USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=17 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 Single : A 248 ASN : amide:sc=-0.00459 K(o=-0.0046,f=-0.78) USER MOD Single : A 251 THR OG1 : rot 180:sc= 0 USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= 0.451 K(o=0.45,f=-10!) USER MOD Single : A 256 MET CE :methyl -117:sc= 0 (180deg=-0.0336) USER MOD Single : A 259 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 260 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=-0.15) USER MOD Single : A 265 SER OG : rot 95:sc= 0.252 USER MOD Single : A 269 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 270 SER OG : rot 180:sc= 0 USER MOD Single : A 271 ASN : amide:sc= 0.364 X(o=0.36,f=-0.12) USER MOD Single : A 279 TYR OH : rot 180:sc= 0 USER MOD Single : A 282 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 284 MET CE :methyl 152:sc= -0.155 (180deg=-0.535) USER MOD Single : A 285 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0412) USER MOD Single : A 300 MET CE :methyl 168:sc= 0 (180deg=-0.15) USER MOD Single : A 303 GLN : amide:sc= -0.902 X(o=-0.9,f=-0.97) USER MOD Single : A 305 ASN : amide:sc= 1.45 K(o=1.4,f=-7.9!) USER MOD Single : A 308 ASN : amide:sc= 1.27 K(o=1.3,f=-15!) USER MOD Single : A 311 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 312 MET CE :methyl 148:sc= -0.388 (180deg=-1.22) USER MOD Single : A 313 SER OG : rot -129:sc= 2.18 USER MOD Single : A 314 ASN : amide:sc= 0.84 K(o=0.84,f=-4.4!) USER MOD Single : A 326 SER OG : rot 58:sc= 1.33 USER MOD Single : A 327 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.53) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 86:sc= 0.0838 USER MOD Single : A 337 LYS NZ :NH3+ 172:sc= 0.475 (180deg=0.0382!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 4.274 -13.672 -7.238 1.00 0.52 N ATOM 2 CA ASN A 248 2.837 -13.630 -7.580 1.00 0.49 C ATOM 3 C ASN A 248 2.291 -12.216 -7.417 1.00 0.44 C ATOM 4 O ASN A 248 1.850 -11.826 -6.337 1.00 0.47 O ATOM 5 CB ASN A 248 2.045 -14.604 -6.697 1.00 0.57 C ATOM 6 CG ASN A 248 0.563 -14.616 -7.025 1.00 0.70 C ATOM 7 OD1 ASN A 248 0.156 -14.306 -8.145 1.00 0.99 O ATOM 8 ND2 ASN A 248 -0.250 -14.990 -6.051 1.00 1.26 N ATOM 0 HA ASN A 248 2.725 -13.931 -8.621 1.00 0.49 H new ATOM 0 HB2 ASN A 248 2.448 -15.609 -6.819 1.00 0.57 H new ATOM 0 HB3 ASN A 248 2.180 -14.331 -5.650 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -1.256 -15.030 -6.214 1.00 1.26 H new ATOM 0 HD22 ASN A 248 0.129 -15.239 -5.137 1.00 1.26 H new ATOM 17 N ILE A 249 2.348 -11.441 -8.488 1.00 0.45 N ATOM 18 CA ILE A 249 1.846 -10.075 -8.466 1.00 0.43 C ATOM 19 C ILE A 249 0.326 -10.071 -8.615 1.00 0.42 C ATOM 20 O ILE A 249 -0.217 -10.716 -9.513 1.00 0.50 O ATOM 21 CB ILE A 249 2.479 -9.220 -9.588 1.00 0.47 C ATOM 22 CG1 ILE A 249 3.999 -9.136 -9.402 1.00 0.54 C ATOM 23 CG2 ILE A 249 1.865 -7.826 -9.613 1.00 0.50 C ATOM 24 CD1 ILE A 249 4.705 -8.401 -10.522 1.00 0.65 C ATOM 0 H ILE A 249 2.737 -11.734 -9.384 1.00 0.45 H new ATOM 0 HA ILE A 249 2.122 -9.637 -7.507 1.00 0.43 H new ATOM 0 HB ILE A 249 2.273 -9.700 -10.545 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.214 -8.636 -8.458 1.00 0.54 H new ATOM 0 HG13 ILE A 249 4.404 -10.145 -9.328 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.324 -7.240 -10.409 1.00 0.50 H new ATOM 0 HG22 ILE A 249 0.793 -7.904 -9.792 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.038 -7.335 -8.655 1.00 0.50 H new ATOM 0 HD11 ILE A 249 5.777 -8.380 -10.325 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.520 -8.913 -11.466 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.327 -7.380 -10.582 1.00 0.65 H new ATOM 36 N ILE A 250 -0.356 -9.364 -7.728 1.00 0.39 N ATOM 37 CA ILE A 250 -1.809 -9.286 -7.770 1.00 0.41 C ATOM 38 C ILE A 250 -2.276 -7.830 -7.727 1.00 0.37 C ATOM 39 O ILE A 250 -1.807 -7.039 -6.907 1.00 0.36 O ATOM 40 CB ILE A 250 -2.450 -10.072 -6.597 1.00 0.44 C ATOM 41 CG1 ILE A 250 -2.242 -11.578 -6.790 1.00 0.48 C ATOM 42 CG2 ILE A 250 -3.934 -9.753 -6.472 1.00 0.55 C ATOM 43 CD1 ILE A 250 -2.904 -12.428 -5.727 1.00 0.54 C ATOM 0 H ILE A 250 0.073 -8.835 -6.969 1.00 0.39 H new ATOM 0 HA ILE A 250 -2.131 -9.737 -8.708 1.00 0.41 H new ATOM 0 HB ILE A 250 -1.959 -9.765 -5.674 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -2.631 -11.867 -7.767 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -1.173 -11.790 -6.797 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.359 -10.317 -5.642 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.063 -8.686 -6.289 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.444 -10.027 -7.396 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.712 -13.481 -5.932 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.498 -12.169 -4.749 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -3.979 -12.247 -5.734 1.00 0.54 H new ATOM 55 N THR A 251 -3.181 -7.481 -8.628 1.00 0.40 N ATOM 56 CA THR A 251 -3.726 -6.137 -8.683 1.00 0.39 C ATOM 57 C THR A 251 -5.154 -6.142 -8.147 1.00 0.40 C ATOM 58 O THR A 251 -6.049 -6.735 -8.753 1.00 0.48 O ATOM 59 CB THR A 251 -3.722 -5.589 -10.120 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.501 -5.961 -10.776 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.864 -4.073 -10.124 1.00 0.47 C ATOM 0 H THR A 251 -3.554 -8.115 -9.334 1.00 0.40 H new ATOM 0 HA THR A 251 -3.098 -5.492 -8.069 1.00 0.39 H new ATOM 0 HB THR A 251 -4.571 -6.016 -10.654 1.00 0.46 H new ATOM 0 HG1 THR A 251 -2.502 -5.612 -11.692 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.858 -3.710 -11.152 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.803 -3.794 -9.646 1.00 0.47 H new ATOM 0 HG23 THR A 251 -3.032 -3.628 -9.577 1.00 0.47 H new ATOM 69 N VAL A 252 -5.361 -5.504 -7.006 1.00 0.36 N ATOM 70 CA VAL A 252 -6.681 -5.458 -6.400 1.00 0.38 C ATOM 71 C VAL A 252 -7.337 -4.099 -6.619 1.00 0.35 C ATOM 72 O VAL A 252 -6.655 -3.077 -6.732 1.00 0.39 O ATOM 73 CB VAL A 252 -6.632 -5.765 -4.883 1.00 0.41 C ATOM 74 CG1 VAL A 252 -5.961 -7.108 -4.627 1.00 0.50 C ATOM 75 CG2 VAL A 252 -5.920 -4.658 -4.117 1.00 0.40 C ATOM 0 H VAL A 252 -4.635 -5.013 -6.483 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.276 -6.230 -6.889 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.659 -5.816 -4.521 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -5.937 -7.304 -3.555 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.523 -7.897 -5.128 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -4.943 -7.086 -5.015 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -5.902 -4.904 -3.055 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -4.898 -4.561 -4.484 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.449 -3.716 -4.263 1.00 0.40 H new ATOM 85 N THR A 253 -8.657 -4.101 -6.686 1.00 0.39 N ATOM 86 CA THR A 253 -9.425 -2.885 -6.874 1.00 0.40 C ATOM 87 C THR A 253 -10.303 -2.662 -5.643 1.00 0.39 C ATOM 88 O THR A 253 -11.157 -3.486 -5.312 1.00 0.54 O ATOM 89 CB THR A 253 -10.280 -2.953 -8.166 1.00 0.50 C ATOM 90 OG1 THR A 253 -11.120 -1.797 -8.284 1.00 0.76 O ATOM 91 CG2 THR A 253 -11.130 -4.219 -8.207 1.00 0.79 C ATOM 0 H THR A 253 -9.225 -4.945 -6.612 1.00 0.39 H new ATOM 0 HA THR A 253 -8.743 -2.043 -6.991 1.00 0.40 H new ATOM 0 HB THR A 253 -9.590 -2.976 -9.010 1.00 0.50 H new ATOM 0 HG1 THR A 253 -11.649 -1.860 -9.106 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.716 -4.234 -9.126 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.481 -5.094 -8.176 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.801 -4.235 -7.348 1.00 0.79 H new ATOM 99 N LEU A 254 -10.068 -1.565 -4.941 1.00 0.33 N ATOM 100 CA LEU A 254 -10.823 -1.275 -3.733 1.00 0.35 C ATOM 101 C LEU A 254 -11.831 -0.153 -3.947 1.00 0.35 C ATOM 102 O LEU A 254 -11.643 0.719 -4.795 1.00 0.37 O ATOM 103 CB LEU A 254 -9.868 -0.923 -2.594 1.00 0.36 C ATOM 104 CG LEU A 254 -8.827 -1.995 -2.267 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.994 -1.574 -1.072 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.494 -3.339 -2.001 1.00 0.45 C ATOM 0 H LEU A 254 -9.366 -0.866 -5.184 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.386 -2.170 -3.470 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.348 0.001 -2.848 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.454 -0.722 -1.697 1.00 0.36 H new ATOM 0 HG LEU A 254 -8.171 -2.106 -3.130 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -7.258 -2.347 -0.851 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.482 -0.638 -1.297 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.643 -1.434 -0.207 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.732 -4.084 -1.771 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -10.177 -3.246 -1.157 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -10.051 -3.650 -2.885 1.00 0.45 H new ATOM 118 N ASN A 255 -12.901 -0.191 -3.164 1.00 0.40 N ATOM 119 CA ASN A 255 -13.956 0.807 -3.245 1.00 0.44 C ATOM 120 C ASN A 255 -13.797 1.838 -2.134 1.00 0.40 C ATOM 121 O ASN A 255 -13.725 1.484 -0.954 1.00 0.39 O ATOM 122 CB ASN A 255 -15.325 0.131 -3.147 1.00 0.50 C ATOM 123 CG ASN A 255 -16.468 1.126 -3.172 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.900 1.624 -2.131 1.00 0.52 O ATOM 125 ND2 ASN A 255 -16.968 1.420 -4.360 1.00 0.65 N ATOM 0 H ASN A 255 -13.061 -0.911 -2.459 1.00 0.40 H new ATOM 0 HA ASN A 255 -13.882 1.318 -4.205 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.440 -0.570 -3.974 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.374 -0.451 -2.226 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.740 2.081 -4.439 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.581 0.985 -5.198 1.00 0.65 H new ATOM 132 N MET A 256 -13.755 3.110 -2.509 1.00 0.41 N ATOM 133 CA MET A 256 -13.581 4.180 -1.537 1.00 0.41 C ATOM 134 C MET A 256 -14.886 4.924 -1.276 1.00 0.44 C ATOM 135 O MET A 256 -14.881 6.076 -0.837 1.00 0.49 O ATOM 136 CB MET A 256 -12.497 5.149 -2.006 1.00 0.43 C ATOM 137 CG MET A 256 -11.089 4.618 -1.792 1.00 0.45 C ATOM 138 SD MET A 256 -10.656 4.482 -0.043 1.00 0.56 S ATOM 139 CE MET A 256 -10.290 6.194 0.339 1.00 0.63 C ATOM 0 H MET A 256 -13.839 3.425 -3.476 1.00 0.41 H new ATOM 0 HA MET A 256 -13.270 3.726 -0.596 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.642 5.361 -3.065 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.607 6.094 -1.473 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.999 3.639 -2.262 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.377 5.277 -2.289 1.00 0.45 H new ATOM 0 HE1 MET A 256 -9.244 6.286 0.630 1.00 0.63 H new ATOM 0 HE2 MET A 256 -10.478 6.811 -0.540 1.00 0.63 H new ATOM 0 HE3 MET A 256 -10.925 6.528 1.160 1.00 0.63 H new ATOM 149 N GLU A 257 -16.005 4.268 -1.548 1.00 0.46 N ATOM 150 CA GLU A 257 -17.308 4.868 -1.307 1.00 0.51 C ATOM 151 C GLU A 257 -17.826 4.422 0.054 1.00 0.49 C ATOM 152 O GLU A 257 -18.198 5.240 0.892 