM 152 O GLU A 257 -17.992 6.044 0.636 1.00 0.56 O ATOM 153 CB GLU A 257 -17.958 5.192 -2.619 1.00 0.56 C ATOM 154 CG GLU A 257 -17.693 5.966 -3.896 1.00 0.67 C ATOM 155 CD GLU A 257 -18.131 7.411 -3.796 1.00 0.86 C ATOM 156 OE1 GLU A 257 -19.126 7.685 -3.092 1.00 1.23 O ATOM 157 OE2 GLU A 257 -17.487 8.279 -4.421 1.00 1.27 O ATOM 0 H GLU A 257 -15.809 3.942 -2.141 1.00 0.46 H new ATOM 0 HA GLU A 257 -16.809 6.612 -1.511 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -17.891 4.125 -2.830 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -18.978 5.388 -2.289 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.628 5.927 -4.127 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.216 5.487 -4.723 1.00 0.67 H new ATOM 164 N ARG A 258 -17.673 3.874 0.128 1.00 0.45 N ATOM 165 CA ARG A 258 -18.211 3.384 1.388 1.00 0.45 C ATOM 166 C ARG A 258 -17.099 3.350 2.434 1.00 0.43 C ATOM 167 O ARG A 258 -17.320 3.619 3.614 1.00 0.63 O ATOM 168 CB ARG A 258 -18.810 1.983 1.215 1.00 0.48 C ATOM 169 CG ARG A 258 -19.322 1.379 2.514 1.00 0.56 C ATOM 170 CD ARG A 258 -19.530 -0.122 2.394 1.00 0.64 C ATOM 171 NE ARG A 258 -19.573 -0.767 3.704 1.00 0.75 N ATOM 172 CZ ARG A 258 -19.686 -2.079 3.896 1.00 0.86 C ATOM 173 NH1 ARG A 258 -19.778 -2.904 2.859 1.00 1.01 N ATOM 174 NH2 ARG A 258 -19.708 -2.567 5.128 1.00 1.06 N ATOM 0 H ARG A 258 -17.366 3.142 -0.512 1.00 0.45 H new ATOM 0 HA ARG A 258 -19.004 4.056 1.717 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.630 2.033 0.498 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -18.054 1.323 0.789 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.612 1.585 3.315 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -20.262 1.856 2.791 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -20.460 -0.319 1.860 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -18.724 -0.555 1.801 1.00 0.64 H new ATOM 0 HE ARG A 258 -19.512 -0.170 4.529 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -19.762 -2.533 1.909 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -19.864 -3.909 3.013 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -19.638 -1.937 5.927 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -19.795 -3.572 5.277 1.00 1.06 H new ATOM 188 N HIS A 259 -15.894 3.020 1.983 1.00 0.37 N ATOM 189 CA HIS A 259 -14.740 2.952 2.867 1.00 0.35 C ATOM 190 C HIS A 259 -14.105 4.324 2.975 1.00 0.40 C ATOM 191 O HIS A 259 -14.114 5.086 2.012 1.00 0.63 O ATOM 192 CB HIS A 259 -13.714 1.943 2.351 1.00 0.38 C ATOM 193 CG HIS A 259 -14.257 0.552 2.238 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.461 -0.072 1.027 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.640 -0.335 3.190 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.947 -1.282 1.236 1.00 0.76 C ATOM 197 NE2 HIS A 259 -15.066 -1.467 2.538 1.00 0.75 N ATOM 0 H HIS A 259 -15.692 2.795 1.009 1.00 0.37 H new ATOM 0 HA HIS A 259 -15.075 2.623 3.851 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.356 2.267 1.374 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.853 1.936 3.019 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -14.267 0.336 0.113 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.615 -0.181 4.259 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -15.204 -2.000 0.471 1.00 0.76 H new ATOM 206 N HIS A 260 -13.569 4.647 4.138 1.00 0.36 N ATOM 207 CA HIS A 260 -12.952 5.953 4.332 1.00 0.42 C ATOM 208 C HIS A 260 -11.449 5.847 4.557 1.00 0.35 C ATOM 209 O HIS A 260 -10.766 6.861 4.684 1.00 0.42 O ATOM 210 CB HIS A 260 -13.614 6.678 5.500 1.00 0.56 C ATOM 211 CG HIS A 260 -15.030 7.085 5.221 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.398 7.833 4.123 1.00 0.97 N ATOM 213 CD2 HIS A 260 -16.180 6.821 5.892 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.705 8.014 4.131 1.00 1.09 C ATOM 215 NE2 HIS A 260 -17.201 7.409 5.191 1.00 1.01 N ATOM 0 H HIS A 260 -13.546 4.035 4.954 1.00 0.36 H new ATOM 0 HA HIS A 260 -13.104 6.528 3.418 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.596 6.031 6.377 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -13.030 7.565 5.746 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.273 6.254 6.807 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -17.271 8.564 3.394 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -18.187 7.382 5.449 1.00 1.01 H new ATOM 224 N PHE A 261 -10.932 4.628 4.594 1.00 0.30 N ATOM 225 CA PHE A 261 -9.506 4.418 4.800 1.00 0.25 C ATOM 226 C PHE A 261 -9.081 3.056 4.269 1.00 0.21 C ATOM 227 O PHE A 261 -9.923 2.180 4.044 1.00 0.22 O ATOM 228 CB PHE A 261 -9.144 4.554 6.285 1.00 0.28 C ATOM 229 CG PHE A 261 -9.836 3.579 7.201 1.00 0.32 C ATOM 230 CD1 PHE A 261 -11.157 3.772 7.577 1.00 0.52 C ATOM 231 CD2 PHE A 261 -9.156 2.482 7.700 1.00 0.36 C ATOM 232 CE1 PHE A 261 -11.784 2.887 8.434 1.00 0.62 C ATOM 233 CE2 PHE A 261 -9.775 1.596 8.561 1.00 0.44 C ATOM 234 CZ PHE A 261 -11.091 1.797 8.925 1.00 0.52 C ATOM 0 H PHE A 261 -11.476 3.772 4.485 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.967 5.186 4.246 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -8.067 4.429 6.394 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.382 5.567 6.610 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.702 4.623 7.196 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -8.128 2.316 7.413 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -12.813 3.047 8.719 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -9.230 0.748 8.948 1.00 0.44 H new ATOM 0 HZ PHE A 261 -11.579 1.103 9.593 1.00 0.52 H new ATOM 244 N LEU A 262 -7.782 2.886 4.067 1.00 0.17 N ATOM 245 CA LEU A 262 -7.239 1.634 3.568 1.00 0.14 C ATOM 246 C LEU A 262 -7.188 0.612 4.693 1.00 0.12 C ATOM 247 O LEU A 262 -7.704 -0.503 4.564 1.00 0.14 O ATOM 248 CB LEU A 262 -5.841 1.860 2.970 1.00 0.14 C ATOM 249 CG LEU A 262 -5.813 2.272 1.492 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.451 1.975 0.889 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.901 1.562 0.700 1.00 0.34 C ATOM 0 H LEU A 262 -7.081 3.606 4.243 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.886 1.251 2.779 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.336 2.630 3.553 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.263 0.943 3.084 1.00 0.14 H new ATOM 0 HG LEU A 262 -6.001 3.344 1.439 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.445 2.272 -0.160 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.685 2.532 1.428 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -4.244 0.907 0.965 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.855 1.875 -0.343 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.752 0.484 0.762 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.877 1.818 1.113 1.00 0.34 H new ATOM 263 N GLY A 263 -6.582 1.012 5.803 1.00 0.11 N ATOM 264 CA GLY A 263 -6.480 0.149 6.957 1.00 0.12 C ATOM 265 C GLY A 263 -5.281 -0.768 6.904 1.00 0.11 C ATOM 266 O GLY A 263 -5.404 -1.968 7.139 1.00 0.14 O ATOM 0 H GLY A 263 -6.155 1.931 5.922 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.423 0.761 7.857 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.386 -0.451 7.036 1.00 0.12 H new ATOM 270 N ILE A 264 -4.118 -0.209 6.605 1.00 0.09 N ATOM 271 CA ILE A 264 -2.895 -0.996 6.525 1.00 0.09 C ATOM 272 C ILE A 264 -1.689 -0.208 7.019 1.00 0.08 C ATOM 273 O ILE A 264 -1.597 1.008 6.827 1.00 0.11 O ATOM 274 CB ILE A 264 -2.597 -1.481 5.085 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.859 -0.357 4.077 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.411 -2.722 4.749 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.340 -0.653 2.687 1.00 0.18 C ATOM 0 H ILE A 264 -3.995 0.785 6.414 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.063 -1.862 7.165 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.543 -1.752 5.025 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.932 -0.172 4.023 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.396 0.560 4.440 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.183 -3.042 3.732 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.160 -3.521 5.446 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.474 -2.492 4.828 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.562 0.187 2.029 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.262 -0.808 2.727 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.822 -1.552 2.302 1.00 0.18 H new ATOM 289 N SER A 265 -0.774 -0.906 7.673 1.00 0.09 N ATOM 290 CA SER A 265 0.444 -0.290 8.163 1.00 0.12 C ATOM 291 C SER A 265 1.561 -0.524 7.160 1.00 0.11 C ATOM 292 O SER A 265 1.819 -1.663 6.764 1.00 0.19 O ATOM 293 CB SER A 265 0.831 -0.865 9.524 1.00 0.20 C ATOM 294 OG SER A 265 0.426 -2.217 9.647 1.00 1.00 O ATOM 0 H SER A 265 -0.854 -1.902 7.876 1.00 0.09 H new ATOM 0 HA SER A 265 0.277 0.781 8.283 1.00 0.12 H new ATOM 0 HB2 SER A 265 1.910 -0.793 9.658 1.00 0.20 H new ATOM 0 HB3 SER A 265 0.372 -0.272 10.315 1.00 0.20 H new ATOM 0 HG SER A 265 0.020 -2.358 10.528 1.00 1.00 H new ATOM 300 N ILE A 266 2.217 0.543 6.743 1.00 0.10 N ATOM 301 CA ILE A 266 3.291 0.432 5.771 1.00 0.11 C ATOM 302 C ILE A 266 4.638 0.269 6.469 1.00 0.13 C ATOM 303 O ILE A 266 5.079 1.153 7.203 1.00 0.28 O ATOM 304 CB ILE A 266 3.338 1.662 4.837 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.925 2.094 4.417 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.181 1.357 3.612 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.094 0.981 3.820 1.00 0.16 C ATOM 0 H ILE A 266 2.027 1.494 7.060 1.00 0.10 H new ATOM 0 