1.00 0.56 O ATOM 153 CB GLU A 257 -18.300 4.482 -2.411 1.00 0.56 C ATOM 154 CG GLU A 257 -18.018 5.156 -3.743 1.00 0.67 C ATOM 155 CD GLU A 257 -18.071 6.667 -3.651 1.00 0.86 C ATOM 156 OE1 GLU A 257 -19.178 7.221 -3.497 1.00 1.23 O ATOM 157 OE2 GLU A 257 -17.004 7.311 -3.730 1.00 1.27 O ATOM 0 H GLU A 257 -16.037 3.324 -1.934 1.00 0.46 H new ATOM 0 HA GLU A 257 -17.205 5.953 -1.316 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -18.276 3.401 -2.548 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -19.309 4.740 -2.089 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -17.034 4.851 -4.100 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.744 4.814 -4.480 1.00 0.67 H new ATOM 164 N ARG A 258 -17.830 3.113 0.270 1.00 0.45 N ATOM 165 CA ARG A 258 -18.276 2.547 1.537 1.00 0.45 C ATOM 166 C ARG A 258 -17.156 2.662 2.569 1.00 0.43 C ATOM 167 O ARG A 258 -17.398 2.726 3.773 1.00 0.63 O ATOM 168 CB ARG A 258 -18.685 1.082 1.345 1.00 0.48 C ATOM 169 CG ARG A 258 -18.944 0.320 2.640 1.00 0.56 C ATOM 170 CD ARG A 258 -19.301 -1.134 2.367 1.00 0.64 C ATOM 171 NE ARG A 258 -19.103 -1.981 3.545 1.00 0.75 N ATOM 172 CZ ARG A 258 -19.010 -3.308 3.500 1.00 0.86 C ATOM 173 NH1 ARG A 258 -19.111 -3.948 2.338 1.00 1.01 N ATOM 174 NH2 ARG A 258 -18.823 -3.995 4.619 1.00 1.06 N ATOM 0 H ARG A 258 -17.529 2.422 -0.417 1.00 0.45 H new ATOM 0 HA ARG A 258 -19.144 3.100 1.895 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.586 1.047 0.732 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.901 0.570 0.788 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.059 0.366 3.274 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -19.755 0.798 3.189 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -20.341 -1.197 2.046 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -18.691 -1.508 1.545 1.00 0.64 H new ATOM 0 HE ARG A 258 -19.032 -1.526 4.455 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -19.260 -3.422 1.477 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -19.039 -4.965 2.308 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -18.751 -3.506 5.511 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -18.751 -5.012 4.587 1.00 1.06 H new ATOM 188 N HIS A 259 -15.925 2.694 2.077 1.00 0.37 N ATOM 189 CA HIS A 259 -14.752 2.816 2.932 1.00 0.35 C ATOM 190 C HIS A 259 -14.127 4.185 2.728 1.00 0.40 C ATOM 191 O HIS A 259 -14.246 4.761 1.655 1.00 0.63 O ATOM 192 CB HIS A 259 -13.728 1.719 2.614 1.00 0.38 C ATOM 193 CG HIS A 259 -14.232 0.332 2.868 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.500 -0.567 1.858 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.507 -0.313 4.027 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.918 -1.703 2.386 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.929 -1.575 3.699 1.00 0.75 N ATOM 0 H HIS A 259 -15.712 2.637 1.081 1.00 0.37 H new ATOM 0 HA HIS A 259 -15.059 2.701 3.972 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.432 1.803 1.568 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.833 1.886 3.213 1.00 0.38 H new ATOM 0 HD2 HIS A 259 -14.412 0.092 5.024 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -15.203 -2.588 1.836 1.00 0.76 H new ATOM 0 HE2 HIS A 259 -15.207 -2.298 4.363 1.00 0.75 H new ATOM 206 N HIS A 260 -13.479 4.718 3.748 1.00 0.36 N ATOM 207 CA HIS A 260 -12.852 6.027 3.622 1.00 0.42 C ATOM 208 C HIS A 260 -11.366 5.958 3.954 1.00 0.35 C ATOM 209 O HIS A 260 -10.709 6.982 4.119 1.00 0.42 O ATOM 210 CB HIS A 260 -13.554 7.048 4.519 1.00 0.56 C ATOM 211 CG HIS A 260 -14.910 7.459 4.020 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.181 7.721 2.695 1.00 0.97 N ATOM 213 CD2 HIS A 260 -16.076 7.654 4.682 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.452 8.052 2.562 1.00 1.09 C ATOM 215 NE2 HIS A 260 -17.018 8.020 3.752 1.00 1.01 N ATOM 0 H HIS A 260 -13.372 4.275 4.661 1.00 0.36 H new ATOM 0 HA HIS A 260 -12.952 6.349 2.585 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.657 6.629 5.520 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -12.925 7.934 4.607 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.235 7.542 5.744 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -16.945 8.306 1.635 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -17.996 8.232 3.950 1.00 1.01 H new ATOM 224 N PHE A 261 -10.843 4.742 4.037 1.00 0.30 N ATOM 225 CA PHE A 261 -9.436 4.532 4.341 1.00 0.25 C ATOM 226 C PHE A 261 -9.015 3.130 3.926 1.00 0.21 C ATOM 227 O PHE A 261 -9.863 2.254 3.716 1.00 0.22 O ATOM 228 CB PHE A 261 -9.142 4.768 5.833 1.00 0.28 C ATOM 229 CG PHE A 261 -10.089 4.083 6.781 1.00 0.32 C ATOM 230 CD1 PHE A 261 -9.874 2.772 7.170 1.00 0.36 C ATOM 231 CD2 PHE A 261 -11.185 4.762 7.295 1.00 0.52 C ATOM 232 CE1 PHE A 261 -10.736 2.148 8.052 1.00 0.44 C ATOM 233 CE2 PHE A 261 -12.051 4.141 8.174 1.00 0.62 C ATOM 234 CZ PHE A 261 -11.824 2.834 8.555 1.00 0.52 C ATOM 0 H PHE A 261 -11.376 3.883 3.897 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.854 5.258 3.773 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -8.128 4.429 6.047 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.167 5.840 6.028 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -9.024 2.231 6.780 1.00 0.36 H new ATOM 0 HD2 PHE A 261 -11.363 5.787 7.005 1.00 0.52 H new ATOM 0 HE1 PHE A 261 -10.559 1.124 8.348 1.00 0.44 H new ATOM 0 HE2 PHE A 261 -12.904 4.677 8.562 1.00 0.62 H new ATOM 0 HZ PHE A 261 -12.497 2.348 9.246 1.00 0.52 H new ATOM 244 N LEU A 262 -7.712 2.925 3.806 1.00 0.17 N ATOM 245 CA LEU A 262 -7.174 1.636 3.406 1.00 0.14 C ATOM 246 C LEU A 262 -7.197 0.672 4.584 1.00 0.12 C ATOM 247 O LEU A 262 -7.726 -0.438 4.484 1.00 0.14 O ATOM 248 CB LEU A 262 -5.747 1.802 2.862 1.00 0.14 C ATOM 249 CG LEU A 262 -5.646 2.177 1.377 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.267 1.840 0.838 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.714 1.469 0.555 1.00 0.34 C ATOM 0 H LEU A 262 -7.005 3.640 3.981 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.795 1.222 2.612 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.240 2.569 3.448 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.205 0.870 3.021 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.808 3.252 1.293 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.212 2.112 -0.216 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.513 2.395 1.396 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -4.085 0.771 0.947 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.616 1.755 -0.492 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.590 0.390 0.650 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.701 1.754 0.918 1.00 0.34 H new ATOM 263 N GLY A 263 -6.635 1.110 5.699 1.00 0.11 N ATOM 264 CA GLY A 263 -6.602 0.297 6.894 1.00 0.12 C ATOM 265 C GLY A 263 -5.404 -0.624 6.931 1.00 0.11 C ATOM 266 O GLY A 263 -5.526 -1.795 7.295 1.00 0.14 O ATOM 0 H GLY A 263 -6.196 2.026 5.797 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.586 0.945 7.771 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.515 -0.296 6.952 1.00 0.12 H new ATOM 270 N ILE A 264 -4.240 -0.106 6.557 1.00 0.09 N ATOM 271 CA ILE A 264 -3.023 -0.908 6.551 1.00 0.09 C ATOM 272 C ILE A 264 -1.836 -0.149 7.121 1.00 0.08 C ATOM 273 O ILE A 264 -1.787 1.087 7.094 1.00 0.11 O ATOM 274 CB ILE A 264 -2.645 -1.399 5.137 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.796 -0.272 4.113 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.491 -2.599 4.747 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.291 -0.634 2.732 1.00 0.18 C ATOM 0 H ILE A 264 -4.113 0.860 6.256 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.247 -1.768 7.182 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.599 -1.706 5.149 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.848 0.006 4.044 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.257 0.606 4.469 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.211 -2.932 3.748 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.325 -3.408 5.459 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.544 -2.319 4.755 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.431 0.213 2.060 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.231 -0.884 2.786 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.847 -1.492 2.355 1.00 0.18 H new ATOM 289 N SER A 265 -0.887 -0.908 7.641 1.00 0.09 N ATOM 290 CA SER A 265 0.332 -0.353 8.201 1.00 0.12 C ATOM 291 C SER A 265 1.482 -0.630 7.243 1.00 0.11 C ATOM 292 O SER A 265 1.757 -1.785 6.911 1.00 0.19 O ATOM 293 CB SER A 265 0.612 -0.977 9.571 1.00 0.20 C ATOM 294 OG SER A 265 1.688 -0.326 10.227 1.00 1.00 O ATOM 0 H SER A 265 -0.940 -1.926 7.687 1.00 0.09 H new ATOM 0 HA SER A 265 0.223 0.723 8.334 1.00 0.12 H new ATOM 0 HB2 SER A 265 -0.283 -0.916 10.190 1.00 0.20 H new ATOM 0 HB3 SER A 265 0.845 -2.035 9.450 1.00 0.20 H new ATOM 0 HG SER A 265 1.336 0.368 10.823 1.00 1.00 H new ATOM 300 N ILE A 266 2.136 0.424 6.783 1.00 0.10 N ATOM 301 CA ILE A 266 3.235 0.282 5.843 1.00 0.11 C ATOM 302 C ILE A 266 4.566 0.165 6.578 1.00 0.13 C ATOM 303 O ILE A 266 4.846 0.934 7.498 1.00 0.28 O ATOM 304 CB ILE A 266 3.301 1.472 4.858 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.894 1.899 4.407 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.159 1.115 3.651 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.091 0.780 3.779 1.00 0.16 C ATOM 0 H ILE A 266 1.925 1.387 7.045 1.00 0.10 H new ATOM 0 HA ILE A 266 3.051 -0.630 5.276 1.00 0.11 H new ATOM 0 HB ILE A 266 3.758 2.314 5.378 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.349 2.287 5.267 1.00 0.14 H new ATOM 0 HG13 ILE A 266 1.984 2.716 3.691 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.196 1.963 2.967 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.169 0.872 3.982 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.727 0.255 3.140 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.111 1.156 3.486 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.614 0.406 2.899 1.00 0.16 H new ATOM 0 HD13 ILE A 266 0.969 -0.029 4.499 1.00 0.16 H new ATOM 319 N VAL A 267 5.370 -0.811 6.184 1.00 0.12 N ATOM 320 CA VAL A 267 6.678 -1.027 6.789 1.00 0.14 C ATOM 321 C VAL A 267 7.775 -0.829 5.747 1.00 0.14 C ATOM 322 O VAL A 267 7.755 -1.460 4.691 1.00 0.23 O ATOM 323 CB VAL A 267 6.798 -2.444 7.398 1.00 0.24 C ATOM 324 CG1 VAL A 267 8.207 -2.694 7.921 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.775 -2.637 8.509 1.00 0.31 C ATOM 0 H VAL A 267 5.138 -1.471 5.442 1.00 0.12 H new ATOM 0 HA VAL A 267 6.793 -0.299 7.592 1.00 0.14 H new ATOM 0 HB VAL A 267 6.595 -3.169 6.610 1.00 0.24 H new ATOM 0 HG11 VAL A 267 8.265 -3.697 8.344 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.920 -2.604 7.102 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.444 -1.961 8.692 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.875 -3.639 8.925 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.946 -1.900 9.293 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.771 -2.510 8.105 1.00 0.31 H new ATOM 335 N GLY A 268 8.714 0.060 6.036 1.00 0.17 N ATOM 336 CA GLY A 268 9.800 0.319 5.113 1.00 0.23 C ATOM 337 C GLY A 268 11.025 -0.513 5.427 1.00 0.23 C ATOM 338 O GLY A 268 11.654 -0.334 6.472 1.00 0.37 O ATOM 0 H GLY A 268 8.743 0.608 6.896 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.469 0.107 4.096 1.00 0.23 H new ATOM 0 HA3 GLY A 268 10.062 1.377 5.149 1.00 0.23 H new ATOM 342 N GLN A 269 11.361 -1.426 4.527 1.00 0.27 N ATOM 343 CA GLN A 269 12.516 -2.291 4.708 1.00 0.34 C ATOM 344 C GLN A 269 13.806 -1.481 4.648 1.00 0.38 C ATOM 345 O GLN A 269 14.201 -0.990 3.588 1.00 0.50 O ATOM 346 CB GLN A 269 12.539 -3.391 3.644 1.00 0.49 C ATOM 347 CG GLN A 269 13.737 -4.322 3.758 1.00 0.67 C ATOM 348 CD GLN A 269 13.670 -5.199 4.989 1.00 1.19 C ATOM 349 OE1 GLN A 269 14.087 -4.795 6.074 1.00 1.81 O ATOM 350 NE2 GLN A 269 13.152 -6.405 4.828 1.00 1.87 N ATOM 0 H GLN A 269 10.847 -1.587 3.661 1.00 0.27 H new ATOM 0 HA GLN A 269 12.439 -2.757 5.690 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.624 -3.978 3.721 1.00 0.49 H new ATOM 0 HB3 GLN A 269 12.540 -2.930 2.656 1.00 0.49 H new ATOM 0 HG2 GLN A 269 13.791 -4.951 2.869 1.00 0.67 H new ATOM 0 HG3 GLN A 269 14.652 -3.731 3.786 1.00 0.67 H new ATOM 0 HE21 GLN A 269 12.818 -6.698 3.910 1.00 1.87 H new ATOM 0 HE22 GLN A 269 13.086 -7.042 5.622 1.00 1.87 H new ATOM 359 N SER A 270 14.451 -1.335 5.791 1.00 0.55 N ATOM 360 CA SER A 270 15.690 -0.590 5.874 1.00 0.70 C ATOM 361 C SER A 270 16.855 -1.540 6.122 1.00 0.83 C ATOM 362 O SER A 270 16.722 -2.521 6.856 1.00 1.17 O ATOM 363 CB SER A 270 15.600 0.449 6.991 1.00 0.96 C ATOM 364 OG SER A 270 14.365 1.145 6.927 1.00 1.10 O ATOM 0 H SER A 270 14.134 -1.726 6.678 1.00 0.55 H new ATOM 0 HA SER A 270 15.859 -0.073 4.930 1.00 0.70 H new ATOM 0 HB2 SER A 270 15.698 -0.041 7.960 1.00 0.96 H new ATOM 0 HB3 SER A 270 16.426 1.155 6.906 1.00 0.96 H new ATOM 0 HG SER A 270 14.324 1.805 7.650 1.00 1.10 H new ATOM 370 N ASN A 271 17.991 -1.251 5.508 1.00 0.91 N ATOM 371 CA ASN A 271 19.177 -2.085 5.651 1.00 1.15 C ATOM 372 C ASN A 271 20.408 -1.299 5.227 1.00 1.04 C ATOM 373 O ASN A 271 20.326 -0.092 5.002 1.00 1.29 O ATOM 374 CB ASN A 271 19.042 -3.360 4.803 1.00 1.43 C ATOM 375 CG ASN A 271 19.574 -4.592 5.514 1.00 2.09 C ATOM 376 OD1 ASN A 271 18.915 -5.145 6.393 1.00 2.75 O ATOM 377 ND2 ASN A 271 20.756 -5.042 5.130 1.00 2.37 N ATOM 0 H ASN A 271 18.119 -0.441 4.902 1.00 0.91 H new ATOM 0 HA ASN A 271 19.281 -2.377 6.696 1.00 1.15 H new ATOM 0 HB2 ASN A 271 17.993 -3.515 4.551 1.00 1.43 H new ATOM 0 HB3 ASN A 271 19.579 -3.226 3.864 1.00 1.43 H new ATOM 0 HD21 ASN A 271 21.151 -5.875 5.566 1.00 2.37 H new ATOM 0 HD22 ASN A 271 21.273 -4.556 4.397 1.00 2.37 H new ATOM 384 N ASP A 272 21.537 -1.987 5.114 1.00 1.04 N ATOM 385 CA ASP A 272 22.795 -1.366 4.704 1.00 1.02 C ATOM 386 C ASP A 272 22.641 -0.669 3.351 1.00 1.00 C ATOM 387 O ASP A 272 23.149 0.433 3.150 1.00 1.14 O ATOM 388 CB ASP A 272 23.920 -2.416 4.648 1.00 1.26 C ATOM 389 CG ASP A 272 23.713 -3.465 3.569 1.00 1.61 C ATOM 390 OD1 ASP A 272 22.588 -3.999 3.456 1.00 2.08 O ATOM 391 OD2 ASP A 272 24.676 -3.757 2.829 1.00 1.91 O ATOM 0 H ASP A 272 21.609 -2.987 5.302 1.00 1.04 H new ATOM 0 HA ASP A 272 23.062 -0.613 5.445 1.00 1.02 H new ATOM 0 HB2 ASP A 272 24.870 -1.911 4.476 1.00 1.26 H new ATOM 0 HB3 ASP A 272 23.993 -2.911 5.616 1.00 1.26 H new ATOM 396 N ARG A 273 21.935 -1.318 2.431 1.00 1.07 N ATOM 397 CA ARG A 273 21.696 -0.755 1.109 1.00 1.28 C ATOM 398 C ARG A 273 20.663 0.366 1.188 1.00 1.10 C ATOM 399 O ARG A 273 20.787 1.393 0.522 1.00 1.41 O ATOM 400 CB ARG A 273 21.217 -1.844 0.148 1.00 1.59 C ATOM 401 CG ARG A 273 22.215 -2.175 -0.952 1.00 1.84 C ATOM 402 CD ARG A 273 22.465 -0.982 -1.862 1.00 1.60 C ATOM 403 NE ARG A 273 22.976 -1.385 -3.174 1.00 1.78 N ATOM 404 CZ ARG A 273 22.216 -1.498 -4.267 1.00 2.01 C ATOM 405 NH1 ARG A 273 20.908 -1.270 -4.205 1.00 1.92 N ATOM 406 NH2 ARG A 273 22.765 -1.845 -5.428 1.00 2.63 N ATOM 0 H ARG A 273 21.518 -2.237 2.578 1.00 1.07 H new ATOM 0 HA ARG A 273 22.632 -0.342 0.734 1.00 1.28 H new ATOM 0 HB2 ARG A 273 21.004 -2.749 0.717 1.00 1.59 H new ATOM 0 HB3 ARG A 273 20.280 -1.526 -0.308 1.00 1.59 H new ATOM 0 HG2 ARG A 273 23.156 -2.495 -0.505 1.00 1.84 H new ATOM 0 HG3 ARG A 273 21.841 -3.011 -1.543 1.00 1.84 H new ATOM 0 HD2 ARG A 273 21.537 -0.425 -1.991 1.00 1.60 H new ATOM 0 HD3 ARG A 273 23.178 -0.308 -1.387 1.00 1.60 H new ATOM 0 HE ARG A 273 23.971 -1.592 -3.258 1.00 1.78 H new ATOM 0 HH11 ARG A 273 20.478 -1.007 -3.319 1.00 1.92 H new ATOM 0 HH12 ARG A 273 20.335 -1.358 -5.044 1.00 1.92 H new ATOM 0 HH21 ARG A 273 23.767 -2.025 -5.485 1.00 2.63 H new ATOM 0 HH22 ARG A 273 22.184 -1.931 -6.262 1.00 2.63 H new ATOM 420 N GLY A 274 19.639 0.155 2.005 1.00 0.89 N ATOM 421 CA GLY A 274 18.602 1.151 2.168 1.00 0.89 C ATOM 422 C GLY A 274 17.381 0.882 1.315 1.00 0.72 C ATOM 423 O GLY A 274 16.252 0.954 1.802 1.00 0.97 O ATOM 0 H GLY A 274 19.509 -0.692 2.559 1.00 0.89 H new ATOM 0 HA2 GLY A 274 18.305 1.189 3.216 1.00 0.89 H new ATOM 0 HA3 GLY A 274 19.005 2.132 1.915 1.00 0.89 H new ATOM 427 N ASP A 275 17.598 0.560 0.048 1.00 0.65 N ATOM 428 CA ASP A 275 16.500 0.285 -0.870 1.00 0.66 C ATOM 429 C ASP A 275 15.895 -1.097 -0.609 1.00 0.69 C ATOM 430 O ASP A 275 16.169 -2.067 -1.314 1.00 1.44 O ATOM 431 CB ASP A 275 16.962 0.423 -2.334 1.00 0.91 C ATOM 432 CG ASP A 275 18.090 -0.522 -2.721 1.00 1.10 C ATOM 433 OD1 ASP A 275 19.226 -0.345 -2.224 1.00 1.75 O ATOM 434 OD2 ASP A 275 17.850 -1.426 -3.549 1.00 1.53 O ATOM 0 H ASP A 275 18.526 0.482 -0.369 1.00 0.65 H new ATOM 0 HA ASP A 275 15.720 1.025 -0.693 1.00 0.66 H new ATOM 0 HB2 ASP A 275 16.111 0.244 -2.991 1.00 0.91 H new ATOM 0 HB3 ASP A 275 17.287 1.449 -2.506 1.00 0.91 H new ATOM 439 N GLY A 276 15.077 -1.180 0.427 1.00 0.48 N ATOM 440 CA GLY A 276 14.444 -2.433 0.769 1.00 0.43 C ATOM 441 C GLY A 276 13.056 -2.554 0.181 1.00 0.37 C ATOM 442 O GLY A 276 12.700 -3.595 -0.373 1.00 0.52 O ATOM 0 H GLY A 276 14.840 -0.399 1.039 1.00 0.48 H new ATOM 0 HA2 GLY A 276 15.060 -3.258 0.412 1.00 0.43 H new ATOM 0 HA3 GLY A 276 14.386 -2.524 1.854 1.00 0.43 H new ATOM 446 N GLY A 277 12.271 -1.494 0.302 1.00 0.30 N ATOM 447 CA GLY A 277 10.925 -1.507 -0.229 1.00 0.29 C ATOM 448 C GLY A 277 9.887 -1.424 0.867 1.00 0.24 C ATOM 449 O GLY A 277 10.199 -1.627 2.041 1.00 0.27 O ATOM 0 H GLY A 277 12.543 -0.624 0.759 1.00 0.30 H new ATOM 0 HA2 GLY A 277 10.797 -0.669 -0.915 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.771 -2.418 -0.807 1.00 0.29 H new ATOM 453 N ILE A 278 8.656 -1.121 0.495 1.00 0.21 N ATOM 454 CA ILE A 278 7.578 -1.010 1.464 1.00 0.19 C ATOM 455 C ILE A 278 6.719 -2.271 1.477 1.00 0.18 C ATOM 456 O ILE A 278 6.234 -2.724 0.437 1.00 0.23 O ATOM 457 CB ILE A 278 6.693 0.226 1.197 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.397 0.376 -0.297 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.371 1.477 1.739 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.297 1.372 -0.602 1.00 0.27 C ATOM 0 H ILE A 278 8.377 -0.947 -0.471 1.00 0.21 H new ATOM 0 HA ILE A 278 8.043 -0.890 2.443 1.00 0.19 H new ATOM 0 HB ILE A 278 5.742 0.089 1.712 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.308 0.685 -0.810 1.00 0.23 H new ATOM 0 HG13 ILE A 278 6.118 -0.596 -0.703 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.740 2.345 1.547 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.525 1.371 2.813 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.334 1.612 1.246 1.00 0.23 H new ATOM 0 HD11 ILE A 278 5.143 1.425 -1.680 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.373 1.053 -0.119 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.582 2.355 -0.227 1.00 0.27 H new ATOM 472 N TYR A 279 6.555 -2.841 2.661 1.00 0.15 N ATOM 473 CA TYR A 279 5.771 -4.055 2.837 1.00 0.16 C ATOM 474 C TYR A 279 4.574 -3.801 3.742 1.00 0.15 C ATOM 475 O TYR A 279 4.553 -2.836 4.506 1.00 0.18 O ATOM 476 CB TYR A 279 6.634 -5.159 3.457 1.00 0.19 C ATOM 477 CG TYR A 279 7.761 -5.648 2.573 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.965 -4.957 2.500 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.625 -6.811 1.825 1.00 0.44 C ATOM 480 CE1 TYR A 279 9.997 -5.408 1.700 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.654 -7.267 1.023 1.00 0.57 C ATOM 482 CZ TYR A 279 9.836 -6.564 0.967 1.00 0.55 C ATOM 483 OH TYR A 279 10.863 -7.019 0.172 1.00 0.72 O ATOM 0 H TYR A 279 6.960 -2.477 3.524 1.00 0.15 H new ATOM 0 HA TYR A 279 5.418 -4.369 1.854 1.00 0.16 H new ATOM 0 HB2 TYR A 279 7.057 -4.790 4.392 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.994 -6.005 3.708 1.00 0.19 H new ATOM 0 HD1 TYR A 279 9.096 -4.054 3.078 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.701 -7.367 1.871 1.00 0.44 H new ATOM 0 HE1 TYR A 279 10.925 -4.858 1.649 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.531 -8.170 0.443 1.00 0.57 H new ATOM 0 HH TYR A 279 10.588 -7.846 -0.277 1.00 0.72 H new ATOM 493 N ILE A 280 3.577 -4.665 3.644 1.00 0.16 N ATOM 494 CA ILE A 280 2.388 -4.560 4.474 1.00 0.16 C ATOM 495 C ILE A 280 2.660 -5.205 5.827 1.00 0.17 C ATOM 496 O ILE A 280 2.839 -6.421 5.918 1.00 0.21 O ATOM 497 CB ILE A 280 1.168 -5.245 3.811 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.861 -4.599 2.454 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.053 -5.182 4.723 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.487 -3.136 2.544 1.00 0.24 C ATOM 0 H ILE A 280 3.568 -5.451 2.994 1.00 0.16 H new ATOM 0 HA ILE A 280 2.153 -3.503 4.599 1.00 0.16 H new ATOM 0 HB ILE A 280 1.415 -6.294 3.647 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.733 -4.702 1.808 1.00 0.21 H new ATOM 0 HG13 ILE A 280 0.045 -5.144 1.979 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -0.897 -5.670 4.235 1.00 0.21 H new ATOM 0 HG22 ILE A 280 0.167 -5.691 5.662 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.303 -4.140 4.925 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.284 -2.750 1.545 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.403 -3.025 3.163 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.310 -2.577 2.989 1.00 0.24 H new ATOM 512 N GLY A 281 2.706 -4.389 6.871 1.00 0.20 N ATOM 513 CA GLY A 281 2.977 -4.897 8.201 1.00 0.23 C ATOM 514 C GLY A 281 1.769 -5.543 8.841 1.00 0.24 C ATOM 515 O GLY A 281 1.817 -6.710 9.236 1.00 0.42 O ATOM 0 H GLY A 281 2.560 -3.381 6.820 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.787 -5.625 8.149 1.00 0.23 H new ATOM 0 HA3 GLY A 281 3.323 -4.079 8.833 1.00 0.23 H new ATOM 519 N SER A 282 0.683 -4.789 8.945 1.00 0.25 N ATOM 520 CA SER A 282 -0.542 -5.291 9.555 1.00 0.29 C ATOM 521 C SER A 282 -1.766 -4.768 8.811 1.00 0.26 