HA ILE A 266 3.090 -0.453 5.167 1.00 0.11 H new ATOM 0 HB ILE A 266 3.793 2.487 5.385 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.405 2.495 5.287 1.00 0.14 H new ATOM 0 HG13 ILE A 266 2.004 2.904 3.692 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.207 2.231 2.961 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.195 1.105 3.922 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.747 0.515 3.072 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.111 1.366 3.549 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.590 0.594 2.930 1.00 0.16 H new ATOM 0 HD13 ILE A 266 0.981 0.179 4.550 1.00 0.16 H new ATOM 319 N VAL A 267 5.268 -0.876 6.263 1.00 0.12 N ATOM 320 CA VAL A 267 6.562 -1.153 6.867 1.00 0.14 C ATOM 321 C VAL A 267 7.675 -0.950 5.846 1.00 0.14 C ATOM 322 O VAL A 267 7.705 -1.617 4.810 1.00 0.23 O ATOM 323 CB VAL A 267 6.632 -2.593 7.426 1.00 0.24 C ATOM 324 CG1 VAL A 267 7.973 -2.851 8.097 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.493 -2.843 8.402 1.00 0.31 C ATOM 0 H VAL A 267 4.904 -1.630 5.681 1.00 0.12 H new ATOM 0 HA VAL A 267 6.693 -0.457 7.696 1.00 0.14 H new ATOM 0 HB VAL A 267 6.531 -3.285 6.590 1.00 0.24 H new ATOM 0 HG11 VAL A 267 7.997 -3.871 8.482 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.775 -2.718 7.371 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.109 -2.149 8.920 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.559 -3.861 8.785 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.563 -2.139 9.231 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.540 -2.708 7.891 1.00 0.31 H new ATOM 335 N GLY A 268 8.574 -0.022 6.135 1.00 0.17 N ATOM 336 CA GLY A 268 9.674 0.257 5.235 1.00 0.23 C ATOM 337 C GLY A 268 10.906 -0.556 5.573 1.00 0.23 C ATOM 338 O GLY A 268 11.410 -0.498 6.697 1.00 0.37 O ATOM 0 H GLY A 268 8.561 0.546 6.982 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.368 0.042 4.211 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.917 1.319 5.279 1.00 0.23 H new ATOM 342 N GLN A 269 11.381 -1.328 4.609 1.00 0.27 N ATOM 343 CA GLN A 269 12.560 -2.155 4.804 1.00 0.34 C ATOM 344 C GLN A 269 13.820 -1.345 4.524 1.00 0.38 C ATOM 345 O GLN A 269 14.306 -1.288 3.393 1.00 0.50 O ATOM 346 CB GLN A 269 12.497 -3.392 3.905 1.00 0.49 C ATOM 347 CG GLN A 269 13.701 -4.310 4.037 1.00 0.67 C ATOM 348 CD GLN A 269 13.341 -5.765 3.841 1.00 1.19 C ATOM 349 OE1 GLN A 269 13.084 -6.485 4.802 1.00 1.81 O ATOM 350 NE2 GLN A 269 13.303 -6.203 2.593 1.00 1.87 N ATOM 0 H GLN A 269 10.966 -1.399 3.680 1.00 0.27 H new ATOM 0 HA GLN A 269 12.589 -2.490 5.841 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.595 -3.956 4.142 1.00 0.49 H new ATOM 0 HB3 GLN A 269 12.409 -3.071 2.867 1.00 0.49 H new ATOM 0 HG2 GLN A 269 14.455 -4.023 3.304 1.00 0.67 H new ATOM 0 HG3 GLN A 269 14.148 -4.179 5.022 1.00 0.67 H new ATOM 0 HE21 GLN A 269 13.524 -5.571 1.824 1.00 1.87 H new ATOM 0 HE22 GLN A 269 13.053 -7.173 2.400 1.00 1.87 H new ATOM 359 N SER A 270 14.329 -0.698 5.558 1.00 0.55 N ATOM 360 CA SER A 270 15.523 0.119 5.438 1.00 0.70 C ATOM 361 C SER A 270 16.670 -0.487 6.242 1.00 0.83 C ATOM 362 O SER A 270 16.949 -0.064 7.367 1.00 1.17 O ATOM 363 CB SER A 270 15.234 1.544 5.920 1.00 0.96 C ATOM 364 OG SER A 270 13.940 1.973 5.519 1.00 1.10 O ATOM 0 H SER A 270 13.930 -0.724 6.496 1.00 0.55 H new ATOM 0 HA SER A 270 15.818 0.153 4.389 1.00 0.70 H new ATOM 0 HB2 SER A 270 15.313 1.586 7.006 1.00 0.96 H new ATOM 0 HB3 SER A 270 15.985 2.225 5.520 1.00 0.96 H new ATOM 0 HG SER A 270 13.783 2.885 5.842 1.00 1.10 H new ATOM 370 N ASN A 271 17.320 -1.493 5.668 1.00 0.91 N ATOM 371 CA ASN A 271 18.435 -2.161 6.331 1.00 1.15 C ATOM 372 C ASN A 271 19.755 -1.510 5.916 1.00 1.04 C ATOM 373 O ASN A 271 19.785 -0.323 5.582 1.00 1.29 O ATOM 374 CB ASN A 271 18.444 -3.655 5.982 1.00 1.43 C ATOM 375 CG ASN A 271 18.982 -4.506 7.116 1.00 2.09 C ATOM 376 OD1 ASN A 271 18.530 -4.398 8.254 1.00 2.75 O ATOM 377 ND2 ASN A 271 19.957 -5.345 6.816 1.00 2.37 N ATOM 0 H ASN A 271 17.095 -1.864 4.745 1.00 0.91 H new ATOM 0 HA ASN A 271 18.316 -2.059 7.410 1.00 1.15 H new ATOM 0 HB2 ASN A 271 17.431 -3.975 5.739 1.00 1.43 H new ATOM 0 HB3 ASN A 271 19.051 -3.814 5.091 1.00 1.43 H new ATOM 0 HD21 ASN A 271 20.364 -5.935 7.542 1.00 2.37 H new ATOM 0 HD22 ASN A 271 20.303 -5.403 5.858 1.00 2.37 H new ATOM 384 N ASP A 272 20.835 -2.289 5.923 1.00 1.04 N ATOM 385 CA ASP A 272 22.158 -1.801 5.537 1.00 1.02 C ATOM 386 C ASP A 272 22.148 -1.321 4.090 1.00 1.00 C ATOM 387 O ASP A 272 22.857 -0.383 3.725 1.00 1.14 O ATOM 388 CB ASP A 272 23.214 -2.904 5.719 1.00 1.26 C ATOM 389 CG ASP A 272 22.968 -4.123 4.844 1.00 1.61 C ATOM 390 OD1 ASP A 272 21.833 -4.646 4.850 1.00 2.08 O ATOM 391 OD2 ASP A 272 23.912 -4.572 4.160 1.00 1.91 O ATOM 0 H ASP A 272 20.818 -3.272 6.195 1.00 1.04 H new ATOM 0 HA ASP A 272 22.414 -0.962 6.183 1.00 1.02 H new ATOM 0 HB2 ASP A 272 24.199 -2.495 5.492 1.00 1.26 H new ATOM 0 HB3 ASP A 272 23.230 -3.213 6.764 1.00 1.26 H new ATOM 396 N ARG A 273 21.326 -1.969 3.274 1.00 1.07 N ATOM 397 CA ARG A 273 21.200 -1.608 1.868 1.00 1.28 C ATOM 398 C ARG A 273 20.502 -0.256 1.715 1.00 1.10 C ATOM 399 O ARG A 273 20.659 0.427 0.704 1.00 1.41 O ATOM 400 CB ARG A 273 20.419 -2.692 1.114 1.00 1.59 C ATOM 401 CG ARG A 273 21.041 -3.077 -0.220 1.00 1.84 C ATOM 402 CD ARG A 273 20.763 -2.036 -1.290 1.00 1.60 C ATOM 403 NE ARG A 273 21.663 -2.175 -2.432 1.00 1.78 N ATOM 404 CZ ARG A 273 21.602 -1.421 -3.528 1.00 2.01 C ATOM 405 NH1 ARG A 273 20.653 -0.499 -3.656 1.00 1.92 N ATOM 406 NH2 ARG A 273 22.484 -1.598 -4.500 1.00 2.63 N ATOM 0 H ARG A 273 20.736 -2.749 3.563 1.00 1.07 H new ATOM 0 HA ARG A 273 22.201 -1.528 1.443 1.00 1.28 H new ATOM 0 HB2 ARG A 273 20.349 -3.580 1.742 1.00 1.59 H new ATOM 0 HB3 ARG A 273 19.401 -2.341 0.943 1.00 1.59 H new ATOM 0 HG2 ARG A 273 22.118 -3.196 -0.099 1.00 1.84 H new ATOM 0 HG3 ARG A 273 20.648 -4.042 -0.540 1.00 1.84 H new ATOM 0 HD2 ARG A 273 19.731 -2.129 -1.628 1.00 1.60 H new ATOM 0 HD3 ARG A 273 20.870 -1.039 -0.863 1.00 1.60 H new ATOM 0 HE ARG A 273 22.384 -2.895 -2.387 1.00 1.78 H new ATOM 0 HH11 ARG A 273 19.967 -0.366 -2.913 1.00 1.92 H new ATOM 0 HH12 ARG A 273 20.611 0.076 -4.497 1.00 1.92 H new ATOM 0 HH21 ARG A 273 23.208 -2.311 -4.408 1.00 2.63 H new ATOM 0 HH22 ARG A 273 22.439 -1.022 -5.340 1.00 2.63 H new ATOM 420 N GLY A 274 19.761 0.147 2.739 1.00 0.89 N ATOM 421 CA GLY A 274 19.044 1.404 2.689 1.00 0.89 C ATOM 422 C GLY A 274 17.672 1.230 2.079 1.00 0.72 C ATOM 423 O GLY A 274 16.658 1.393 2.757 1.00 0.97 O ATOM 0 H GLY A 274 19.644 -0.377 3.606 1.00 0.89 H new ATOM 0 HA2 GLY A 274 18.948 1.810 3.696 1.00 0.89 H new ATOM 0 HA3 GLY A 274 19.614 2.127 2.106 1.00 0.89 H new ATOM 427 N ASP A 275 17.642 0.875 0.802 1.00 0.65 N ATOM 428 CA ASP A 275 16.391 0.658 0.090 1.00 0.66 C ATOM 429 C ASP A 275 15.991 -0.807 0.192 1.00 0.69 C ATOM 430 O ASP A 275 16.844 -1.682 0.359 1.00 1.44 O ATOM 431 CB ASP A 275 16.521 1.074 -1.383 1.00 0.91 C ATOM 432 CG ASP A 275 17.527 0.235 -2.152 1.00 1.10 C ATOM 433 OD1 ASP A 275 18.743 0.492 -2.021 1.00 1.75 O ATOM 434 OD2 ASP A 275 17.106 -0.670 -2.901 1.00 1.53 O ATOM 0 H ASP A 275 18.477 0.730 0.234 1.00 0.65 H new ATOM 0 HA ASP A 275 15.617 1.274 0.548 1.00 0.66 H new ATOM 0 HB2 ASP A 275 15.546 0.994 -1.864 1.00 0.91 H new ATOM 0 HB3 ASP A 275 16.816 2.122 -1.434 1.00 0.91 H new ATOM 439 N GLY A 276 14.697 -1.070 0.107 1.00 0.48 N ATOM 440 CA GLY A 276 14.213 -2.433 0.203 1.00 0.43 C ATOM 441 C GLY A 276 12.771 -2.563 -0.230 1.00 0.37 C ATOM 442 O GLY A 276 12.382 -3.573 -0.810 1.00 0.52 O ATOM 0 H GLY A 276 13.972 -0.365 -0.027 1.00 0.48 H new ATOM 0 HA2 GLY A 276 14.835 -3.081 -0.414 1.00 0.43 H new ATOM 0 HA3 GLY A 276 14.314 -2.780 1.231 1.00 0.43 H new ATOM 446 N GLY A 277 11.975 -1.543 0.048 1.00 0.30 N ATOM 447 CA GLY A 277 10.582 -1.578 -0.331 1.00 0.29 C ATOM 448 C GLY A 277 9.662 -1.457 0.863 1.00 0.24 C ATOM 449 O GLY A 277 10.118 -1.424 2.010 1.00 0.27 O ATOM 0 H GLY A 277 12.270 -0.693 0.529 1.00 0.30 H new ATOM 0 HA2 GLY A 277 10.377 -0.767 -1.029 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.373 -2.510 -0.855 1.00 0.29 H new ATOM 453 N ILE A 278 8.368 -1.388 0.594 1.00 0.21 N ATOM 454 CA ILE A 278 7.376 -1.263 1.646 1.00 0.19 C ATOM 455 C ILE A 278 6.465 -2.490 1.683 1.00 0.18 C ATOM 456 O ILE A 278 5.910 -2.902 0.661 1.00 0.23 O ATOM 457 CB ILE A 278 6.536 0.019 1.474 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.113 0.202 0.010 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.329 1.229 1.958 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.130 1.336 -0.205 1.00 0.27 C ATOM 0 H ILE A 278 7.980 -1.417 -0.349 1.00 0.21 H new ATOM 0 HA ILE A 278 7.910 -1.196 2.594 1.00 0.19 H new ATOM 0 HB ILE A 278 5.632 -0.074 2.076 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.001 0.384 -0.595 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.667 -0.726 -0.349 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.729 2.131 1.833 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.579 1.102 3.011 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.246 1.320 1.376 1.00 0.23 H new ATOM 0 HD11 ILE A 278 4.878 1.403 -1.263 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.225 1.147 0.372 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.579 2.274 0.121 1.00 0.27 H new ATOM 472 N TYR A 279 6.332 -3.072 2.863 1.00 0.15 N ATOM 473 CA TYR A 279 5.509 -4.258 3.048 1.00 0.16 C ATOM 474 C TYR A 279 4.309 -3.951 3.936 1.00 0.15 C ATOM 475 O