C ATOM 522 O SER A 282 -1.674 -3.782 8.071 1.00 0.30 O ATOM 523 CB SER A 282 -0.599 -4.862 11.024 1.00 0.35 C ATOM 524 OG SER A 282 0.703 -4.789 11.583 1.00 0.75 O ATOM 0 H SER A 282 0.625 -3.826 8.614 1.00 0.25 H new ATOM 0 HA SER A 282 -0.543 -6.379 9.496 1.00 0.29 H new ATOM 0 HB2 SER A 282 -1.088 -3.891 11.104 1.00 0.35 H new ATOM 0 HB3 SER A 282 -1.203 -5.571 11.591 1.00 0.35 H new ATOM 0 HG SER A 282 0.641 -4.512 12.521 1.00 0.75 H new ATOM 530 N ILE A 283 -2.902 -5.428 9.005 1.00 0.24 N ATOM 531 CA ILE A 283 -4.148 -5.035 8.358 1.00 0.23 C ATOM 532 C ILE A 283 -5.222 -4.751 9.404 1.00 0.23 C ATOM 533 O ILE A 283 -5.434 -5.544 10.322 1.00 0.30 O ATOM 534 CB ILE A 283 -4.662 -6.132 7.399 1.00 0.27 C ATOM 535 CG1 ILE A 283 -3.539 -6.617 6.475 1.00 0.32 C ATOM 536 CG2 ILE A 283 -5.836 -5.614 6.578 1.00 0.29 C ATOM 537 CD1 ILE A 283 -3.927 -7.799 5.613 1.00 0.53 C ATOM 0 H ILE A 283 -2.985 -6.245 9.611 1.00 0.24 H new ATOM 0 HA ILE A 283 -3.941 -4.134 7.780 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.001 -6.977 7.999 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.231 -5.794 5.830 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -2.674 -6.889 7.081 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.186 -6.399 5.908 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -6.645 -5.320 7.246 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -5.518 -4.752 5.992 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.082 -8.085 4.987 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.207 -8.638 6.250 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -4.772 -7.526 4.980 1.00 0.53 H new ATOM 549 N MET A 284 -5.892 -3.618 9.267 1.00 0.20 N ATOM 550 CA MET A 284 -6.941 -3.234 10.198 1.00 0.21 C ATOM 551 C MET A 284 -8.307 -3.631 9.654 1.00 0.22 C ATOM 552 O MET A 284 -8.739 -3.127 8.613 1.00 0.23 O ATOM 553 CB MET A 284 -6.901 -1.726 10.456 1.00 0.24 C ATOM 554 CG MET A 284 -5.713 -1.277 11.292 1.00 0.35 C ATOM 555 SD MET A 284 -5.728 -1.962 12.961 1.00 0.54 S ATOM 556 CE MET A 284 -4.499 -3.257 12.806 1.00 0.74 C ATOM 0 H MET A 284 -5.727 -2.946 8.517 1.00 0.20 H new ATOM 0 HA MET A 284 -6.771 -3.757 11.139 1.00 0.21 H new ATOM 0 HB2 MET A 284 -6.878 -1.204 9.499 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.821 -1.429 10.960 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.791 -1.573 10.792 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.708 -0.189 11.352 1.00 0.35 H new ATOM 0 HE1 MET A 284 -4.032 -3.433 13.775 1.00 0.74 H new ATOM 0 HE2 MET A 284 -4.978 -4.174 12.462 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.738 -2.953 12.087 1.00 0.74 H new ATOM 566 N LYS A 285 -8.975 -4.543 10.350 1.00 0.28 N ATOM 567 CA LYS A 285 -10.296 -4.997 9.936 1.00 0.33 C ATOM 568 C LYS A 285 -11.287 -3.842 9.997 1.00 0.33 C ATOM 569 O LYS A 285 -11.644 -3.367 11.075 1.00 0.46 O ATOM 570 CB LYS A 285 -10.764 -6.165 10.810 1.00 0.43 C ATOM 571 CG LYS A 285 -12.146 -6.698 10.455 1.00 0.49 C ATOM 572 CD LYS A 285 -12.267 -7.030 8.975 1.00 0.63 C ATOM 573 CE LYS A 285 -13.543 -7.804 8.674 1.00 0.83 C ATOM 574 NZ LYS A 285 -14.765 -7.058 9.081 1.00 1.01 N ATOM 0 H LYS A 285 -8.624 -4.982 11.202 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.239 -5.351 8.907 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.042 -6.977 10.728 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -10.767 -5.845 11.852 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -12.352 -7.591 11.045 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -12.900 -5.958 10.723 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -12.255 -6.108 8.393 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -11.403 -7.616 8.662 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -13.591 -8.021 7.607 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -13.515 -8.762 9.193 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -15.609 -7.568 8.751 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -14.793 -6.977 10.117 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -14.748 -6.107 8.659 1.00 1.01 H new ATOM 588 N GLY A 286 -11.708 -3.392 8.825 1.00 0.33 N ATOM 589 CA GLY A 286 -12.636 -2.287 8.731 1.00 0.35 C ATOM 590 C GLY A 286 -12.300 -1.400 7.554 1.00 0.30 C ATOM 591 O GLY A 286 -13.152 -0.676 7.037 1.00 0.36 O ATOM 0 H GLY A 286 -11.418 -3.779 7.927 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -13.652 -2.668 8.626 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -12.608 -1.703 9.651 1.00 0.35 H new ATOM 595 N GLY A 287 -11.043 -1.464 7.136 1.00 0.26 N ATOM 596 CA GLY A 287 -10.589 -0.681 6.010 1.00 0.24 C ATOM 597 C GLY A 287 -10.932 -1.330 4.686 1.00 0.22 C ATOM 598 O GLY A 287 -11.483 -2.432 4.649 1.00 0.24 O ATOM 0 H GLY A 287 -10.326 -2.051 7.563 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -11.040 0.311 6.054 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.510 -0.544 6.077 1.00 0.24 H new ATOM 602 N ALA A 288 -10.592 -0.657 3.596 1.00 0.21 N ATOM 603 CA ALA A 288 -10.877 -1.165 2.260 1.00 0.22 C ATOM 604 C ALA A 288 -10.064 -2.422 1.949 1.00 0.22 C ATOM 605 O ALA A 288 -10.532 -3.310 1.236 1.00 0.25 O ATOM 606 CB ALA A 288 -10.607 -0.086 1.222 1.00 0.24 C ATOM 0 H ALA A 288 -10.117 0.245 3.610 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.931 -1.440 2.224 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.823 -0.476 0.227 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -11.243 0.777 1.420 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.561 0.215 1.274 1.00 0.24 H new ATOM 612 N VAL A 289 -8.856 -2.496 2.501 1.00 0.20 N ATOM 613 CA VAL A 289 -7.976 -3.642 2.277 1.00 0.21 C ATOM 614 C VAL A 289 -8.489 -4.885 2.996 1.00 0.23 C ATOM 615 O VAL A 289 -8.478 -5.986 2.443 1.00 0.26 O ATOM 616 CB VAL A 289 -6.535 -3.343 2.748 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.641 -4.562 2.569 1.00 0.23 C ATOM 618 CG2 VAL A 289 -5.966 -2.153 1.995 1.00 0.20 C ATOM 0 H VAL A 289 -8.463 -1.776 3.107 1.00 0.20 H new ATOM 0 HA VAL A 289 -7.969 -3.829 1.203 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.569 -3.099 3.810 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.632 -4.326 2.908 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.036 -5.392 3.155 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.614 -4.842 1.516 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -4.951 -1.956 2.339 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -5.951 -2.371 0.927 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.587 -1.276 2.177 1.00 0.20 H new ATOM 628 N ALA A 290 -8.967 -4.696 4.219 1.00 0.23 N ATOM 629 CA ALA A 290 -9.478 -5.799 5.027 1.00 0.27 C ATOM 630 C ALA A 290 -10.745 -6.392 4.431 1.00 0.29 C ATOM 631 O ALA A 290 -11.130 -7.516 4.760 1.00 0.37 O ATOM 632 CB ALA A 290 -9.737 -5.332 6.450 1.00 0.29 C ATOM 0 H ALA A 290 -9.012 -3.785 4.676 1.00 0.23 H new ATOM 0 HA ALA A 290 -8.719 -6.581 5.038 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.118 -6.164 7.042 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -8.807 -4.970 6.889 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.472 -4.527 6.441 1.00 0.29 H new ATOM 638 N ALA A 291 -11.391 -5.634 3.556 1.00 0.29 N ATOM 639 CA ALA A 291 -12.614 -6.083 2.915 1.00 0.32 C ATOM 640 C ALA A 291 -12.311 -6.963 1.708 1.00 0.32 C ATOM 641 O ALA A 291 -13.197 -7.647 1.193 1.00 0.41 O ATOM 642 CB ALA A 291 -13.459 -4.890 2.499 1.00 0.38 C ATOM 0 H ALA A 291 -11.085 -4.702 3.275 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.174 -6.679 3.635 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.373 -5.241 2.020 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.714 -4.300 3.379 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -12.896 -4.272 1.799 1.00 0.38 H new ATOM 648 N ASP A 292 -11.060 -6.942 1.257 1.00 0.31 N ATOM 649 CA ASP A 292 -10.655 -7.743 0.109 1.00 0.32 C ATOM 650 C ASP A 292 -10.215 -9.131 0.555 1.00 0.30 C ATOM 651 O ASP A 292 -10.920 -10.115 0.337 1.00 0.38 O ATOM 652 CB ASP A 292 -9.530 -7.058 -0.667 1.00 0.37 C ATOM 653 CG ASP A 292 -9.312 -7.698 -2.021 1.00 0.43 C ATOM 654 OD1 ASP A 292 -8.618 -8.733 -2.090 1.00 0.45 O ATOM 655 OD2 ASP A 292 -9.846 -7.179 -3.021 1.00 0.55 O ATOM 0 H ASP A 292 -10.313 -6.381 1.668 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.516 -7.843 -0.552 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.769 -6.003 -0.798 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.607 -7.107 -0.089 1.00 0.37 H new ATOM 660 N GLY A 293 -9.049 -9.207 1.181 1.00 0.29 N ATOM 661 CA GLY A 293 -8.557 -10.481 1.665 1.00 0.33 C ATOM 662 C GLY A 293 -7.354 -11.005 0.901 1.00 0.33 C ATOM 663 O GLY A 293 -6.632 -11.866 1.405 1.00 0.39 O ATOM 0 H GLY A 293 -8.436 -8.412 1.362 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.292 -10.381 2.717 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.360 -11.216 1.607 1.00 0.33 H new ATOM 667 N ARG A 294 -7.138 -10.511 -0.315 1.00 0.31 N ATOM 668 CA ARG A 294 -6.003 -10.961 -1.122 1.00 0.32 C ATOM 669 C ARG A 294 -4.686 -10.465 -0.536 1.00 0.30 C ATOM 670 O ARG A 294 -3.680 -11.174 -0.557 1.00 0.37 O ATOM 671 CB ARG A 294 -6.141 -10.494 -2.571 1.00 0.35 C ATOM 672 CG ARG A 294 -6.977 -11.428 -3.426 1.00 0.41 C ATOM 673 CD ARG A 294 -7.300 -10.808 -4.775 1.00 0.44 C ATOM 674 NE ARG A 294 -8.204 -9.662 -4.645 1.00 0.43 N ATOM 675 CZ ARG A 294 -8.937 -9.174 -5.642 1.00 0.54 C ATOM 676 NH1 ARG A 294 -8.847 -9.697 -6.857 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.746 -8.147 -5.426 1.00 0.58 N ATOM 0 H ARG A 294 -7.726 -9.807 -0.761 1.00 0.31 H new ATOM 0 HA ARG A 294 -6.001 -12.051 -1.108 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.590 -9.501 -2.584 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.148 -10.401 -3.011 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.441 -12.365 -3.574 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -7.903 -11.670 -2.904 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.377 -10.490 -5.259 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -7.756 -11.559 -5.420 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.276 -9.210 -3.733 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.213 -10.477 -7.031 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -9.411 -9.319 -7.618 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.806 -7.732 -4.496 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -10.309 -7.772 -6.189 1.00 0.58 H new ATOM 691 N ILE A 295 -4.698 -9.246 -0.016 1.00 0.26 N ATOM 692 CA ILE A 295 -3.505 -8.665 0.586 1.00 0.25 C ATOM 693 C ILE A 295 -3.310 -9.228 1.990 1.00 0.25 C ATOM 694 O ILE A 295 -4.266 -9.340 2.761 1.00 0.29 O ATOM 695 CB ILE A 295 -3.590 -7.123 0.642 1.00 0.25 C ATOM 696 CG1 ILE A 295 -3.835 -6.557 -0.762 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.318 -6.535 1.245 1.00 0.27 C ATOM 698 CD1 ILE A 295 -3.978 -5.049 -0.802 1.00 0.37 C ATOM 0 H ILE A 295 -5.519 -8.641 0.002 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.650 -8.929 -0.037 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.427 -6.844 1.281 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -3.009 -6.851 -1.410 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -4.738 -7.008 -1.172 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.398 -5.448 1.275 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.185 -6.917 2.257 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.461 -6.819 0.634 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.149 -4.727 -1.829 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -4.822 -4.747 -0.182 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.066 -4.587 -0.424 1.00 0.37 H new ATOM 710 N GLU A 296 -2.083 -9.599 2.306 1.00 0.24 N ATOM 711 CA GLU A 296 -1.763 -10.161 3.607 1.00 0.26 C ATOM 712 C GLU A 296 -0.448 -9.580 4.121 1.00 0.24 C ATOM 713 O GLU A 296 0.330 -9.021 3.344 1.00 0.22 O ATOM 714 CB GLU A 296 -1.669 -11.691 3.504 1.00 0.31 C ATOM 715 CG GLU A 296 -0.421 -12.184 2.787 1.00 0.36 C ATOM 716 CD GLU A 296 -0.467 -13.666 2.488 1.00 0.49 C ATOM 717 OE1 GLU A 296 -1.016 -14.043 1.432 1.00 0.56 O ATOM 718 OE2 GLU A 296 0.047 -14.463 3.302 1.00 0.69 O ATOM 0 H GLU A 296 -1.286 -9.521 1.675 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.554 -9.904 4.312 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -1.691 -12.115 4.508 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -2.549 -12.065 2.980 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.301 -11.633 1.854 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.454 -11.968 3.400 1.00 0.36 H new ATOM 725 N PRO A 297 -0.186 -9.672 5.438 1.00 0.26 N ATOM 726 CA PRO A 297 1.059 -9.169 6.023 1.00 0.27 C ATOM 727 C PRO A 297 2.277 -9.817 5.369 1.00 0.27 C ATOM 728 O PRO A 297 2.394 -11.044 5.326 1.00 0.41 O ATOM 729 CB PRO A 297 0.955 -9.569 7.499 1.00 0.32 C ATOM 730 CG PRO A 297 -0.500 -9.752 7.751 1.00 0.34 C ATOM 731 CD PRO A 297 -1.080 -10.254 6.457 1.00 0.32 C ATOM 0 HA PRO A 297 1.184 -8.095 5.882 1.00 0.27 H new ATOM 0 HB2 PRO A 297 1.508 -10.487 7.698 1.00 0.32 H new ATOM 0 HB3 PRO A 297 1.373 -8.798 8.146 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -0.670 -10.464 8.558 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -0.966 -8.813 8.050 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.085 -11.343 6.414 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.111 -9.925 6.323 1.00 0.32 H new ATOM 739 N GLY A 298 3.165 -8.988 4.846 1.00 0.27 N ATOM 740 CA GLY A 298 4.348 -9.495 4.185 1.00 0.28 C ATOM 741 C GLY A 298 4.359 -9.159 2.709 1.00 0.25 C ATOM 742 O GLY A 298 5.397 -9.260 2.052 1.00 0.29 O ATOM 0 H GLY A 298 3.088 -7.971 4.867 1.00 0.27 H new ATOM 0 HA2 GLY A 298 5.236 -9.077 4.659 1.00 0.28 H new ATOM 0 HA3 GLY A 298 4.399 -10.576 4.311 1.00 0.28 H new ATOM 746 N ASP A 299 3.197 -8.774 2.186 1.00 0.22 N ATOM 747 CA ASP A 299 3.070 -8.405 0.778 1.00 0.22 C ATOM 748 C ASP A 299 3.840 -7.119 0.510 1.00 0.20 C ATOM 749 O ASP A 299 3.868 -6.221 1.352 1.00 0.21 O ATOM 750 CB ASP A 299 1.600 -8.209 0.393 1.00 0.24 C ATOM 751 CG ASP A 299 0.841 -9.516 0.225 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.481 -10.582 0.100 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.407 -9.483 0.219 1.00 0.28 O ATOM 0 H ASP A 299 2.329 -8.709 2.717 1.00 0.22 H new ATOM 0 HA ASP A 299 3.482 -9.214 0.175 1.00 0.22 H new ATOM 0 HB2 ASP A 299 1.109 -7.608 1.158 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.548 -7.645 -0.538 1.00 0.24 H new ATOM 758 N MET A 300 4.467 -7.033 -0.653 1.00 0.21 N ATOM 759 CA MET A 300 5.238 -5.849 -1.015 1.00 0.21 C ATOM 760 C MET A 300 4.450 -4.963 -1.974 1.00 0.19 C ATOM 761 O MET A 300 3.828 -5.454 -2.913 1.00 0.21 O ATOM 762 CB MET A 300 6.571 -6.252 -1.650 1.00 0.27 C ATOM 763 CG MET A 300 7.420 -5.069 -2.090 1.00 0.32 C ATOM 764 SD MET A 300 9.034 -5.565 -2.719 1.00 0.50 S ATOM 765 CE MET A 300 9.649 -4.005 -3.350 1.00 1.26 C ATOM 0 H MET A 300 4.459 -7.766 -1.362 1.00 0.21 H new ATOM 0 HA MET A 300 5.438 -5.284 -0.105 1.00 0.21 H new ATOM 0 HB2 MET A 300 7.138 -6.849 -0.936 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.375 -6.888 -2.513 1.00 0.27 H new ATOM 0 HG2 MET A 300 6.889 -4.514 -2.863 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.556 -4.391 -1.247 1.00 0.32 H new ATOM 0 HE1 MET A 300 10.711 -4.097 -3.576 1.00 1.26 H new ATOM 0 HE2 MET A 300 9.106 -3.740 -4.257 1.00 1.26 H new ATOM 0 HE3 MET A 300 9.504 -3.227 -2.601 1.00 1.26 H new ATOM 775 N LEU A 301 4.478 -3.660 -1.730 1.00 0.19 N ATOM 776 CA LEU A 301 3.775 -2.709 -2.580 1.00 0.19 C ATOM 777 C LEU A 301 4.674 -2.272 -3.728 1.00 0.20 C ATOM 778 O LEU A 301 5.797 -1.814 -3.504 1.00 0.24 O ATOM 779 CB LEU A 301 3.331 -1.490 -1.766 1.00 0.23 C ATOM 780 CG LEU A 301 2.263 -1.770 -0.707 1.00 0.33 C ATOM 781 CD1 LEU A 301 2.225 -0.641 0.313 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.899 -1.948 -1.362 1.00 0.47 C ATOM 0 H LEU A 301 4.980 -3.237 -0.950 1.00 0.19 H new ATOM 0 HA LEU A 301 2.889 -3.195 -2.988 1.00 0.19 H new ATOM 0 HB2 LEU A 301 4.205 -1.063 -1.274 1.00 0.23 H new ATOM 0 HB3 LEU A 301 2.950 -0.733 -2.452 1.00 0.23 H new ATOM 0 HG LEU A 301 2.517 -2.695 -0.190 1.00 0.33 H new ATOM 0 HD11 LEU A 301 1.461 -0.852 1.061 1.00 0.48 H new ATOM 0 HD12 LEU A 301 3.197 -0.558 0.800 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.990 0.297 -0.191 1.00 0.48 H new ATOM 0 HD21 LEU A 301 0.150 -2.147 -0.595 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.633 -1.039 -1.902 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.936 -2.786 -2.058 1.00 0.47 H new ATOM 794 N LEU A 302 4.193 -2.433 -4.953 1.00 0.20 N ATOM 795 CA LEU A 302 4.969 -2.050 -6.125 1.00 0.22 C ATOM 796 C LEU A 302 4.421 -0.765 -6.729 1.00 0.22 C ATOM 797 O LEU A 302 5.021 0.302 -6.600 1.00 0.29 O ATOM 798 CB LEU A 302 4.948 -3.165 -7.177 1.00 0.27 C ATOM 799 CG LEU A 302 5.400 -4.545 -6.695 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.293 -5.549 -7.832 1.00 0.53 C ATOM 801 CD2 LEU A 302 6.824 -4.492 -6.151 1.00 0.46 C ATOM 0 H LEU A 302 3.274 -2.824 -5.161 1.00 0.20 H new ATOM 0 HA LEU A 302 5.999 -1.884 -5.808 1.00 0.22 H new ATOM 0 HB2 LEU A 302 3.934 -3.252 -7.567 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.585 -2.865 -8.009 1.00 0.27 H new ATOM 0 HG LEU A 302 4.747 -4.863 -5.883 1.00 0.37 H new ATOM 0 HD11 LEU A 302 5.616 -6.530 -7.483 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.258 -5.607 -8.170 1.00 0.53 H new ATOM 0 HD13 LEU A 302 5.928 -5.231 -8.659 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.122 -5.485 -5.815 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.501 -4.156 -6.936 1.00 0.46 H new ATOM 0 HD23 LEU A 302 6.868 -3.797 -5.313 1.00 0.46 H new ATOM 813 N GLN A 303 3.263 -0.871 -7.364 1.00 0.21 N ATOM 814 CA GLN A 303 2.633 0.271 -8.000 1.00 0.22 C ATOM 815 C GLN A 303 1.234 0.493 -7.445 1.00 0.21 C ATOM 816 O GLN A 303 0.463 -0.452 -7.266 1.00 0.25 O ATOM 817 CB GLN A 303 2.576 0.061 -9.518 1.00 0.27 C ATOM 818 CG GLN A 303 1.782 1.129 -10.258 1.00 0.32 C ATOM 819 CD GLN A 303 1.638 0.843 -11.739 1.00 0.51 C ATOM 820 OE1 GLN A 303 0.623 1.178 -12.344 1.00 0.68 O ATOM 821 NE2 GLN A 303 2.646 0.226 -12.333 1.00 0.73 N ATOM 0 H GLN A 303 2.740 -1.742 -7.451 1.00 0.21 H new ATOM 0 HA GLN A 303 3.229 1.158 -7.787 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.593 0.040 -9.911 1.00 0.27 H new ATOM 0 HB3 GLN A 303 2.135 -0.914 -9.724 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.791 1.211 -9.812 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.272 2.094 -10.126 1.00 0.32 H new ATOM 0 HE21 GLN A 303 3.472 -0.036 -11.795 1.00 0.73 H new ATOM 0 HE22 GLN A 303 2.597 0.012 -13.329 1.00 0.73 H new ATOM 830 N VAL A 304 0.921 1.742 -7.154 1.00 0.20 N ATOM 831 CA VAL A 304 -0.385 2.099 -6.627 1.00 0.21 C ATOM 832 C VAL A 304 -0.938 3.289 -7.392 1.00 0.22 C ATOM 833 O VAL A 304 -0.465 4.411 -7.225 1.00 0.26 O ATOM 834 CB VAL A 304 -0.333 2.438 -5.120 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.730 2.724 -4.583 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.318 1.307 -4.335 1.00 0.27 C ATOM 0 H VAL A 304 1.556 2.531 -7.274 1.00 0.20 H new ATOM 0 HA VAL A 304 -1.035 1.233 -6.751 1.00 0.21 H new ATOM 0 HB VAL A 304 0.273 3.335 -4.996 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.670 2.960 -3.521 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -2.160 3.570 -5.119 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.361 1.846 -4.725 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.344 1.567 -3.277 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.258 0.392 -4.470 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.335 1.152 -4.696 1.00 0.27 H new ATOM 846 N ASN A 305 -1.925 3.027 -8.242 1.00 0.27 N ATOM 847 CA ASN A 305 -2.556 4.064 -9.056 1.00 0.33 C ATOM 848 C ASN A 305 -1.550 4.724 -9.999 1.00 0.31 C ATOM 849 O ASN A 305 -1.259 5.920 -9.886 1.00 0.34 O ATOM 850 CB ASN A 305 -3.249 5.122 -8.187 1.00 0.39 C ATOM 851 CG ASN A 305 -4.627 4.684 -7.722 1.00 0.78 C ATOM 852 OD1 ASN A 305 -4.846 3.521 -7.387 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.571 5.615 -7.706 1.00 1.14 N ATOM 0 H ASN A 305 -2.310 2.094 -8.387 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.318 3.572 -9.661 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -2.627 5.337 -7.318 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -3.338 6.050 -8.752 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.517 5.377 -7.409 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -5.351 6.569 -7.991 1.00 1.14 H new ATOM 860 N ASP A 306 -1.011 3.912 -10.904 1.00 0.32 N ATOM 861 CA ASP A 306 -0.056 4.342 -11.934 1.00 0.35 C ATOM 862 C ASP A 306 1.357 4.604 -11.413 1.00 0.31 C ATOM 863 O ASP A 306 2.327 4.167 -12.030 1.00 0.35 O ATOM 864 CB ASP A 306 -0.574 5.566 -12.694 1.00 0.42 C ATOM 865 CG ASP A 306 -1.533 5.186 -13.803 1.00 0.66 C ATOM 866 OD1 ASP A 306 -1.369 4.092 -14.390 1.00 1.06 O ATOM 867 OD2 ASP A 306 -2.450 5.976 -14.098 1.00 1.11 O ATOM 0 H ASP A 306 -1.227 2.916 -10.947 1.00 0.32 H new ATOM 0 HA ASP A 306 0.024 3.495 -12.615 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.074 6.239 -11.998 1.00 0.42 H new ATOM 0 HB3 ASP A 306 0.269 6.113 -13.116 1.00 0.42 H new ATOM 872 N VAL A 307 1.492 5.315 -10.302 1.00 0.30 N ATOM 873 CA VAL A 307 2.821 5.611 -9.763 1.00 0.29 C ATOM 874 C VAL A 307 3.478 4.361 -9.176 1.00 0.25 C ATOM 875 O VAL A 307 2.865 3.620 -8.401 1.00 0.28 O ATOM 876 CB VAL A 307 2.797 6.739 -8.706 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.581 8.087 -9.370 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.731 6.489 -7.654 1.00 0.53 C ATOM 0 H VAL A 307 0.715 5.694 -9.761 1.00 0.30 H new ATOM 0 HA VAL A 307 