TYR A 279 4.327 -2.990 4.710 1.00 0.18 O ATOM 476 CB TYR A 279 6.333 -5.382 3.687 1.00 0.19 C ATOM 477 CG TYR A 279 7.521 -5.842 2.861 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.726 -5.148 2.887 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.439 -6.979 2.070 1.00 0.44 C ATOM 480 CE1 TYR A 279 9.815 -5.575 2.147 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.522 -7.411 1.327 1.00 0.57 C ATOM 482 CZ TYR A 279 9.706 -6.706 1.369 1.00 0.55 C ATOM 483 OH TYR A 279 10.788 -7.139 0.636 1.00 0.72 O ATOM 0 H TYR A 279 6.787 -2.740 3.714 1.00 0.15 H new ATOM 0 HA TYR A 279 5.154 -4.576 2.068 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.692 -5.044 4.659 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.680 -6.236 3.868 1.00 0.19 H new ATOM 0 HD1 TYR A 279 8.814 -4.260 3.495 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.514 -7.536 2.034 1.00 0.44 H new ATOM 0 HE1 TYR A 279 10.744 -5.025 2.180 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.441 -8.298 0.716 1.00 0.57 H new ATOM 0 HH TYR A 279 10.545 -7.950 0.143 1.00 0.72 H new ATOM 493 N ILE A 280 3.268 -4.764 3.814 1.00 0.16 N ATOM 494 CA ILE A 280 2.066 -4.601 4.621 1.00 0.16 C ATOM 495 C ILE A 280 2.280 -5.208 6.006 1.00 0.17 C ATOM 496 O ILE A 280 2.467 -6.419 6.138 1.00 0.21 O ATOM 497 CB ILE A 280 0.842 -5.274 3.955 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.609 -4.710 2.548 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.407 -5.095 4.813 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.307 -3.228 2.526 1.00 0.24 C ATOM 0 H ILE A 280 3.232 -5.547 3.161 1.00 0.16 H new ATOM 0 HA ILE A 280 1.869 -3.533 4.709 1.00 0.16 H new ATOM 0 HB ILE A 280 1.050 -6.340 3.868 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.493 -4.900 1.940 1.00 0.21 H new ATOM 0 HG13 ILE A 280 -0.219 -5.247 2.084 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.255 -5.576 4.326 1.00 0.21 H new ATOM 0 HG22 ILE A 280 -0.245 -5.549 5.791 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.614 -4.032 4.936 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.154 -2.903 1.497 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.595 -3.032 3.106 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.144 -2.680 2.959 1.00 0.24 H new ATOM 512 N GLY A 281 2.265 -4.367 7.032 1.00 0.20 N ATOM 513 CA GLY A 281 2.465 -4.845 8.387 1.00 0.23 C ATOM 514 C GLY A 281 1.251 -5.566 8.938 1.00 0.24 C ATOM 515 O GLY A 281 1.334 -6.731 9.326 1.00 0.42 O ATOM 0 H GLY A 281 2.118 -3.361 6.950 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.322 -5.518 8.408 1.00 0.23 H new ATOM 0 HA3 GLY A 281 2.706 -4.001 9.034 1.00 0.23 H new ATOM 519 N SER A 282 0.124 -4.875 8.973 1.00 0.25 N ATOM 520 CA SER A 282 -1.117 -5.446 9.480 1.00 0.29 C ATOM 521 C SER A 282 -2.314 -4.789 8.802 1.00 0.26 C ATOM 522 O SER A 282 -2.186 -3.707 8.223 1.00 0.30 O ATOM 523 CB SER A 282 -1.193 -5.257 10.997 1.00 0.35 C ATOM 524 OG SER A 282 -0.727 -3.970 11.374 1.00 0.75 O ATOM 0 H SER A 282 0.041 -3.910 8.654 1.00 0.25 H new ATOM 0 HA SER A 282 -1.136 -6.513 9.256 1.00 0.29 H new ATOM 0 HB2 SER A 282 -2.222 -5.388 11.332 1.00 0.35 H new ATOM 0 HB3 SER A 282 -0.597 -6.023 11.493 1.00 0.35 H new ATOM 0 HG SER A 282 -0.787 -3.873 12.347 1.00 0.75 H new ATOM 530 N ILE A 283 -3.470 -5.439 8.877 1.00 0.24 N ATOM 531 CA ILE A 283 -4.682 -4.914 8.266 1.00 0.23 C ATOM 532 C ILE A 283 -5.716 -4.580 9.335 1.00 0.23 C ATOM 533 O ILE A 283 -5.940 -5.361 10.259 1.00 0.30 O ATOM 534 CB ILE A 283 -5.294 -5.913 7.262 1.00 0.27 C ATOM 535 CG1 ILE A 283 -4.242 -6.352 6.242 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.491 -5.293 6.552 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.752 -7.363 5.239 1.00 0.53 C ATOM 0 H ILE A 283 -3.592 -6.331 9.356 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.404 -4.009 7.726 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.635 -6.790 7.813 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.879 -5.474 5.707 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -3.390 -6.777 6.772 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.909 -6.012 5.848 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -7.249 -5.021 7.287 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -6.172 -4.401 6.013 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.951 -7.627 4.549 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -5.088 -8.258 5.763 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.585 -6.934 4.682 1.00 0.53 H new ATOM 549 N MET A 284 -6.334 -3.416 9.206 1.00 0.20 N ATOM 550 CA MET A 284 -7.345 -2.968 10.155 1.00 0.21 C ATOM 551 C MET A 284 -8.744 -3.302 9.656 1.00 0.22 C ATOM 552 O MET A 284 -9.124 -2.927 8.543 1.00 0.23 O ATOM 553 CB MET A 284 -7.227 -1.459 10.385 1.00 0.24 C ATOM 554 CG MET A 284 -5.932 -1.034 11.056 1.00 0.35 C ATOM 555 SD MET A 284 -5.778 -1.638 12.751 1.00 0.54 S ATOM 556 CE MET A 284 -4.663 -3.022 12.518 1.00 0.74 C ATOM 0 H MET A 284 -6.152 -2.759 8.447 1.00 0.20 H new ATOM 0 HA MET A 284 -7.177 -3.490 11.097 1.00 0.21 H new ATOM 0 HB2 MET A 284 -7.311 -0.948 9.426 1.00 0.24 H new ATOM 0 HB3 MET A 284 -8.066 -1.129 10.997 1.00 0.24 H new ATOM 0 HG2 MET A 284 -5.089 -1.399 10.469 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.871 0.054 11.058 1.00 0.35 H new ATOM 0 HE1 MET A 284 -5.107 -3.922 12.943 1.00 0.74 H new ATOM 0 HE2 MET A 284 -4.487 -3.172 11.453 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.716 -2.814 13.017 1.00 0.74 H new ATOM 566 N LYS A 285 -9.503 -4.009 10.487 1.00 0.28 N ATOM 567 CA LYS A 285 -10.867 -4.398 10.147 1.00 0.33 C ATOM 568 C LYS A 285 -11.731 -3.156 9.947 1.00 0.33 C ATOM 569 O LYS A 285 -11.809 -2.295 10.824 1.00 0.46 O ATOM 570 CB LYS A 285 -11.453 -5.289 11.251 1.00 0.43 C ATOM 571 CG LYS A 285 -12.807 -5.889 10.912 1.00 0.49 C ATOM 572 CD LYS A 285 -12.711 -6.870 9.754 1.00 0.63 C ATOM 573 CE LYS A 285 -13.922 -7.792 9.700 1.00 0.83 C ATOM 574 NZ LYS A 285 -15.192 -7.043 9.507 1.00 1.01 N ATOM 0 H LYS A 285 -9.194 -4.326 11.406 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.853 -4.965 9.216 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.752 -6.097 11.461 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.546 -4.702 12.165 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -13.210 -6.398 11.788 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -13.505 -5.092 10.657 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -12.629 -6.320 8.816 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -11.804 -7.465 9.855 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -13.796 -8.506 8.886 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -13.979 -8.368 10.624 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -15.972 -7.715 9.358 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -15.387 -6.467 10.351 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -15.106 -6.422 8.677 1.00 1.01 H new ATOM 588 N GLY A 286 -12.360 -3.058 8.785 1.00 0.33 N ATOM 589 CA GLY A 286 -13.193 -1.910 8.483 1.00 0.35 C ATOM 590 C GLY A 286 -12.618 -1.099 7.344 1.00 0.30 C ATOM 591 O GLY A 286 -13.309 -0.283 6.729 1.00 0.36 O ATOM 0 H GLY A 286 -12.309 -3.756 8.043 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -14.197 -2.245 8.223 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -13.286 -1.282 9.369 1.00 0.35 H new ATOM 595 N GLY A 287 -11.340 -1.323 7.068 1.00 0.26 N ATOM 596 CA GLY A 287 -10.680 -0.621 5.992 1.00 0.24 C ATOM 597 C GLY A 287 -10.985 -1.239 4.645 1.00 0.22 C ATOM 598 O GLY A 287 -11.493 -2.361 4.571 1.00 0.24 O ATOM 0 H GLY A 287 -10.749 -1.982 7.574 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.995 0.423 5.992 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.603 -0.629 6.160 1.00 0.24 H new ATOM 602 N ALA A 288 -10.671 -0.516 3.583 1.00 0.21 N ATOM 603 CA ALA A 288 -10.916 -0.991 2.229 1.00 0.22 C ATOM 604 C ALA A 288 -10.143 -2.277 1.940 1.00 0.22 C ATOM 605 O ALA A 288 -10.659 -3.187 1.294 1.00 0.25 O ATOM 606 CB ALA A 288 -10.550 0.088 1.222 1.00 0.24 C ATOM 0 H ALA A 288 -10.243 0.409 3.632 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.978 -1.217 2.138 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.737 -0.278 0.212 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -11.155 0.976 1.404 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.495 0.340 1.327 1.00 0.24 H new ATOM 612 N VAL A 289 -8.913 -2.354 2.440 1.00 0.20 N ATOM 613 CA VAL A 289 -8.072 -3.530 2.231 1.00 0.21 C ATOM 614 C VAL A 289 -8.651 -4.750 2.950 1.00 0.23 C ATOM 615 O VAL A 289 -8.517 -5.882 2.482 1.00 0.26 O ATOM 616 CB VAL A 289 -6.626 -3.282 2.714 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.742 -4.487 2.432 1.00 0.23 C ATOM 618 CG2 VAL A 289 -6.049 -2.037 2.056 1.00 0.20 C ATOM 0 H VAL A 289 -8.476 -1.617 2.993 1.00 0.20 H new ATOM 0 HA VAL A 289 -8.051 -3.725 1.159 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.654 -3.126 3.792 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.730 -4.285 2.782 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.139 -5.359 2.952 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.723 -4.681 1.360 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -5.030 -1.878 2.408 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -6.043 -2.167 0.974 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.661 -1.172 2.314 1.00 0.20 H new ATOM 628 N ALA A 290 -9.322 -4.510 4.071 1.00 0.23 N ATOM 629 CA ALA A 290 -9.919 -5.586 4.853 1.00 0.27 C ATOM 630 C ALA A 290 -11.136 -6.170 4.146 1.00 0.29 C ATOM 631 O ALA A 290 -11.547 -7.295 4.424 1.00 0.37 O ATOM 632 CB ALA A 290 -10.309 -5.083 6.234 1.00 0.29 C ATOM 0 H ALA A 290 -9.466 -3.578 4.459 1.00 0.23 H new ATOM 0 HA ALA A 290 -9.175 -6.376 4.959 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.753 -5.898 6.806 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.422 -4.717 6.752 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -11.031 -4.273 6.135 1.00 0.29 H new ATOM 638 N ALA A 291 -11.701 -5.406 3.225 1.00 0.29 N ATOM 639 CA ALA A 291 -12.875 -5.846 2.489 1.00 0.32 C ATOM 640 C ALA A 291 -12.495 -6.613 1.225 1.00 0.32 C ATOM 641 O ALA A 291 -13.346 -7.238 0.596 1.00 0.41 O ATOM 642 CB ALA A 291 -13.744 -4.652 2.135 1.00 0.38 C ATOM 0 H ALA A 291 -11.365 -4.477 2.969 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.436 -6.525 3.131 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.621 -4.991 1.584 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -14.061 -4.149 3.049 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -13.174 -3.957 1.518 1.00 0.38 H new ATOM 648 N ASP A 292 -11.219 -6.563 0.853 1.00 0.31 N ATOM 649 CA ASP A 292 -10.754 -7.255 -0.346 1.00 0.32 C ATOM 650 C ASP A 292 -10.608 -8.755 -0.097 1.00 0.30 C ATOM 651 O ASP A 292 -11.403 -9.549 -0.598 1.00 0.38 O ATOM 652 CB ASP A 292 -9.431 -6.673 -0.829 1.00 0.37 C ATOM 653 CG ASP A 292 -8.964 -7.349 -2.100 1.00 0.43 C ATOM 654 OD1 ASP A 292 -9.562 -7.101 -3.168 1.00 0.55 O ATOM 655 OD2 ASP A 292 -8.011 -8.146 -2.035 1.00 0.45 O ATOM 0 H ASP A 292 -10.494 -6.055 1.359 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.505 -7.108 -1.122 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.544 -5.603 -1.004 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.675 -6.791 -0.053 1.00 0.37 H new ATOM 660 N GLY A 293 -9.586 -9.141 0.660 1.00 0.29 N ATOM 661 CA GLY A 293 -9.390 -10.546 0.968 1.00 0.33 C ATOM 662 C GLY A 293 -8.133 -11.139 0.360 1.00 0.33 C ATOM 663 O GLY A 293 -7.684 -12.207 0.782 1.00 0.39 O ATOM 0 H GLY A 293 -8.894 -8.510 1.064 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -9.351 -10.669 2.050 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -10.254 -11.109 0.614 1.00 0.33 H new ATOM 667 N ARG A 294 -7.559 -10.466 -0.630 1.00 0.31 N ATOM 668 CA ARG A 294 -6.350 -10.964 -1.278 1.00 0.32 C ATOM 669 C ARG A 294 -5.102 -10.446 -0.579 1.00 0.30 C ATOM 670 O ARG A 294 -4.190 -11.218 -0.272 1.00 0.37 O ATOM 671 CB ARG A 294 -6.322 -10.563 -2.751 1.00 0.35 C ATOM 672 CG ARG A 294 -7.352 -11.290 -3.597 1.00 0.41 C ATOM 673 CD ARG A 294 -7.508 -10.639 -4.960 1.00 0.44 C ATOM 674 NE ARG A 294 -8.185 -9.346 -4.878 1.00 0.43 N ATOM 675 CZ ARG A 294 -8.682 -8.695 -5.931 1.00 0.54 C ATOM 676 NH1 ARG A 294 -8.541 -9.189 -7.152 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.317 -7.548 -5.755 1.00 0.58 N ATOM 0 H ARG A 294 -7.907 -9.581 -1.000 1.00 0.31 H new ATOM 0 HA ARG A 294 -6.362 -12.052 -1.208 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.491 -9.489 -2.830 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.328 -10.760 -3.154 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -7.054 -12.331 -3.721 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -8.312 -11.293 -3.081 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.525 -10.505 -5.412 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -8.072 -11.302 -5.616 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.283 -8.915 -3.959 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.050 -10.072 -7.291 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -8.923 -8.686 -7.953 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.425 -7.164 -4.816 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -9.698 -7.048 -6.558 1.00 0.58 H new ATOM 691 N ILE A 295 -5.058 -9.139 -0.346 1.00 0.26 N ATOM 692 CA ILE A 295 -3.918 -8.523 0.323 1.00 0.25 C ATOM 693 C ILE A 295 -3.861 -8.965 1.780 1.00 0.25 C ATOM 694 O ILE A 295 -4.889 -9.025 2.462 1.00 0.29 O ATOM 695 CB ILE A 295 -3.973 -6.980 0.261 1.00 0.25 C ATOM 696 CG1 ILE A 295 -4.150 -6.504 -1.188 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.710 -6.379 0.868 1.00 0.27 C ATOM 698 CD1 ILE A 295 -4.174 -4.996 -1.337 1.00 0.37 C ATOM 0 H ILE A 295 -5.797 -8.487 -0.610 1.00 0.26 H new ATOM 0 HA ILE A 295 -3.022 -8.852 -0.203 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.832 -6.642 0.841 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -3.339 -6.907 -1.795 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -5.079 -6.914 -1.585 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.764 -5.292 0.817 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.623 -6.690 1.909 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.839 -6.726 0.312 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.302 -4.736 -2.388 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -5.002 -4.586 -0.758 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.235 -4.579 -0.972 1.00 0.37 H new ATOM 710 N GLU A 296 -2.663 -9.281 2.242 1.00 0.24 N ATOM 711 CA GLU A 296 -2.456 -9.727 3.607 1.00 0.26 C ATOM 712 C GLU A 296 -1.131 -9.192 4.144 1.00 0.24 C ATOM 713 O GLU A 296 -0.291 -8.720 3.374 1.00 0.22 O ATOM 714 CB GLU A 296 -2.459 -11.257 3.652 1.00 0.31 C ATOM 715 CG GLU A 296 -1.218 -11.886 3.041 1.00 0.36 C ATOM 716 CD GLU A 296 -1.311 -13.388 2.963 1.00 0.49 C ATOM 717 OE1 GLU A 296 -0.955 -14.062 3.955 1.00 0.69 O ATOM 718 OE2 GLU A 296 -1.728 -13.900 1.903 1.00 0.56 O ATOM 0 H GLU A 296 -1.811 -9.236 1.683 1.00 0.24 H new ATOM 0 HA GLU A 296 -3.264 -9.346 4.232 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -2.548 -11.581 4.689 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -3.340 -11.626 3.126 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -1.065 -11.482 2.040 1.00 0.36 H new ATOM 0 HG3 GLU A 296 -0.345 -11.609 3.633 1.00 0.36 H new ATOM 725 N PRO A 297 -0.931 -9.231 5.473 1.00 0.26 N ATOM 726 CA PRO A 297 0.317 -8.777 6.091 1.00 0.27 C ATOM 727 C PRO A 297 1.510 -9.581 5.584 1.00 0.27 C ATOM 728 O PRO A 297 1.630 -10.777 5.854 1.00 0.41 O ATOM 729 CB PRO A 297 0.093 -9.034 7.584 1.00 0.32 C ATOM 730 CG PRO A 297 -1.382 -9.097 7.750 1.00 0.34 C ATOM 731 CD PRO A 297 -1.904 -9.695 6.478 1.00 0.32 C ATOM 0 HA PRO A 297 0.541 -7.735 5.862 1.00 0.27 H new ATOM 0 HB2 PRO A 297 0.565 -9.965 7.899 1.00 0.32 H new ATOM 0 HB3 PRO A 297 0.524 -8.237 8.190 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -1.654 -9.707 8.611 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.801 -8.105 7.918 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.944 -10.783 6.530 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.913 -9.349 6.253 1.00 0.32 H new ATOM 739 N GLY A 298 2.381 -8.921 4.843 1.00 0.27 N ATOM 740 CA GLY A 298 3.541 -9.582 4.287 1.00 0.28 C ATOM 741 C GLY A 298 3.708 -9.254 2.822 1.00 0.25 C ATOM 742 O GLY A 298 4.792 -9.403 2.260 1.00 0.29 O ATOM 0 H GLY A 298 2.305 -7.930 4.614 1.00 0.27 H new ATOM 0 HA2 GLY A 298 4.433 -9.278 4.834 1.00 0.28 H new ATOM 0 HA3 GLY A 298 3.443 -10.660 4.412 1.00 0.28 H new ATOM 746 N ASP A 299 2.623 -8.803 2.205 1.00 0.22 N ATOM 747 CA ASP A 299 2.636 -8.441 0.794 1.00 0.22 C ATOM 748 C ASP A 299 3.433 -7.162 0.586 1.00 0.20 C ATOM 749 O ASP A 299 3.440 -6.277 1.445 1.00 0.21 O ATOM 750 CB ASP A 299 1.211 -8.248 0.270 1.00 0.24 C ATOM 751 CG ASP A 299 0.395 -9.529 0.282 1.00 0.27 C ATOM 752 OD1 ASP A 299 0.990 -10.628 0.279 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.850 -9.448 0.293 1.00 0.28 O ATOM 0 H ASP A 299 1.720 -8.679 2.662 1.00 0.22 H new ATOM 0 HA ASP A 299 3.107 -9.253 0.240 1.00 0.22 H new ATOM 0 HB2 ASP A 299 0.706 -7.496 0.876 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.254 -7.861 -0.748 1.00 0.24 H new ATOM 758 N MET A 300 4.109 -7.070 -0.548 1.00 0.21 N ATOM 759 CA MET A 300 4.906 -5.896 -0.865 1.00 0.21 C ATOM 760 C MET A 300 4.191 -5.021 -1.885 1.00 0.19 C ATOM 761 O MET A 300 3.633 -5.522 -2.860 1.00 0.21 O ATOM 762 CB MET A 300 6.276 -6.315 -1.402 1.00 0.27 C ATOM 763 CG MET A 300 7.158 -5.140 -1.797 1.00 0.32 C ATOM 764 SD MET A 300 8.839 -5.638 -2.201 1.00 0.50 S ATOM 765 CE MET A 300 9.501 -4.107 -2.852 1.00 1.26 C ATOM 0 H MET A 300 4.122 -7.795 -1.265 1.00 0.21 H new ATOM 0 HA MET A 300 5.045 -5.319 0.049 1.00 0.21 H new ATOM 0 HB2 MET A 300 6.790 -6.906 -0.644 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.136 -6.961 -2.268 1.00 0.27 H new ATOM 0 HG2 MET A 300 6.718 -4.633 -2.655 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.184 -4.419 -0.980 1.00 0.32 H new ATOM 0 HE1 MET A 300 10.547 -4.010 -2.561 1.00 1.26 H new ATOM 0 HE2 MET A 300 9.425 -4.111 -3.939 1.00 1.26 H new ATOM 0 HE3 MET A 300 8.934 -3.266 -2.452 1.00 1.26 H new ATOM 775 N LEU A 301 4.209 -3.716 -1.653 1.00 0.19 N ATOM 776 CA LEU A 301 3.567 -2.769 -2.554 1.00 0.19 C ATOM 777 C LEU A 301 4.536 -2.351 -3.651 1.00 0.20 C ATOM 778 O LEU A 301 5.635 -1.875 -3.366 1.00 0.24 O ATOM 779 CB LEU A 301 3.089 -1.534 -1.780 1.00 0.23 C ATOM 780 CG LEU A 301 1.993 -1.795 -0.746 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.997 -0.708 0.316 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.630 -1.874 -1.424 1.00 0.47 C ATOM 0 H LEU A 301 4.663 -3.288 -0.846 1.00 0.19 H new ATOM 0 HA LEU A 301 2.703 -3.254 -3.008 1.00 0.19 H new ATOM 0 HB2 LEU A 301 3.945 -1.089 -1.273 1.00 0.23 H new ATOM 0 HB3 LEU A 301 2.723 -0.797 -2.495 1.00 0.23 H new ATOM 0 HG LEU A 301 2.193 -2.751 -0.262 1.00 0.33 H new ATOM 0 HD11 LEU A 301 1.211 -0.908 