3.416 5.961 -10.607 1.00 0.29 H new ATOM 0 HB VAL A 307 3.765 6.746 -8.206 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.567 8.869 -8.610 1.00 0.71 H new ATOM 0 HG12 VAL A 307 3.390 8.280 -10.074 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.630 8.082 -9.903 1.00 0.71 H new ATOM 0 HG21 VAL A 307 1.741 7.300 -6.926 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.752 6.442 -8.132 1.00 0.53 H new ATOM 0 HG23 VAL A 307 1.934 5.545 -7.148 1.00 0.53 H new ATOM 888 N ASN A 308 4.725 4.129 -9.568 1.00 0.25 N ATOM 889 CA ASN A 308 5.485 2.973 -9.106 1.00 0.25 C ATOM 890 C ASN A 308 6.497 3.394 -8.045 1.00 0.24 C ATOM 891 O ASN A 308 7.126 4.444 -8.166 1.00 0.33 O ATOM 892 CB ASN A 308 6.206 2.322 -10.292 1.00 0.33 C ATOM 893 CG ASN A 308 6.673 0.910 -10.002 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.871 0.532 -8.855 1.00 0.58 O ATOM 895 ND2 ASN A 308 6.868 0.124 -11.046 1.00 0.74 N ATOM 0 H ASN A 308 5.236 4.733 -10.212 1.00 0.25 H new ATOM 0 HA ASN A 308 4.798 2.251 -8.663 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.537 2.307 -11.152 1.00 0.33 H new ATOM 0 HB3 ASN A 308 7.066 2.933 -10.567 1.00 0.33 H new ATOM 0 HD21 ASN A 308 7.194 -0.833 -10.910 1.00 0.74 H new ATOM 0 HD22 ASN A 308 6.692 0.474 -11.988 1.00 0.74 H new ATOM 902 N PHE A 309 6.657 2.567 -7.017 1.00 0.22 N ATOM 903 CA PHE A 309 7.581 2.865 -5.929 1.00 0.24 C ATOM 904 C PHE A 309 8.774 1.906 -5.920 1.00 0.26 C ATOM 905 O PHE A 309 9.611 1.960 -5.018 1.00 0.30 O ATOM 906 CB PHE A 309 6.848 2.790 -4.586 1.00 0.28 C ATOM 907 CG PHE A 309 5.566 3.574 -4.556 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.572 4.949 -4.739 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.352 2.937 -4.347 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.395 5.671 -4.714 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.172 3.656 -4.321 1.00 0.33 C ATOM 912 CZ PHE A 309 3.193 5.023 -4.506 1.00 0.33 C ATOM 0 H PHE A 309 6.158 1.684 -6.915 1.00 0.22 H new ATOM 0 HA PHE A 309 7.963 3.874 -6.085 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.631 1.746 -4.357 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.508 3.158 -3.800 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.509 5.461 -4.903 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.328 1.867 -4.203 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.414 6.741 -4.857 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.233 3.148 -4.156 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.271 5.585 -4.488 1.00 0.33 H new ATOM 922 N GLU A 310 8.859 1.043 -6.934 1.00 0.29 N ATOM 923 CA GLU A 310 9.951 0.067 -7.035 1.00 0.33 C ATOM 924 C GLU A 310 11.319 0.745 -7.111 1.00 0.35 C ATOM 925 O GLU A 310 12.332 0.162 -6.720 1.00 0.47 O ATOM 926 CB GLU A 310 9.753 -0.838 -8.258 1.00 0.40 C ATOM 927 CG GLU A 310 8.677 -1.899 -8.071 1.00 0.54 C ATOM 928 CD GLU A 310 8.444 -2.731 -9.319 1.00 0.67 C ATOM 929 OE1 GLU A 310 7.727 -2.264 -10.230 1.00 1.04 O ATOM 930 OE2 GLU A 310 8.982 -3.856 -9.398 1.00 1.21 O ATOM 0 H GLU A 310 8.185 0.998 -7.699 1.00 0.29 H new ATOM 0 HA GLU A 310 9.925 -0.537 -6.128 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.495 -0.220 -9.118 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.698 -1.329 -8.491 1.00 0.40 H new ATOM 0 HG2 GLU A 310 8.962 -2.557 -7.250 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.743 -1.416 -7.783 1.00 0.54 H new ATOM 937 N ASN A 311 11.353 1.973 -7.607 1.00 0.35 N ATOM 938 CA ASN A 311 12.609 2.710 -7.728 1.00 0.41 C ATOM 939 C ASN A 311 12.593 3.961 -6.853 1.00 0.37 C ATOM 940 O ASN A 311 13.283 4.941 -7.128 1.00 0.48 O ATOM 941 CB ASN A 311 12.860 3.092 -9.187 1.00 0.54 C ATOM 942 CG ASN A 311 14.334 3.092 -9.552 1.00 0.89 C ATOM 943 OD1 ASN A 311 15.206 3.220 -8.691 1.00 1.27 O ATOM 944 ND2 ASN A 311 14.625 2.950 -10.836 1.00 1.32 N ATOM 0 H ASN A 311 10.531 2.481 -7.932 1.00 0.35 H new ATOM 0 HA ASN A 311 13.417 2.063 -7.386 1.00 0.41 H new ATOM 0 HB2 ASN A 311 12.330 2.395 -9.836 1.00 0.54 H new ATOM 0 HB3 ASN A 311 12.444 4.082 -9.375 1.00 0.54 H new ATOM 0 HD21 ASN A 311 15.598 2.944 -11.141 1.00 1.32 H new ATOM 0 HD22 ASN A 311 13.876 2.847 -11.520 1.00 1.32 H new ATOM 951 N MET A 312 11.806 3.923 -5.789 1.00 0.30 N ATOM 952 CA MET A 312 11.708 5.058 -4.880 1.00 0.28 C ATOM 953 C MET A 312 12.163 4.665 -3.482 1.00 0.26 C ATOM 954 O MET A 312 12.311 3.478 -3.183 1.00 0.34 O ATOM 955 CB MET A 312 10.275 5.588 -4.845 1.00 0.28 C ATOM 956 CG MET A 312 9.868 6.303 -6.126 1.00 0.39 C ATOM 957 SD MET A 312 8.139 6.814 -6.129 1.00 0.37 S ATOM 958 CE MET A 312 8.144 8.086 -4.871 1.00 0.51 C ATOM 0 H MET A 312 11.228 3.123 -5.533 1.00 0.30 H new ATOM 0 HA MET A 312 12.363 5.849 -5.244 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.592 4.758 -4.667 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.169 6.274 -4.004 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.501 7.180 -6.263 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.048 5.645 -6.976 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.403 8.846 -5.119 1.00 0.51 H new ATOM 0 HE2 MET A 312 7.900 7.644 -3.905 1.00 0.51 H new ATOM 0 HE3 MET A 312 9.132 8.544 -4.821 1.00 0.51 H new ATOM 968 N SER A 313 12.402 5.657 -2.634 1.00 0.26 N ATOM 969 CA SER A 313 12.843 5.398 -1.273 1.00 0.28 C ATOM 970 C SER A 313 11.667 4.920 -0.430 1.00 0.24 C ATOM 971 O SER A 313 10.509 5.069 -0.828 1.00 0.26 O ATOM 972 CB SER A 313 13.459 6.660 -0.652 1.00 0.36 C ATOM 973 OG SER A 313 12.453 7.570 -0.236 1.00 0.97 O ATOM 0 H SER A 313 12.298 6.645 -2.865 1.00 0.26 H new ATOM 0 HA SER A 313 13.606 4.620 -1.297 1.00 0.28 H new ATOM 0 HB2 SER A 313 14.078 6.384 0.201 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.113 7.144 -1.378 1.00 0.36 H new ATOM 0 HG SER A 313 12.647 8.460 -0.597 1.00 0.97 H new ATOM 979 N ASN A 314 11.966 4.352 0.733 1.00 0.26 N ATOM 980 CA ASN A 314 10.929 3.861 1.635 1.00 0.27 C ATOM 981 C ASN A 314 10.076 5.023 2.114 1.00 0.25 C ATOM 982 O ASN A 314 8.862 4.905 2.259 1.00 0.33 O ATOM 983 CB ASN A 314 11.550 3.153 2.848 1.00 0.35 C ATOM 984 CG ASN A 314 12.361 1.927 2.472 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.996 1.168 1.577 1.00 0.45 O ATOM 986 ND2 ASN A 314 13.480 1.734 3.153 1.00 0.48 N ATOM 0 H ASN A 314 12.918 4.220 1.074 1.00 0.26 H new ATOM 0 HA ASN A 314 10.311 3.146 1.091 1.00 0.27 H new ATOM 0 HB2 ASN A 314 12.190 3.855 3.382 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.756 2.859 3.535 1.00 0.35 H new ATOM 0 HD21 ASN A 314 14.074 0.932 2.942 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.748 2.387 3.889 1.00 0.48 H new ATOM 993 N ASP A 315 10.731 6.155 2.326 1.00 0.26 N ATOM 994 CA ASP A 315 10.073 7.364 2.798 1.00 0.28 C ATOM 995 C ASP A 315 9.195 7.970 1.707 1.00 0.23 C ATOM 996 O ASP A 315 8.002 8.204 1.911 1.00 0.24 O ATOM 997 CB ASP A 315 11.128 8.385 3.227 1.00 0.37 C ATOM 998 CG ASP A 315 10.603 9.400 4.221 1.00 0.83 C ATOM 999 OD1 ASP A 315 9.799 10.266 3.830 1.00 1.36 O ATOM 1000 OD2 ASP A 315 11.014 9.351 5.400 1.00 1.40 O ATOM 0 H ASP A 315 11.734 6.261 2.175 1.00 0.26 H new ATOM 0 HA ASP A 315 9.440 7.103 3.646 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.976 7.860 3.667 1.00 0.37 H new ATOM 0 HB3 ASP A 315 11.499 8.907 2.345 1.00 0.37 H new ATOM 1005 N ASP A 316 9.797 8.206 0.542 1.00 0.23 N ATOM 1006 CA ASP A 316 9.098 8.803 -0.599 1.00 0.24 C ATOM 1007 C ASP A 316 7.892 7.973 -1.019 1.00 0.19 C ATOM 1008 O ASP A 316 6.866 8.517 -1.431 1.00 0.20 O ATOM 1009 CB ASP A 316 10.046 8.959 -1.796 1.00 0.32 C ATOM 1010 CG ASP A 316 10.982 10.146 -1.665 1.00 0.50 C ATOM 1011 OD1 ASP A 316 12.022 10.015 -0.984 1.00 0.88 O ATOM 1012 OD2 ASP A 316 10.690 11.206 -2.257 1.00 0.69 O ATOM 0 H ASP A 316 10.778 7.991 0.361 1.00 0.23 H new ATOM 0 HA ASP A 316 8.748 9.785 -0.279 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.636 8.049 -1.905 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.457 9.068 -2.706 1.00 0.32 H new ATOM 1017 N ALA A 317 8.023 6.658 -0.914 1.00 0.17 N ATOM 1018 CA ALA A 317 6.954 5.742 -1.290 1.00 0.16 C ATOM 1019 C ALA A 317 5.672 6.005 -0.503 1.00 0.14 C ATOM 1020 O ALA A 317 4.600 6.173 -1.087 1.00 0.17 O ATOM 1021 CB ALA A 317 7.404 4.305 -1.094 1.00 0.20 C ATOM 0 H ALA A 317 8.866 6.198 -0.569 1.00 0.17 H new ATOM 0 HA ALA A 317 6.732 5.912 -2.343 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.597 3.629 -1.378 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.277 4.109 -1.716 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.661 4.144 -0.047 1.00 0.20 H new ATOM 1027 N VAL A 318 5.783 6.065 0.820 1.00 0.12 N ATOM 1028 CA VAL A 318 4.613 6.294 1.661 1.00 0.12 C ATOM 1029 C VAL A 318 4.094 7.718 1.499 1.00 0.11 C ATOM 1030 O VAL A 318 2.896 7.962 1.644 1.00 0.14 O ATOM 1031 CB VAL A 318 4.880 6.017 3.158 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.612 5.533 3.840 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.996 4.999 3.332 1.00 0.21 C ATOM 0 H VAL A 318 6.661 5.960 1.329 1.00 0.12 H new ATOM 0 HA VAL A 318 3.859 5.583 1.321 1.00 0.12 H new ATOM 0 HB VAL A 318 5.196 6.950 3.625 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.816 5.342 4.894 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.838 6.295 3.752 1.00 0.18 H new ATOM 0 HG13 VAL A 318 3.271 4.614 3.364 1.00 0.18 H new ATOM 0 HG21 VAL A 318 6.164 4.822 4.394 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.714 4.064 2.848 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.911 5.381 2.878 1.00 0.21 H new ATOM 1043 N ARG A 319 4.995 8.649 1.180 1.00 0.12 N ATOM 1044 CA ARG A 319 4.621 10.052 0.980 1.00 0.16 C ATOM 1045 C ARG A 319 3.534 10.157 -0.083 1.00 0.14 C ATOM 1046 O ARG A 319 2.515 10.825 0.107 1.00 0.22 O ATOM 1047 CB ARG A 319 5.831 10.891 0.550 1.00 0.21 C ATOM 1048 CG ARG A 319 6.863 11.115 1.643 1.00 0.35 C ATOM 1049 CD ARG A 319 7.947 12.081 1.185 1.00 0.40 C ATOM 1050 NE ARG A 319 9.106 12.066 2.076 1.00 0.50 N ATOM 1051 CZ ARG A 319 10.028 13.025 2.130 1.00 0.61 C ATOM 1052 NH1 ARG A 319 9.942 14.083 1.330 1.00 0.83 N ATOM 1053 NH2 ARG A 319 11.038 12.920 2.988 1.00 0.81 N ATOM 0 H ARG A 319 5.989 8.458 1.054 1.00 0.12 H new ATOM 0 HA ARG A 319 4.248 10.437 1.929 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.315 10.401 -0.295 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.478 11.860 0.197 1.00 0.21 H new ATOM 0 HG2 ARG A 319 6.374 11.509 2.534 1.00 0.35 H new ATOM 0 HG3 ARG A 319 7.314 10.163 1.922 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.263 11.819 0.175 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.538 13.090 1.140 1.00 0.40 H new ATOM 0 HE ARG A 319 9.216 11.266 2.699 1.00 0.50 H new ATOM 0 HH11 ARG A 319 9.167 14.163 0.671 1.00 0.83 H new ATOM 0 HH12 ARG A 319 10.651 14.815 1.375 1.00 0.83 H new ATOM 0 HH21 ARG A 319 11.104 12.107 3.601 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.747 