1.044 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.964 -0.695 0.819 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.819 0.260 -0.153 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.139 -2.060 -0.674 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.421 -0.932 -1.932 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.632 -2.686 -2.151 1.00 0.47 H new ATOM 794 N LEU A 302 4.140 -2.552 -4.899 1.00 0.20 N ATOM 795 CA LEU A 302 4.982 -2.189 -6.031 1.00 0.22 C ATOM 796 C LEU A 302 4.450 -0.942 -6.723 1.00 0.22 C ATOM 797 O LEU A 302 5.055 0.126 -6.658 1.00 0.29 O ATOM 798 CB LEU A 302 5.052 -3.342 -7.040 1.00 0.27 C ATOM 799 CG LEU A 302 5.631 -4.655 -6.515 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.542 -5.729 -7.588 1.00 0.53 C ATOM 801 CD2 LEU A 302 7.074 -4.464 -6.069 1.00 0.46 C ATOM 0 H LEU A 302 3.242 -2.964 -5.154 1.00 0.20 H new ATOM 0 HA LEU A 302 5.982 -1.983 -5.650 1.00 0.22 H new ATOM 0 HB2 LEU A 302 4.046 -3.534 -7.413 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.651 -3.018 -7.891 1.00 0.27 H new ATOM 0 HG LEU A 302 5.048 -4.973 -5.651 1.00 0.37 H new ATOM 0 HD11 LEU A 302 5.957 -6.661 -7.205 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.499 -5.882 -7.864 1.00 0.53 H new ATOM 0 HD13 LEU A 302 6.107 -5.414 -8.466 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.469 -5.410 -5.698 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.674 -4.127 -6.914 1.00 0.46 H new ATOM 0 HD23 LEU A 302 7.114 -3.718 -5.275 1.00 0.46 H new ATOM 813 N GLN A 303 3.304 -1.088 -7.373 1.00 0.21 N ATOM 814 CA GLN A 303 2.686 0.010 -8.097 1.00 0.22 C ATOM 815 C GLN A 303 1.292 0.290 -7.552 1.00 0.21 C ATOM 816 O GLN A 303 0.450 -0.605 -7.489 1.00 0.25 O ATOM 817 CB GLN A 303 2.614 -0.331 -9.589 1.00 0.27 C ATOM 818 CG GLN A 303 2.042 0.785 -10.449 1.00 0.32 C ATOM 819 CD GLN A 303 1.826 0.364 -11.889 1.00 0.51 C ATOM 820 OE1 GLN A 303 0.917 0.857 -12.561 1.00 0.68 O ATOM 821 NE2 GLN A 303 2.652 -0.555 -12.371 1.00 0.73 N ATOM 0 H GLN A 303 2.782 -1.963 -7.413 1.00 0.21 H new ATOM 0 HA GLN A 303 3.292 0.906 -7.964 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.615 -0.574 -9.945 1.00 0.27 H new ATOM 0 HB3 GLN A 303 2.004 -1.225 -9.718 1.00 0.27 H new ATOM 0 HG2 GLN A 303 1.093 1.114 -10.025 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.717 1.640 -10.423 1.00 0.32 H new ATOM 0 HE21 GLN A 303 3.391 -0.937 -11.780 1.00 0.73 H new ATOM 0 HE22 GLN A 303 2.548 -0.880 -13.332 1.00 0.73 H new ATOM 830 N VAL A 304 1.055 1.527 -7.153 1.00 0.20 N ATOM 831 CA VAL A 304 -0.239 1.922 -6.617 1.00 0.21 C ATOM 832 C VAL A 304 -0.784 3.115 -7.385 1.00 0.22 C ATOM 833 O VAL A 304 -0.356 4.243 -7.171 1.00 0.26 O ATOM 834 CB VAL A 304 -0.154 2.281 -5.120 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.527 2.650 -4.574 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.448 1.131 -4.324 1.00 0.27 C ATOM 0 H VAL A 304 1.743 2.279 -7.190 1.00 0.20 H new ATOM 0 HA VAL A 304 -0.908 1.069 -6.728 1.00 0.21 H new ATOM 0 HB VAL A 304 0.498 3.148 -5.016 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.443 2.900 -3.516 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.917 3.509 -5.120 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.206 1.806 -4.695 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.499 1.405 -3.270 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.175 0.244 -4.438 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.452 0.919 -4.693 1.00 0.27 H new ATOM 846 N ASN A 305 -1.717 2.848 -8.287 1.00 0.27 N ATOM 847 CA ASN A 305 -2.332 3.891 -9.106 1.00 0.33 C ATOM 848 C ASN A 305 -1.301 4.570 -10.002 1.00 0.31 C ATOM 849 O ASN A 305 -0.980 5.746 -9.820 1.00 0.34 O ATOM 850 CB ASN A 305 -3.060 4.935 -8.243 1.00 0.39 C ATOM 851 CG ASN A 305 -4.547 4.657 -8.134 1.00 0.78 C ATOM 852 OD1 ASN A 305 -4.983 3.513 -8.219 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.339 5.700 -7.945 1.00 1.14 N ATOM 0 H ASN A 305 -2.070 1.909 -8.474 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.072 3.403 -9.740 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -2.621 4.948 -7.245 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -2.908 5.926 -8.671 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.347 5.567 -7.865 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -4.941 6.637 -7.879 1.00 1.14 H new ATOM 860 N ASP A 306 -0.762 3.790 -10.941 1.00 0.32 N ATOM 861 CA ASP A 306 0.222 4.262 -11.930 1.00 0.35 C ATOM 862 C ASP A 306 1.625 4.477 -11.356 1.00 0.31 C ATOM 863 O ASP A 306 2.610 4.101 -11.992 1.00 0.35 O ATOM 864 CB ASP A 306 -0.253 5.541 -12.626 1.00 0.42 C ATOM 865 CG ASP A 306 -1.011 5.254 -13.905 1.00 0.66 C ATOM 866 OD1 ASP A 306 -0.450 4.577 -14.795 1.00 1.06 O ATOM 867 OD2 ASP A 306 -2.175 5.692 -14.026 1.00 1.11 O ATOM 0 H ASP A 306 -0.996 2.802 -11.041 1.00 0.32 H new ATOM 0 HA ASP A 306 0.298 3.455 -12.659 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -0.892 6.105 -11.947 1.00 0.42 H new ATOM 0 HB3 ASP A 306 0.608 6.171 -12.850 1.00 0.42 H new ATOM 872 N VAL A 307 1.737 5.085 -10.184 1.00 0.30 N ATOM 873 CA VAL A 307 3.054 5.336 -9.600 1.00 0.29 C ATOM 874 C VAL A 307 3.722 4.035 -9.155 1.00 0.25 C ATOM 875 O VAL A 307 3.080 3.154 -8.583 1.00 0.28 O ATOM 876 CB VAL A 307 3.002 6.331 -8.419 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.459 7.670 -8.880 1.00 0.71 C ATOM 878 CG2 VAL A 307 2.174 5.792 -7.271 1.00 0.53 C ATOM 0 H VAL A 307 0.949 5.410 -9.624 1.00 0.30 H new ATOM 0 HA VAL A 307 3.652 5.792 -10.389 1.00 0.29 H new ATOM 0 HB VAL A 307 4.021 6.468 -8.056 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.428 8.360 -8.037 1.00 0.71 H new ATOM 0 HG12 VAL A 307 3.105 8.076 -9.658 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.453 7.537 -9.277 1.00 0.71 H new ATOM 0 HG21 VAL A 307 2.161 6.519 -6.459 1.00 0.53 H new ATOM 0 HG22 VAL A 307 1.155 5.610 -7.612 1.00 0.53 H new ATOM 0 HG23 VAL A 307 2.610 4.859 -6.915 1.00 0.53 H new ATOM 888 N ASN A 308 5.012 3.923 -9.439 1.00 0.25 N ATOM 889 CA ASN A 308 5.781 2.741 -9.084 1.00 0.25 C ATOM 890 C ASN A 308 6.780 3.090 -7.990 1.00 0.24 C ATOM 891 O ASN A 308 7.473 4.102 -8.082 1.00 0.33 O ATOM 892 CB ASN A 308 6.505 2.199 -10.318 1.00 0.33 C ATOM 893 CG ASN A 308 7.044 0.798 -10.117 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.501 0.017 -9.339 1.00 0.58 O ATOM 895 ND2 ASN A 308 8.112 0.465 -10.823 1.00 0.74 N ATOM 0 H ASN A 308 5.551 4.644 -9.919 1.00 0.25 H new ATOM 0 HA ASN A 308 5.107 1.969 -8.712 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.819 2.201 -11.165 1.00 0.33 H new ATOM 0 HB3 ASN A 308 7.328 2.867 -10.572 1.00 0.33 H new ATOM 0 HD21 ASN A 308 8.513 -0.468 -10.732 1.00 0.74 H new ATOM 0 HD22 ASN A 308 8.534 1.142 -11.459 1.00 0.74 H new ATOM 902 N PHE A 309 6.847 2.258 -6.960 1.00 0.22 N ATOM 903 CA PHE A 309 7.750 2.500 -5.839 1.00 0.24 C ATOM 904 C PHE A 309 8.950 1.560 -5.862 1.00 0.26 C ATOM 905 O PHE A 309 9.693 1.473 -4.886 1.00 0.30 O ATOM 906 CB PHE A 309 7.005 2.334 -4.512 1.00 0.28 C ATOM 907 CG PHE A 309 5.792 3.213 -4.375 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.891 4.583 -4.541 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.555 2.665 -4.077 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.779 5.393 -4.417 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.438 3.469 -3.950 1.00 0.33 C ATOM 912 CZ PHE A 309 3.550 4.834 -4.119 1.00 0.33 C ATOM 0 H PHE A 309 6.288 1.409 -6.876 1.00 0.22 H new ATOM 0 HA PHE A 309 8.115 3.522 -5.935 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.700 1.293 -4.407 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.691 2.550 -3.693 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.850 5.025 -4.770 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.462 1.597 -3.942 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.869 6.461 -4.553 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.479 3.030 -3.719 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.679 5.465 -4.019 1.00 0.33 H new ATOM 922 N GLU A 310 9.143 0.868 -6.977 1.00 0.29 N ATOM 923 CA GLU A 310 10.254 -0.072 -7.108 1.00 0.33 C ATOM 924 C GLU A 310 11.603 0.642 -7.090 1.00 0.35 C ATOM 925 O GLU A 310 12.603 0.085 -6.639 1.00 0.47 O ATOM 926 CB GLU A 310 10.120 -0.878 -8.396 1.00 0.40 C ATOM 927 CG GLU A 310 9.031 -1.938 -8.349 1.00 0.54 C ATOM 928 CD GLU A 310 8.912 -2.692 -9.656 1.00 0.67 C ATOM 929 OE1 GLU A 310 9.727 -2.438 -10.564 1.00 1.21 O ATOM 930 OE2 GLU A 310 8.001 -3.536 -9.788 1.00 1.04 O ATOM 0 H GLU A 310 8.548 0.938 -7.803 1.00 0.29 H new ATOM 0 HA GLU A 310 10.213 -0.744 -6.251 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.914 -0.195 -9.220 1.00 0.40 H new ATOM 0 HB3 GLU A 310 11.073 -1.360 -8.612 1.00 0.40 H new ATOM 0 HG2 GLU A 310 9.245 -2.641 -7.544 1.00 0.54 H new ATOM 0 HG3 GLU A 310 8.077 -1.466 -8.115 1.00 0.54 H new ATOM 937 N ASN A 311 11.626 1.874 -7.580 1.00 0.35 N ATOM 938 CA ASN A 311 12.857 2.657 -7.623 1.00 0.41 C ATOM 939 C ASN A 311 12.691 3.968 -6.867 1.00 0.37 C ATOM 940 O ASN A 311 13.214 5.007 -7.272 1.00 0.48 O ATOM 941 CB ASN A 311 13.270 2.936 -9.069 1.00 0.54 C ATOM 942 CG ASN A 311 14.093 1.813 -9.667 1.00 0.89 C ATOM 943 OD1 ASN A 311 15.322 1.806 -9.569 1.00 1.27 O ATOM 944 ND2 ASN A 311 13.425 0.861 -10.299 1.00 1.32 N ATOM 0 H ASN A 311 10.807 2.354 -7.954 1.00 0.35 H new ATOM 0 HA ASN A 311 13.642 2.074 -7.141 1.00 0.41 H new ATOM 0 HB2 ASN A 311 12.377 3.089 -9.675 1.00 0.54 H new ATOM 0 HB3 ASN A 311 13.844 3.862 -9.107 1.00 