13.652 3.033 1.00 0.81 H new ATOM 1067 N VAL A 320 3.756 9.479 -1.201 1.00 0.10 N ATOM 1068 CA VAL A 320 2.804 9.485 -2.301 1.00 0.10 C ATOM 1069 C VAL A 320 1.604 8.605 -1.973 1.00 0.09 C ATOM 1070 O VAL A 320 0.459 8.979 -2.237 1.00 0.11 O ATOM 1071 CB VAL A 320 3.453 8.991 -3.612 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.512 9.188 -4.793 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.773 9.703 -3.862 1.00 0.17 C ATOM 0 H VAL A 320 4.590 8.917 -1.369 1.00 0.10 H new ATOM 0 HA VAL A 320 2.476 10.515 -2.441 1.00 0.10 H new ATOM 0 HB VAL A 320 3.651 7.924 -3.506 1.00 0.14 H new ATOM 0 HG11 VAL A 320 2.993 8.832 -5.704 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.593 8.626 -4.624 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.276 10.247 -4.897 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.212 9.339 -4.791 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.599 10.776 -3.939 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.456 9.505 -3.036 1.00 0.17 H new ATOM 1083 N LEU A 321 1.875 7.445 -1.376 1.00 0.08 N ATOM 1084 CA LEU A 321 0.825 6.496 -1.008 1.00 0.09 C ATOM 1085 C LEU A 321 -0.247 7.156 -0.151 1.00 0.09 C ATOM 1086 O LEU A 321 -1.440 7.049 -0.441 1.00 0.10 O ATOM 1087 CB LEU A 321 1.417 5.310 -0.244 1.00 0.11 C ATOM 1088 CG LEU A 321 0.479 4.112 -0.068 1.00 0.20 C ATOM 1089 CD1 LEU A 321 0.135 3.493 -1.412 1.00 0.38 C ATOM 1090 CD2 LEU A 321 1.110 3.076 0.846 1.00 0.29 C ATOM 0 H LEU A 321 2.818 7.139 -1.136 1.00 0.08 H new ATOM 0 HA LEU A 321 0.367 6.145 -1.933 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.314 4.975 -0.764 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.730 5.654 0.742 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.444 4.466 0.390 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -0.532 2.644 -1.262 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.358 4.236 -2.039 1.00 0.38 H new ATOM 0 HD13 LEU A 321 1.048 3.154 -1.901 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.431 2.231 0.961 1.00 0.29 H new ATOM 0 HD22 LEU A 321 2.048 2.731 0.412 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.304 3.521 1.822 1.00 0.29 H new ATOM 1102 N ARG A 322 0.185 7.848 0.896 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.740 8.510 1.800 1.00 0.12 C ATOM 1104 C ARG A 322 -1.542 9.579 1.073 1.00 0.13 C ATOM 1105 O ARG A 322 -2.727 9.760 1.343 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.001 9.102 2.999 1.00 0.15 C ATOM 1107 CG ARG A 322 0.662 8.051 3.874 1.00 0.19 C ATOM 1108 CD ARG A 322 1.071 8.620 5.225 1.00 0.34 C ATOM 1109 NE ARG A 322 -0.057 8.729 6.150 1.00 0.49 N ATOM 1110 CZ ARG A 322 0.036 9.228 7.379 1.00 1.05 C ATOM 1111 NH1 ARG A 322 1.203 9.657 7.839 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -1.039 9.289 8.151 1.00 1.28 N ATOM 0 H ARG A 322 1.169 7.964 1.138 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.440 7.762 2.172 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.757 9.799 2.642 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.703 9.677 3.602 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.023 7.216 4.023 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.541 7.655 3.365 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.839 7.984 5.666 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.516 9.605 5.082 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.970 8.403 5.833 1.00 0.49 H new ATOM 0 HH11 ARG A 322 2.034 9.605 7.250 1.00 1.57 H new ATOM 0 HH12 ARG A 322 1.270 10.039 8.782 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -1.937 8.953 7.802 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -0.969 9.672 9.094 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.901 10.272 0.139 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.576 11.304 -0.634 1.00 0.15 C ATOM 1128 C GLU A 323 -2.701 10.697 -1.467 1.00 0.14 C ATOM 1129 O GLU A 323 -3.808 11.230 -1.511 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.587 12.036 -1.542 1.00 0.20 C ATOM 1131 CG GLU A 323 0.022 13.267 -0.900 1.00 0.62 C ATOM 1132 CD GLU A 323 -1.026 14.222 -0.370 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -1.805 14.767 -1.179 1.00 1.76 O ATOM 1134 OE2 GLU A 323 -1.074 14.430 0.862 1.00 1.87 O ATOM 0 H GLU A 323 0.082 10.138 -0.100 1.00 0.12 H new ATOM 0 HA GLU A 323 -2.004 12.024 0.064 1.00 0.15 H new ATOM 0 HB2 GLU A 323 0.212 11.350 -1.825 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -1.096 12.328 -2.460 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.676 12.961 -0.084 1.00 0.62 H new ATOM 0 HG3 GLU A 323 0.644 13.784 -1.631 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.414 9.567 -2.099 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.394 8.874 -2.929 1.00 0.14 C ATOM 1143 C ILE A 324 -4.604 8.437 -2.105 1.00 0.14 C ATOM 1144 O ILE A 324 -5.748 8.690 -2.482 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.773 7.636 -3.615 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.568 8.041 -4.464 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.808 6.923 -4.477 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.726 6.867 -4.918 1.00 0.29 C ATOM 0 H ILE A 324 -1.505 9.107 -2.053 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.718 9.579 -3.694 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.437 6.950 -2.838 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -1.918 8.587 -5.340 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -0.943 8.726 -3.890 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.351 6.055 -4.951 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.641 6.599 -3.853 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.174 7.605 -5.245 1.00 0.23 H new ATOM 0 HD11 ILE A 324 0.111 7.229 -5.515 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.346 6.333 -4.047 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.336 6.193 -5.519 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.343 7.815 -0.958 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.410 7.332 -0.086 1.00 0.13 C ATOM 1162 C VAL A 325 -6.177 8.497 0.557 1.00 0.16 C ATOM 1163 O VAL A 325 -7.278 8.323 1.079 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.856 6.379 1.002 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.987 5.746 1.802 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.990 5.306 0.361 1.00 0.16 C ATOM 0 H VAL A 325 -3.401 7.634 -0.611 1.00 0.11 H new ATOM 0 HA VAL A 325 -6.108 6.770 -0.707 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.245 6.962 1.691 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.570 5.082 2.559 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.571 6.528 2.288 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.631 5.175 1.133 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.605 4.640 1.133 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.587 4.732 -0.348 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.157 5.775 -0.162 1.00 0.16 H new ATOM 1176 N SER A 326 -5.603 9.692 0.500 1.00 0.19 N ATOM 1177 CA SER A 326 -6.249 10.870 1.063 1.00 0.24 C ATOM 1178 C SER A 326 -7.205 11.502 0.052 1.00 0.27 C ATOM 1179 O SER A 326 -7.938 12.438 0.376 1.00 0.44 O ATOM 1180 CB SER A 326 -5.204 11.894 1.511 1.00 0.32 C ATOM 1181 OG SER A 326 -4.402 11.380 2.562 1.00 0.37 O ATOM 0 H SER A 326 -4.695 9.871 0.071 1.00 0.19 H new ATOM 0 HA SER A 326 -6.826 10.554 1.933 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.571 12.166 0.666 1.00 0.32 H new ATOM 0 HB3 SER A 326 -5.702 12.805 1.842 1.00 0.32 H new ATOM 0 HG SER A 326 -3.961 10.557 2.264 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.204 10.975 -1.164 1.00 0.27 N ATOM 1188 CA GLN A 327 -8.064 11.481 -2.222 1.00 0.32 C ATOM 1189 C GLN A 327 -9.290 10.593 -2.384 1.00 0.34 C ATOM 1190 O GLN A 327 -9.235 9.386 -2.145 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.294 11.571 -3.542 1.00 0.41 C ATOM 1192 CG GLN A 327 -6.895 12.991 -3.920 1.00 0.63 C ATOM 1193 CD GLN A 327 -6.218 13.740 -2.787 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -6.874 14.431 -2.006 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -4.907 13.609 -2.687 1.00 0.94 N ATOM 0 H GLN A 327 -6.613 10.192 -1.443 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.396 12.482 -1.945 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.396 10.957 -3.472 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -7.906 11.150 -4.340 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.223 12.957 -4.778 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -7.783 13.541 -4.232 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -4.400 13.027 -3.354 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -4.402 14.090 -1.943 1.00 0.94 H new ATOM 1204 N THR A 328 -10.396 11.197 -2.782 1.00 0.42 N ATOM 1205 CA THR A 328 -11.639 10.472 -2.965 1.00 0.49 C ATOM 1206 C THR A 328 -11.741 9.889 -4.374 1.00 0.51 C ATOM 1207 O THR A 328 -12.266 10.532 -5.289 1.00 0.84 O ATOM 1208 CB THR A 328 -12.837 11.397 -2.698 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.405 12.767 -2.759 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.453 11.111 -1.335 1.00 0.89 C ATOM 0 H THR A 328 -10.457 12.195 -2.986 1.00 0.42 H new ATOM 0 HA THR A 328 -11.651 9.647 -2.253 1.00 0.49 H new ATOM 0 HB THR A 328 -13.595 11.214 -3.460 1.00 0.66 H new ATOM 0 HG1 THR A 328 -13.168 13.358 -2.591 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.299 11.779 -1.171 1.00 0.89 H new ATOM 0 HG22 THR A 328 -13.795 10.077 -1.300 1.00 0.89 H new ATOM 0 HG23 THR A 328 -12.707 11.272 -0.557 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.221 8.683 -4.550 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.264 8.034 -5.846 1.00 0.44 C ATOM 1220 C GLY A 329 -10.926 6.559 -5.759 1.00 0.39 C ATOM 1221 O GLY A 329 -10.561 6.078 -4.689 1.00 0.43 O ATOM 0 H GLY A 329 -10.768 8.140 -3.815 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.258 8.152 -6.277 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -10.563 8.526 -6.520 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.057 5.814 -6.869 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.755 4.378 -6.900 1.00 0.39 C ATOM 1227 C PRO A 330 -9.271 4.091 -6.678 1.00 0.36 C ATOM 1228 O PRO A 330 -8.404 4.815 -7.174 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.181 3.949 -8.307 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.161 5.194 -9.120 1.00 0.58 C ATOM 1231 CD PRO A 330 -11.508 6.313 -8.183 1.00 0.52 C ATOM 0 HA PRO A 330 -11.270 3.839 -6.105 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.499 3.203 -8.714 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.175 3.501 -8.298 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -10.179 5.351 -9.567 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -11.878 5.136 -9.939 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -11.000 