0.54 H new ATOM 0 HD21 ASN A 311 13.928 0.084 -10.728 1.00 1.32 H new ATOM 0 HD22 ASN A 311 12.408 0.905 -10.357 1.00 1.32 H new ATOM 951 N MET A 312 11.954 3.913 -5.770 1.00 0.30 N ATOM 952 CA MET A 312 11.724 5.078 -4.933 1.00 0.28 C ATOM 953 C MET A 312 12.140 4.762 -3.506 1.00 0.26 C ATOM 954 O MET A 312 12.166 3.595 -3.113 1.00 0.34 O ATOM 955 CB MET A 312 10.253 5.502 -4.975 1.00 0.28 C ATOM 956 CG MET A 312 9.839 6.144 -6.293 1.00 0.39 C ATOM 957 SD MET A 312 8.131 6.735 -6.294 1.00 0.37 S ATOM 958 CE MET A 312 8.185 7.960 -4.989 1.00 0.51 C ATOM 0 H MET A 312 11.500 3.063 -5.436 1.00 0.30 H new ATOM 0 HA MET A 312 12.322 5.907 -5.312 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.627 4.628 -4.794 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.063 6.204 -4.163 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.505 6.979 -6.508 1.00 0.39 H new ATOM 0 HG3 MET A 312 9.966 5.420 -7.098 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.471 8.754 -5.206 1.00 0.51 H new ATOM 0 HE2 MET A 312 7.929 7.491 -4.039 1.00 0.51 H new ATOM 0 HE3 MET A 312 9.188 8.381 -4.927 1.00 0.51 H new ATOM 968 N SER A 313 12.485 5.785 -2.738 1.00 0.26 N ATOM 969 CA SER A 313 12.896 5.581 -1.360 1.00 0.28 C ATOM 970 C SER A 313 11.708 5.136 -0.519 1.00 0.24 C ATOM 971 O SER A 313 10.557 5.439 -0.846 1.00 0.26 O ATOM 972 CB SER A 313 13.500 6.868 -0.782 1.00 0.36 C ATOM 973 OG SER A 313 12.540 7.913 -0.721 1.00 0.97 O ATOM 0 H SER A 313 12.488 6.758 -3.044 1.00 0.26 H new ATOM 0 HA SER A 313 13.657 4.801 -1.338 1.00 0.28 H new ATOM 0 HB2 SER A 313 13.889 6.672 0.217 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.343 7.183 -1.396 1.00 0.36 H new ATOM 0 HG SER A 313 12.956 8.718 -0.347 1.00 0.97 H new ATOM 979 N ASN A 314 11.986 4.411 0.561 1.00 0.26 N ATOM 980 CA ASN A 314 10.929 3.934 1.450 1.00 0.27 C ATOM 981 C ASN A 314 10.152 5.121 2.015 1.00 0.25 C ATOM 982 O ASN A 314 8.978 5.007 2.358 1.00 0.33 O ATOM 983 CB ASN A 314 11.512 3.097 2.596 1.00 0.35 C ATOM 984 CG ASN A 314 12.259 1.865 2.114 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.974 1.320 1.047 1.00 0.45 O ATOM 986 ND2 ASN A 314 13.221 1.417 2.901 1.00 0.48 N ATOM 0 H ASN A 314 12.929 4.142 0.841 1.00 0.26 H new ATOM 0 HA ASN A 314 10.255 3.301 0.873 1.00 0.27 H new ATOM 0 HB2 ASN A 314 12.188 3.718 3.184 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.704 2.788 3.260 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.757 0.592 2.632 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.427 1.896 3.778 1.00 0.48 H new ATOM 993 N ASP A 315 10.832 6.264 2.086 1.00 0.26 N ATOM 994 CA ASP A 315 10.244 7.498 2.591 1.00 0.28 C ATOM 995 C ASP A 315 9.230 8.055 1.597 1.00 0.23 C ATOM 996 O ASP A 315 8.059 8.246 1.926 1.00 0.24 O ATOM 997 CB ASP A 315 11.340 8.547 2.833 1.00 0.37 C ATOM 998 CG ASP A 315 12.296 8.171 3.948 1.00 0.83 C ATOM 999 OD1 ASP A 315 13.037 7.174 3.799 1.00 1.40 O ATOM 1000 OD2 ASP A 315 12.326 8.883 4.973 1.00 1.36 O ATOM 0 H ASP A 315 11.805 6.358 1.795 1.00 0.26 H new ATOM 0 HA ASP A 315 9.739 7.273 3.530 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.905 8.690 1.912 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.872 9.502 3.072 1.00 0.37 H new ATOM 1005 N ASP A 316 9.687 8.282 0.368 1.00 0.23 N ATOM 1006 CA ASP A 316 8.840 8.841 -0.687 1.00 0.24 C ATOM 1007 C ASP A 316 7.687 7.909 -1.036 1.00 0.19 C ATOM 1008 O ASP A 316 6.607 8.360 -1.421 1.00 0.20 O ATOM 1009 CB ASP A 316 9.662 9.133 -1.949 1.00 0.32 C ATOM 1010 CG ASP A 316 10.347 10.487 -1.911 1.00 0.50 C ATOM 1011 OD1 ASP A 316 9.677 11.493 -1.590 1.00 0.69 O ATOM 1012 OD2 ASP A 316 11.558 10.555 -2.214 1.00 0.88 O ATOM 0 H ASP A 316 10.644 8.087 0.075 1.00 0.23 H new ATOM 0 HA ASP A 316 8.425 9.773 -0.303 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.415 8.355 -2.074 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.009 9.087 -2.820 1.00 0.32 H new ATOM 1017 N ALA A 317 7.926 6.613 -0.894 1.00 0.17 N ATOM 1018 CA ALA A 317 6.926 5.597 -1.198 1.00 0.16 C ATOM 1019 C ALA A 317 5.625 5.824 -0.426 1.00 0.14 C ATOM 1020 O ALA A 317 4.544 5.866 -1.018 1.00 0.17 O ATOM 1021 CB ALA A 317 7.480 4.211 -0.906 1.00 0.20 C ATOM 0 H ALA A 317 8.815 6.236 -0.566 1.00 0.17 H new ATOM 0 HA ALA A 317 6.692 5.674 -2.260 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.724 3.461 -1.137 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.364 4.036 -1.519 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.750 4.142 0.148 1.00 0.20 H new ATOM 1027 N VAL A 318 5.724 5.996 0.889 1.00 0.12 N ATOM 1028 CA VAL A 318 4.534 6.203 1.711 1.00 0.12 C ATOM 1029 C VAL A 318 3.990 7.615 1.539 1.00 0.11 C ATOM 1030 O VAL A 318 2.792 7.844 1.705 1.00 0.14 O ATOM 1031 CB VAL A 318 4.791 5.941 3.210 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.500 5.538 3.904 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.864 4.878 3.401 1.00 0.21 C ATOM 0 H VAL A 318 6.604 5.997 1.404 1.00 0.12 H new ATOM 0 HA VAL A 318 3.799 5.477 1.363 1.00 0.12 H new ATOM 0 HB VAL A 318 5.153 6.864 3.663 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.696 5.356 4.961 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.768 6.339 3.803 1.00 0.18 H new ATOM 0 HG13 VAL A 318 3.109 4.629 3.446 1.00 0.18 H new ATOM 0 HG21 VAL A 318 6.026 4.712 4.466 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.542 3.948 2.934 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.793 5.212 2.940 1.00 0.21 H new ATOM 1043 N ARG A 319 4.868 8.555 1.200 1.00 0.12 N ATOM 1044 CA ARG A 319 4.457 9.943 0.995 1.00 0.16 C ATOM 1045 C ARG A 319 3.401 10.020 -0.098 1.00 0.14 C ATOM 1046 O ARG A 319 2.322 10.575 0.104 1.00 0.22 O ATOM 1047 CB ARG A 319 5.650 10.818 0.613 1.00 0.21 C ATOM 1048 CG ARG A 319 6.648 11.034 1.740 1.00 0.35 C ATOM 1049 CD ARG A 319 7.787 11.946 1.305 1.00 0.40 C ATOM 1050 NE ARG A 319 8.763 12.147 2.376 1.00 0.50 N ATOM 1051 CZ ARG A 319 10.077 12.260 2.185 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.589 12.169 0.963 1.00 0.83 N ATOM 1053 NH2 ARG A 319 10.877 12.449 3.225 1.00 0.81 N ATOM 0 H ARG A 319 5.864 8.384 1.062 1.00 0.12 H new ATOM 0 HA ARG A 319 4.041 10.312 1.932 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.166 10.362 -0.232 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.283 11.788 0.277 1.00 0.21 H new ATOM 0 HG2 ARG A 319 6.139 11.469 2.600 1.00 0.35 H new ATOM 0 HG3 ARG A 319 7.051 10.073 2.061 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.285 11.516 0.436 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.383 12.910 0.996 1.00 0.40 H new ATOM 0 HE ARG A 319 8.414 12.204 3.333 1.00 0.50 H new ATOM 0 HH11 ARG A 319 9.976 12.012 0.163 1.00 0.83 H new ATOM 0 HH12 ARG A 319 11.596 12.256 0.824 1.00 0.83 H new ATOM 0 HH21 ARG A 319 10.486 12.507 4.165 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.884 12.536 3.085 1.00 0.81 H new ATOM 1067 N VAL A 320 3.720 9.447 -1.254 1.00 0.10 N ATOM 1068 CA VAL A 320 2.797 9.439 -2.379 1.00 0.10 C ATOM 1069 C VAL A 320 1.575 8.586 -2.054 1.00 0.09 C ATOM 1070 O VAL A 320 0.444 8.955 -2.375 1.00 0.11 O ATOM 1071 CB VAL A 320 3.471 8.899 -3.658 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.542 9.020 -4.854 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.782 9.624 -3.923 1.00 0.17 C ATOM 0 H VAL A 320 4.610 8.983 -1.434 1.00 0.10 H new ATOM 0 HA VAL A 320 2.489 10.469 -2.558 1.00 0.10 H new ATOM 0 HB VAL A 320 3.689 7.842 -3.503 1.00 0.14 H new ATOM 0 HG11 VAL A 320 3.041 8.633 -5.743 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.634 8.447 -4.669 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.284 10.068 -5.010 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.240 9.228 -4.829 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.589 10.689 -4.050 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.457 9.475 -3.080 1.00 0.17 H new ATOM 1083 N LEU A 321 1.814 7.452 -1.398 1.00 0.08 N ATOM 1084 CA LEU A 321 0.742 6.536 -1.022 1.00 0.09 C ATOM 1085 C LEU A 321 -0.332 7.248 -0.206 1.00 0.09 C ATOM 1086 O LEU A 321 -1.519 7.174 -0.526 1.00 0.10 O ATOM 1087 CB LEU A 321 1.302 5.365 -0.211 1.00 0.11 C ATOM 1088 CG LEU A 321 0.349 4.182 -0.036 1.00 0.20 C ATOM 1089 CD1 LEU A 321 0.087 3.503 -1.371 1.00 0.38 C ATOM 1090 CD2 LEU A 321 0.913 3.197 0.970 1.00 0.29 C ATOM 0 H LEU A 321 2.745 7.146 -1.115 1.00 0.08 H new ATOM 0 HA LEU A 321 0.291 6.161 -1.941 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.212 5.010 -0.695 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.588 5.730 0.775 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.602 4.555 0.344 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -0.593 2.664 -1.225 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.361 4.218 -2.061 1.00 0.38 H new ATOM 0 HD13 LEU A 321 1.028 3.140 -1.785 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.224 2.360 1.085 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.877 2.829 0.618 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.044 3.694 1.931 1.00 0.29 H new ATOM 1102 N ARG A 322 0.092 7.954 0.837 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.836 8.660 1.707 1.00 0.12 C ATOM 1104 C ARG A 322 -1.624 9.711 0.940 1.00 0.13 C ATOM 1105 O ARG A 322 -2.830 9.848 1.143 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.102 9.301 2.885 1.00 0.15 C ATOM 1107 CG ARG A 322 0.447 8.289 3.879 1.00 0.19 C ATOM 1108 CD ARG A 322 0.598 8.889 5.270 1.00 0.34 C ATOM 1109 NE ARG A 322 -0.687 9.270 5.854 1.00 0.49 N ATOM 1110 CZ ARG A 322 -0.986 9.148 7.147 1.00 1.05 C ATOM 1111 NH1 ARG A 322 -0.078 8.702 8.008 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -2.188 9.489 7.580 1.00 1.28 N ATOM 0 H ARG A 322 1.073 8.051 1.099 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.541 7.926 2.097 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.720 9.908 2.505 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.783 9.976 3.404 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.218 7.427 3.925 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.415 7.927 3.532 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.091 8.168 5.922 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.244 9.765 5.217 1.00 0.34 H new ATOM 0 HE ARG A 322 -1.399 9.653 5.233 1.00 0.49 H new ATOM 0 HH11 ARG A 322 0.855 8.450 7.681 1.00 1.57 H new ATOM 0 HH12 ARG A 322 -0.314 8.611 8.996 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -2.884 9.845 6.925 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -2.419 9.396 8.569 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.951 10.442 0.056 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.611 11.470 -0.738 1.00 0.15 C ATOM 1128 C GLU A 323 -2.697 10.854 -1.616 1.00 0.14 C ATOM 1129 O GLU A 323 -3.804 11.384 -1.705 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.595 12.231 -1.594 1.00 0.20 C ATOM 1131 CG GLU A 323 0.288 13.175 -0.792 1.00 0.62 C ATOM 1132 CD GLU A 323 -0.517 14.182 0.004 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -0.869 15.243 -0.551 1.00 1.76 O ATOM 1134 OE2 GLU A 323 -0.801 13.920 1.192 1.00 1.87 O ATOM 0 H GLU A 323 0.047 10.341 -0.127 1.00 0.12 H new ATOM 0 HA GLU A 323 -2.080 12.179 -0.056 1.00 0.15 H new ATOM 0 HB2 GLU A 323 0.036 11.514 -2.118 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -1.128 12.802 -2.354 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.913 12.595 -0.113 1.00 0.62 H new ATOM 0 HG3 GLU A 323 0.959 13.704 -1.469 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.387 9.722 -2.242 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.350 9.037 -3.097 1.00 0.14 C ATOM 1143 C ILE A 324 -4.546 8.557 -2.278 1.00 0.14 C ATOM 1144 O ILE A 324 -5.697 8.711 -2.690 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.711 7.835 -3.831 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.559 8.305 -4.726 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.758 7.094 -4.655 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.799 7.173 -5.383 1.00 0.29 C ATOM 0 H ILE A 324 -1.480 9.261 -2.173 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.685 9.755 -3.845 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.311 7.149 -3.085 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -1.956 8.962 -5.500 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -0.866 8.898 -4.130 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.290 6.251 -5.165 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.547 6.728 -3.997 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.187 7.772 -5.393 1.00 0.23 H new ATOM 0 HD11 ILE A 324 0.001 7.582 -6.001 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.371 6.528 -4.615 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.479 6.592 -6.007 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.269 7.996 -1.105 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.320 7.495 -0.225 1.00 0.13 C ATOM 1162 C VAL A 325 -6.133 8.651 0.377 1.00 0.16 C ATOM 1163 O VAL A 325 -7.264 8.463 0.826 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.732 6.593 0.896 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.826 6.062 1.812 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.953 5.438 0.283 1.00 0.16 C ATOM 0 H VAL A 325 -3.324 7.877 -0.741 1.00 0.11 H new ATOM 0 HA VAL A 325 -5.993 6.886 -0.828 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.057 7.201 1.498 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.381 5.435 2.585 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.347 6.898 2.279 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.534 5.472 1.229 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.545 4.812 1.077 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.618 4.843 -0.343 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.138 5.831 -0.324 1.00 0.16 H new ATOM 1176 N SER A 326 -5.560 9.849 0.366 1.00 0.19 N ATOM 1177 CA SER A 326 -6.240 11.023 0.897 1.00 0.24 C ATOM 1178 C SER A 326 -7.279 11.541 -0.093 1.00 0.27 C ATOM 1179 O SER A 326 -8.188 12.288 0.277 1.00 0.44 O ATOM 1180 CB SER A 326 -5.236 12.128 1.219 1.00 0.32 C ATOM 1181 OG SER A 326 -4.344 11.722 2.242 1.00 0.37 O ATOM 0 H SER A 326 -4.627 10.032 -0.004 1.00 0.19 H new ATOM 0 HA SER A 326 -6.747 10.729 1.816 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.673 12.385 0.322 1.00 0.32 H new ATOM 0 HB3 SER A 326 -5.767 13.027 1.531 1.00 0.32 H new ATOM 0 HG SER A 326 -3.873 10.910 1.962 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.146 11.133 -1.347 1.00 0.27 N ATOM 1188 CA GLN A 327 -8.072 11.554 -2.383 1.00 0.32 C ATOM 1189 C GLN A 327 -9.065 10.440 -2.686 1.00 0.34 C ATOM 1190 O GLN A 327 -8.835 9.281 -2.336 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.319 11.959 -3.654 1.00 0.41 C ATOM 1192 CG GLN A 327 -7.009 13.447 -3.731 1.00 0.63 C ATOM 1193 CD GLN A 327 -5.895 13.871 -2.791 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -6.140 14.232 -1.639 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -4.664 13.836 -3.275 1.00 0.94 N ATOM 0 H GLN A 327 -6.405 10.511 -1.669 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.620 12.424 -2.021 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.386 11.399 -3.707 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -7.912 11.674 -4.523 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.731 13.702 -4.754 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -7.910 14.013 -3.496 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -4.502 13.531 -4.235 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -3.877 14.114 -2.688 1.00 0.94 H new ATOM 1204 N THR A 328 -10.165 10.793 -3.328 1.00 0.42 N ATOM 1205 CA THR A 328 -11.197 9.833 -3.671 1.00 0.49 C ATOM 1206 C THR A 328 -10.849 9.057 -4.941 1.00 0.51 C ATOM 1207 O THR A 328 -9.870 9.369 -5.626 1.00 0.84 O ATOM 1208 CB THR A 328 -12.542 10.555 -3.864 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.305 11.949 -4.123 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.422 10.404 -2.631 1.00 0.89 C ATOM 0 H THR A 328 -10.366 11.748 -3.624 1.00 0.42 H new ATOM 0 HA THR A 328 -11.271 9.121 -2.849 1.00 0.49 H new ATOM 0 HB THR A 328 -13.059 10.105 -4.711 1.00 0.66 H new ATOM 0 HG1 THR A 328 -13.161 12.409 -4.248 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.367 10.923 -2.792 1.00 0.89 H new ATOM 0 HG22 THR A 328 -13.615 9.347 -2.449 1.00 0.89 H new ATOM 0 HG23 THR A 328 -12.915 10.834 -1.767 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.647 8.044 -5.250 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.416 7.251 -6.438 1.00 0.44 C ATOM 1220 C GLY A 329 -11.084 5.806 -6.118 1.00 0.39 C ATOM 1221 O GLY A 329 -10.838 5.464 -4.960 1.00 0.43 O ATOM 0 H GLY A 329 -12.454 7.757 -4.695 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.303 7.285 -7.071 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -10.599 7.690 -7.010 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.091 4.929 -7.128 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.771 3.517 -6.948 1.00 0.39 C ATOM 1227 C PRO A 330 -9.265 3.284 -6.874 1.00 0.36 C ATOM 1228 O PRO A 330 -8.559 3.337 -7.883 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.358 2.865 -8.198 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.318 3.923 -9.244 1.00 0.58 C ATOM 1231 CD PRO A 330 -11.423 5.248 -8.528 1.00 0.52 C ATOM 0 HA PRO A 330 -11.170 3.113 -6.018 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.777 1.993 -8.497 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.378 2.523 -8.022 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -10.393 3.865 -9.817 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.139 3.799 -9.951 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -10.732 5.981 -8.944 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -12.425 5.669 -8.614 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.774 3.041 -5.672 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.356 2.809 -5.466 1.00 0.25 C ATOM 1241 C ILE A 331 -6.958 1.424 -5.967 1.00 0.25 C ATOM 1242 O ILE A 331 -7.407 0.407 -5.436 1.00 0.30 O ATOM 1243 CB ILE A 331 -6.968 2.955 -3.980 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.471 4.293 -3.428 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.458 2.844 -3.815 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.226 4.468 -1.945 1.00 0.35 C ATOM 0 H ILE A 331 -9.337 2.999 -4.823 1.00 0.27 H new ATOM 0 HA ILE A 331 -6.818 3.566 -6.037 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.438 2.150 -3.415 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.983 5.105 -3.967 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.540 4.378 -3.624 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.198 2.949 -2.762 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.123 1.872 -4.176 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -4.970 3.632 -4.389 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.608 5.437 -1.625 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.737 3.677 -1.396 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -6.156 