7.238 -8.457 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -12.578 6.523 -8.187 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.983 3.033 -5.932 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.606 2.666 -5.641 1.00 0.25 C ATOM 1241 C ILE A 331 -7.279 1.267 -6.161 1.00 0.25 C ATOM 1242 O ILE A 331 -7.949 0.287 -5.823 1.00 0.30 O ATOM 1243 CB ILE A 331 -7.310 2.735 -4.124 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.536 4.158 -3.600 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.884 2.280 -3.833 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.323 4.300 -2.108 1.00 0.35 C ATOM 0 H ILE A 331 -9.683 2.416 -5.519 1.00 0.27 H new ATOM 0 HA ILE A 331 -6.973 3.389 -6.155 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.996 2.062 -3.609 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.862 4.838 -4.120 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.552 4.468 -3.844 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.696 2.336 -2.761 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.754 1.252 -4.171 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -5.181 2.926 -4.359 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.501 5.334 -1.812 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -8.015 3.646 -1.578 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -6.299 4.022 -1.859 1.00 0.35 H new ATOM 1258 N SER A 332 -6.249 1.192 -6.990 1.00 0.28 N ATOM 1259 CA SER A 332 -5.793 -0.067 -7.554 1.00 0.31 C ATOM 1260 C SER A 332 -4.417 -0.409 -6.987 1.00 0.27 C ATOM 1261 O SER A 332 -3.401 0.162 -7.393 1.00 0.31 O ATOM 1262 CB SER A 332 -5.735 0.031 -9.077 1.00 0.41 C ATOM 1263 OG SER A 332 -6.868 0.718 -9.583 1.00 1.09 O ATOM 0 H SER A 332 -5.707 2.002 -7.290 1.00 0.28 H new ATOM 0 HA SER A 332 -6.493 -0.859 -7.288 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.825 0.551 -9.378 1.00 0.41 H new ATOM 0 HB3 SER A 332 -5.688 -0.969 -9.508 1.00 0.41 H new ATOM 0 HG SER A 332 -6.809 0.771 -10.560 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.393 -1.331 -6.038 1.00 0.27 N ATOM 1270 CA LEU A 333 -3.153 -1.730 -5.390 1.00 0.26 C ATOM 1271 C LEU A 333 -2.516 -2.931 -6.078 1.00 0.26 C ATOM 1272 O LEU A 333 -3.126 -3.994 -6.184 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.410 -2.066 -3.920 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.700 -0.871 -3.012 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -4.583 -1.290 -1.852 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.407 -0.271 -2.490 1.00 0.39 C ATOM 0 H LEU A 333 -5.222 -1.819 -5.698 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.463 -0.889 -5.463 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -4.253 -2.755 -3.865 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.541 -2.595 -3.529 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.223 -0.116 -3.598 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.780 -0.428 -1.215 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -5.525 -1.681 -2.235 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -4.079 -2.062 -1.271 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -2.634 0.578 -1.846 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.861 -1.023 -1.920 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -1.796 0.063 -3.329 1.00 0.39 H new ATOM 1288 N THR A 334 -1.291 -2.749 -6.547 1.00 0.24 N ATOM 1289 CA THR A 334 -0.549 -3.815 -7.195 1.00 0.26 C ATOM 1290 C THR A 334 0.496 -4.351 -6.220 1.00 0.26 C ATOM 1291 O THR A 334 1.565 -3.755 -6.044 1.00 0.28 O ATOM 1292 CB THR A 334 0.134 -3.313 -8.480 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.760 -2.455 -9.202 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.556 -4.472 -9.368 1.00 0.42 C ATOM 0 H THR A 334 -0.788 -1.864 -6.489 1.00 0.24 H new ATOM 0 HA THR A 334 -1.240 -4.610 -7.476 1.00 0.26 H new ATOM 0 HB THR A 334 1.027 -2.758 -8.194 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.680 -1.539 -8.863 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.035 -4.085 -10.267 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.257 -5.108 -8.828 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.322 -5.055 -9.647 1.00 0.42 H new ATOM 1302 N VAL A 335 0.172 -5.461 -5.575 1.00 0.26 N ATOM 1303 CA VAL A 335 1.056 -6.056 -4.582 1.00 0.28 C ATOM 1304 C VAL A 335 1.849 -7.236 -5.138 1.00 0.28 C ATOM 1305 O VAL A 335 1.417 -7.913 -6.073 1.00 0.32 O ATOM 1306 CB VAL A 335 0.263 -6.524 -3.341 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.404 -5.341 -2.658 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.770 -7.582 -3.716 1.00 0.31 C ATOM 0 H VAL A 335 -0.700 -5.970 -5.721 1.00 0.26 H new ATOM 0 HA VAL A 335 1.760 -5.274 -4.297 1.00 0.28 H new ATOM 0 HB VAL A 335 0.966 -6.976 -2.642 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.958 -5.689 -1.786 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.357 -4.626 -2.343 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -1.089 -4.858 -3.354 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.313 -7.893 -2.823 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.470 -7.166 -4.440 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.266 -8.444 -4.153 1.00 0.31 H new ATOM 1318 N ALA A 336 3.016 -7.461 -4.557 1.00 0.28 N ATOM 1319 CA ALA A 336 3.878 -8.558 -4.952 1.00 0.31 C ATOM 1320 C ALA A 336 3.903 -9.619 -3.862 1.00 0.33 C ATOM 1321 O ALA A 336 4.467 -9.406 -2.785 1.00 0.38 O ATOM 1322 CB ALA A 336 5.284 -8.055 -5.236 1.00 0.34 C ATOM 0 H ALA A 336 3.390 -6.889 -3.800 1.00 0.28 H new ATOM 0 HA ALA A 336 3.483 -9.002 -5.866 1.00 0.31 H new ATOM 0 HB1 ALA A 336 5.917 -8.892 -5.531 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.252 -7.322 -6.042 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.692 -7.590 -4.339 1.00 0.34 H new ATOM 1328 N LYS A 337 3.268 -10.746 -4.132 1.00 0.36 N ATOM 1329 CA LYS A 337 3.215 -11.836 -3.177 1.00 0.40 C ATOM 1330 C LYS A 337 4.162 -12.942 -3.608 1.00 0.47 C ATOM 1331 O LYS A 337 4.632 -12.896 -4.762 1.00 0.60 O ATOM 1332 CB LYS A 337 1.791 -12.380 -3.071 1.00 0.41 C ATOM 1333 CG LYS A 337 0.737 -11.297 -2.905 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.672 -11.873 -2.901 1.00 0.41 C ATOM 1335 CE LYS A 337 -0.900 -12.798 -1.715 1.00 0.39 C ATOM 1336 NZ LYS A 337 -0.950 -12.054 -0.432 1.00 0.38 N ATOM 1337 OXT LYS A 337 4.428 -13.854 -2.805 1.00 0.70 O ATOM 0 H LYS A 337 2.780 -10.929 -5.009 1.00 0.36 H new ATOM 0 HA LYS A 337 3.519 -11.463 -2.199 1.00 0.40 H new ATOM 0 HB2 LYS A 337 1.565 -12.961 -3.965 1.00 0.41 H new ATOM 0 HB3 LYS A 337 1.734 -13.064 -2.224 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.912 -10.760 -1.973 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.831 -10.572 -3.714 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.397 -11.060 -2.873 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -0.844 -12.421 -3.828 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -1.833 -13.343 -1.855 1.00 0.39 H new ATOM 0 HE3 LYS A 337 -0.101 -13.539 -1.674 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.240 -12.698 0.332 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 -0.009 -11.666 -0.219 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.636 -11.276 -0.508 1.00 0.38 H new TER 1351 LYS A 337 HETATM 1352 C1 PHQ B 1 1.836 4.315 7.921 1.00 0.19 C HETATM 1353 O1 PHQ B 1 1.785 3.098 8.135 1.00 0.22 O HETATM 1354 O2 PHQ B 1 3.181 5.005 7.723 1.00 0.26 O HETATM 1355 C2 PHQ B 1 4.234 4.011 7.254 1.00 0.31 C HETATM 1356 C3 PHQ B 1 5.635 4.577 7.202 1.00 0.38 C HETATM 1357 C4 PHQ B 1 6.740 3.710 7.219 1.00 1.30 C HETATM 1358 C5 PHQ B 1 8.027 4.210 6.956 1.00 1.42 C HETATM 1359 C6 PHQ B 1 8.218 5.590 6.761 1.00 0.84 C HETATM 1360 C7 PHQ B 1 7.123 6.470 6.850 1.00 1.38 C HETATM 1361 C8 PHQ B 1 5.840 5.965 7.133 1.00 1.29 C HETATM 0 H81 PHQ B 1 5.008 6.649 7.298 1.00 1.29 H new HETATM 0 H71 PHQ B 1 7.268 7.540 6.700 1.00 1.38 H new HETATM 0 H61 PHQ B 1 9.213 5.977 6.541 1.00 0.84 H new HETATM 0 H51 PHQ B 1 8.876 3.529 6.903 1.00 1.42 H new HETATM 0 H41 PHQ B 1 6.600 2.651 7.436 1.00 1.30 H new HETATM 0 H22 PHQ B 1 4.226 3.148 7.920 1.00 0.31 H new HETATM 0 H21 PHQ B 1 3.962 3.650 6.262 1.00 0.31 H new ATOM 1369 N TRP B 2 0.718 5.028 7.855 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.602 4.429 8.040 1.00 0.13 C ATOM 1371 C TRP B 2 -1.611 5.057 7.091 1.00 0.14 C ATOM 1372 O TRP B 2 -1.624 6.277 6.910 1.00 0.23 O ATOM 1373 CB TRP B 2 -1.099 4.632 9.475 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.603 3.616 10.457 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.576 3.644 11.143 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -1.286 2.430 10.882 1.00 0.24 C ATOM 1377 NE1 TRP B 2 0.672 2.546 11.960 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.454 1.785 11.818 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.515 1.847 10.562 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.814 0.592 12.437 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.867 0.662 11.175 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -2.019 0.045 12.102 1.00 0.39 C ATOM 0 HA TRP B 2 -0.508 3.363 7.832 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.796 5.623 9.813 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -2.189 4.615 9.474 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.325 4.418 11.056 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.458 2.332 12.575 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -3.177 2.315 9.848 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 -0.164 0.116 13.156 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.814 0.202 10.935 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.324 -0.883 12.562 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.446 4.227 6.480 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.482 4.706 5.576 1.00 0.11 C ATOM 1395 C VAL B 3 -4.661 3.756 5.602 1.00 0.14 C ATOM 1396 O VAL B 3 -5.803 4.206 5.369 1.00 0.24 O ATOM 1397 CB VAL B 3 -3.010 4.879 4.113 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.739 6.338 3.815 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.783 4.036 3.794 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.440 2.564 5.882 1.00 0.27 O ATOM 0 H VAL B 3 -2.425 3.214 6.595 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.761 5.696 5.937 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.818 4.525 3.472 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.408 6.443 2.782 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.651 6.915 3.964 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -1.962 6.708 4.484 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.493 4.194 2.755 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.961 4.327 4.449 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.015 2.982 3.950 1.00 0.11 H new TER 1410 VAL B 3