4.416 -1.744 1.00 0.35 H new ATOM 1258 N SER A 332 -6.135 1.400 -7.006 1.00 0.28 N ATOM 1259 CA SER A 332 -5.659 0.157 -7.586 1.00 0.31 C ATOM 1260 C SER A 332 -4.277 -0.175 -7.031 1.00 0.27 C ATOM 1261 O SER A 332 -3.273 0.420 -7.427 1.00 0.31 O ATOM 1262 CB SER A 332 -5.615 0.273 -9.111 1.00 0.41 C ATOM 1263 OG SER A 332 -6.828 0.819 -9.605 1.00 1.09 O ATOM 0 H SER A 332 -5.781 2.238 -7.467 1.00 0.28 H new ATOM 0 HA SER A 332 -6.344 -0.649 -7.322 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.778 0.904 -9.409 1.00 0.41 H new ATOM 0 HB3 SER A 332 -5.446 -0.710 -9.551 1.00 0.41 H new ATOM 0 HG SER A 332 -6.782 0.888 -10.581 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.236 -1.111 -6.099 1.00 0.27 N ATOM 1270 CA LEU A 333 -2.984 -1.502 -5.475 1.00 0.26 C ATOM 1271 C LEU A 333 -2.426 -2.773 -6.102 1.00 0.26 C ATOM 1272 O LEU A 333 -3.066 -3.823 -6.080 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.173 -1.719 -3.972 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.653 -0.498 -3.191 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -5.038 -0.748 -2.619 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.666 -0.157 -2.082 1.00 0.39 C ATOM 0 H LEU A 333 -5.055 -1.614 -5.758 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.274 -0.691 -5.637 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -3.889 -2.528 -3.826 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.226 -2.052 -3.548 1.00 0.29 H new ATOM 0 HG LEU A 333 -3.711 0.352 -3.871 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -5.367 0.131 -2.065 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -5.737 -0.947 -3.432 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -5.005 -1.608 -1.950 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.022 0.716 -1.534 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -2.578 -1.003 -1.400 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -1.691 0.061 -2.517 1.00 0.39 H new ATOM 1288 N THR A 334 -1.239 -2.657 -6.672 1.00 0.24 N ATOM 1289 CA THR A 334 -0.559 -3.785 -7.278 1.00 0.26 C ATOM 1290 C THR A 334 0.464 -4.332 -6.287 1.00 0.26 C ATOM 1291 O THR A 334 1.542 -3.758 -6.107 1.00 0.28 O ATOM 1292 CB THR A 334 0.135 -3.370 -8.591 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.804 -2.698 -9.443 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.703 -4.575 -9.318 1.00 0.42 C ATOM 0 H THR A 334 -0.722 -1.780 -6.727 1.00 0.24 H new ATOM 0 HA THR A 334 -1.289 -4.557 -7.520 1.00 0.26 H new ATOM 0 HB THR A 334 0.958 -2.700 -8.342 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.360 -2.434 -10.276 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.186 -4.250 -10.240 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.434 -5.073 -8.681 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.103 -5.269 -9.556 1.00 0.42 H new ATOM 1302 N VAL A 335 0.105 -5.422 -5.627 1.00 0.26 N ATOM 1303 CA VAL A 335 0.969 -6.028 -4.626 1.00 0.28 C ATOM 1304 C VAL A 335 1.697 -7.251 -5.160 1.00 0.28 C ATOM 1305 O VAL A 335 1.255 -7.894 -6.118 1.00 0.32 O ATOM 1306 CB VAL A 335 0.176 -6.432 -3.362 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.380 -5.202 -2.665 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.943 -7.406 -3.704 1.00 0.31 C ATOM 0 H VAL A 335 -0.782 -5.906 -5.767 1.00 0.26 H new ATOM 0 HA VAL A 335 1.705 -5.267 -4.366 1.00 0.28 H new ATOM 0 HB VAL A 335 0.862 -6.935 -2.681 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.935 -5.506 -1.778 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.441 -4.547 -2.373 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -1.045 -4.669 -3.344 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.484 -7.673 -2.796 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.629 -6.939 -4.411 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.519 -8.305 -4.151 1.00 0.31 H new ATOM 1318 N ALA A 336 2.819 -7.555 -4.531 1.00 0.28 N ATOM 1319 CA ALA A 336 3.628 -8.701 -4.898 1.00 0.31 C ATOM 1320 C ALA A 336 3.546 -9.761 -3.812 1.00 0.33 C ATOM 1321 O ALA A 336 4.030 -9.558 -2.696 1.00 0.38 O ATOM 1322 CB ALA A 336 5.073 -8.286 -5.127 1.00 0.34 C ATOM 0 H ALA A 336 3.194 -7.014 -3.752 1.00 0.28 H new ATOM 0 HA ALA A 336 3.243 -9.118 -5.829 1.00 0.31 H new ATOM 0 HB1 ALA A 336 5.663 -9.160 -5.401 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.117 -7.551 -5.931 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.475 -7.849 -4.213 1.00 0.34 H new ATOM 1328 N LYS A 337 2.909 -10.873 -4.135 1.00 0.36 N ATOM 1329 CA LYS A 337 2.763 -11.968 -3.195 1.00 0.40 C ATOM 1330 C LYS A 337 3.678 -13.116 -3.595 1.00 0.47 C ATOM 1331 O LYS A 337 3.257 -13.955 -4.424 1.00 0.60 O ATOM 1332 CB LYS A 337 1.307 -12.447 -3.147 1.00 0.41 C ATOM 1333 CG LYS A 337 0.319 -11.362 -2.754 1.00 0.37 C ATOM 1334 CD LYS A 337 -1.106 -11.897 -2.677 1.00 0.41 C ATOM 1335 CE LYS A 337 -1.292 -12.845 -1.503 1.00 0.39 C ATOM 1336 NZ LYS A 337 -1.234 -12.137 -0.201 1.00 0.38 N ATOM 1337 OXT LYS A 337 4.824 -13.169 -3.103 1.00 0.70 O ATOM 0 H LYS A 337 2.483 -11.041 -5.046 1.00 0.36 H new ATOM 0 HA LYS A 337 3.042 -11.616 -2.202 1.00 0.40 H new ATOM 0 HB2 LYS A 337 1.031 -12.840 -4.125 1.00 0.41 H new ATOM 0 HB3 LYS A 337 1.228 -13.271 -2.438 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.603 -10.944 -1.788 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.364 -10.549 -3.479 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.802 -11.064 -2.585 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -1.350 -12.415 -3.604 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -2.252 -13.353 -1.596 1.00 0.39 H new ATOM 0 HE3 LYS A 337 -0.520 -13.614 -1.532 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.658 -12.734 0.538 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 -0.243 -11.937 0.042 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.761 -11.243 -0.268 1.00 0.38 H new TER 1351 LYS A 337 HETATM 1352 C1 PHQ B 1 1.926 4.300 8.004 1.00 0.19 C HETATM 1353 O1 PHQ B 1 1.969 3.092 8.265 1.00 0.22 O HETATM 1354 O2 PHQ B 1 3.204 5.080 7.719 1.00 0.26 O HETATM 1355 C2 PHQ B 1 4.339 4.164 7.279 1.00 0.31 C HETATM 1356 C3 PHQ B 1 5.679 4.856 7.196 1.00 0.38 C HETATM 1357 C4 PHQ B 1 5.742 6.247 6.999 1.00 1.30 C HETATM 1358 C5 PHQ B 1 6.972 6.914 7.103 1.00 1.42 C HETATM 1359 C6 PHQ B 1 8.153 6.179 7.312 1.00 0.84 C HETATM 1360 C7 PHQ B 1 8.098 4.779 7.417 1.00 1.38 C HETATM 1361 C8 PHQ B 1 6.864 4.114 7.312 1.00 1.29 C HETATM 0 H81 PHQ B 1 6.828 3.025 7.321 1.00 1.29 H new HETATM 0 H71 PHQ B 1 9.012 4.208 7.580 1.00 1.38 H new HETATM 0 H61 PHQ B 1 9.110 6.695 7.392 1.00 0.84 H new HETATM 0 H51 PHQ B 1 7.012 8.000 7.022 1.00 1.42 H new HETATM 0 H41 PHQ B 1 4.836 6.806 6.766 1.00 1.30 H new HETATM 0 H22 PHQ B 1 4.413 3.330 7.977 1.00 0.31 H new HETATM 0 H21 PHQ B 1 4.097 3.742 6.304 1.00 0.31 H new ATOM 1369 N TRP B 2 0.763 4.941 7.972 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.515 4.282 8.238 1.00 0.13 C ATOM 1371 C TRP B 2 -1.618 4.925 7.410 1.00 0.14 C ATOM 1372 O TRP B 2 -1.819 6.138 7.479 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.888 4.417 9.719 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.398 3.309 10.602 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.812 3.234 11.233 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -1.119 2.127 10.974 1.00 0.24 C ATOM 1377 NE1 TRP B 2 0.886 2.078 11.976 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.285 1.380 11.828 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.387 1.621 10.662 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.685 0.164 12.381 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.776 0.415 11.209 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.928 -0.302 12.057 1.00 0.39 C ATOM 0 HA TRP B 2 -0.412 3.229 7.975 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.491 5.361 10.093 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -1.974 4.473 9.801 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.595 3.974 11.159 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.682 1.788 12.544 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -3.049 2.165 10.005 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 -0.035 -0.390 13.042 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.753 0.018 10.977 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.262 -1.245 12.465 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.330 4.127 6.633 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.429 4.642 5.826 1.00 0.11 C ATOM 1395 C VAL B 3 -4.566 3.642 5.802 1.00 0.14 C ATOM 1396 O VAL B 3 -5.681 4.012 5.381 1.00 0.24 O ATOM 1397 CB VAL B 3 -3.023 4.996 4.374 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.688 6.473 4.265 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.864 4.145 3.881 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.347 2.499 6.242 1.00 0.27 O ATOM 0 H VAL B 3 -2.170 3.124 6.542 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.743 5.572 6.300 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.877 4.778 3.733 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.404 6.707 3.239 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.559 7.065 4.545 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -1.859 6.708 4.933 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.614 4.428 2.859 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.998 4.303 4.524 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.148 3.093 3.907 1.00 0.11 H new TER 1410 VAL B 3