USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 305 ASN : amide:sc= 0.115 K(o=-0.57,f=-6.8!) USER MOD Set 1.2: A 332 SER OG : rot 180:sc= -0.687 USER MOD Set 2.1: A 265 SER OG : rot -102:sc= 2.18 USER MOD Set 2.2: A 282 SER OG : rot 58:sc= 1.23 USER MOD Set 3.1: A 251 THR OG1 : rot -90:sc= 0.967 USER MOD Set 3.2: A 334 THR OG1 : rot 180:sc= 0.887 USER MOD Single : A 248 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= 0.631 K(o=0.63,f=-3.2!) USER MOD Single : A 256 MET CE :methyl -170:sc= 0 (180deg=-0.0977) USER MOD Single : A 259 HIS : no HE2:sc= -0.104 K(o=-0.1,f=-0.74) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 269 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 279 TYR OH : rot -107:sc=0.000971 USER MOD Single : A 284 MET CE :methyl 137:sc= -0.101 (180deg=-0.865) USER MOD Single : A 285 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0402) USER MOD Single : A 300 MET CE :methyl 133:sc= -0.0072 (180deg=-0.256) USER MOD Single : A 303 GLN : amide:sc= -2.55! C(o=-2.5!,f=-6.9!) USER MOD Single : A 308 ASN : amide:sc= -0.732 K(o=-0.73,f=-5.6!) USER MOD Single : A 311 ASN : amide:sc= -0.0564 K(o=-0.056,f=-1.2!) USER MOD Single : A 312 MET CE :methyl 145:sc= -0.292 (180deg=-1.08) USER MOD Single : A 313 SER OG : rot -126:sc= 1.78 USER MOD Single : A 314 ASN : amide:sc= 0.41 K(o=0.41,f=-0.87) USER MOD Single : A 326 SER OG : rot 98:sc= 1.27 USER MOD Single : A 327 GLN : amide:sc= 1.19 K(o=1.2,f=-0.049) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 337 LYS NZ :NH3+ 177:sc= 3.18 (180deg=3.06) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 4.246 -14.108 -6.826 1.00 0.52 N ATOM 2 CA ASN A 248 2.907 -13.996 -7.439 1.00 0.49 C ATOM 3 C ASN A 248 2.396 -12.566 -7.333 1.00 0.44 C ATOM 4 O ASN A 248 1.895 -12.148 -6.290 1.00 0.47 O ATOM 5 CB ASN A 248 1.928 -14.956 -6.760 1.00 0.57 C ATOM 6 CG ASN A 248 0.730 -15.270 -7.633 1.00 0.70 C ATOM 7 OD1 ASN A 248 -0.268 -14.558 -7.616 1.00 0.99 O ATOM 8 ND2 ASN A 248 0.817 -16.350 -8.396 1.00 1.26 N ATOM 0 HA ASN A 248 2.985 -14.264 -8.493 1.00 0.49 H new ATOM 0 HB2 ASN A 248 2.445 -15.882 -6.510 1.00 0.57 H new ATOM 0 HB3 ASN A 248 1.586 -14.519 -5.822 1.00 0.57 H new ATOM 0 HD21 ASN A 248 0.036 -16.614 -8.997 1.00 1.26 H new ATOM 0 HD22 ASN A 248 1.665 -16.917 -8.382 1.00 1.26 H new ATOM 17 N ILE A 249 2.562 -11.810 -8.410 1.00 0.45 N ATOM 18 CA ILE A 249 2.118 -10.421 -8.454 1.00 0.43 C ATOM 19 C ILE A 249 0.608 -10.343 -8.657 1.00 0.42 C ATOM 20 O ILE A 249 0.079 -10.857 -9.648 1.00 0.50 O ATOM 21 CB ILE A 249 2.829 -9.646 -9.583 1.00 0.47 C ATOM 22 CG1 ILE A 249 4.346 -9.712 -9.398 1.00 0.54 C ATOM 23 CG2 ILE A 249 2.359 -8.198 -9.614 1.00 0.50 C ATOM 24 CD1 ILE A 249 5.125 -9.292 -10.624 1.00 0.65 C ATOM 0 H ILE A 249 3.003 -12.136 -9.270 1.00 0.45 H new ATOM 0 HA ILE A 249 2.375 -9.964 -7.498 1.00 0.43 H new ATOM 0 HB ILE A 249 2.575 -10.110 -10.536 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.630 -9.073 -8.561 1.00 0.54 H new ATOM 0 HG13 ILE A 249 4.627 -10.731 -9.131 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.871 -7.666 -10.416 1.00 0.50 H new ATOM 0 HG22 ILE A 249 1.283 -8.168 -9.788 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.586 -7.721 -8.660 1.00 0.50 H new ATOM 0 HD11 ILE A 249 6.193 -9.364 -10.419 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.871 -9.946 -11.458 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.873 -8.263 -10.880 1.00 0.65 H new ATOM 36 N ILE A 250 -0.082 -9.707 -7.721 1.00 0.39 N ATOM 37 CA ILE A 250 -1.530 -9.575 -7.798 1.00 0.41 C ATOM 38 C ILE A 250 -1.961 -8.120 -7.641 1.00 0.37 C ATOM 39 O ILE A 250 -1.563 -7.444 -6.690 1.00 0.36 O ATOM 40 CB ILE A 250 -2.232 -10.425 -6.708 1.00 0.44 C ATOM 41 CG1 ILE A 250 -1.838 -11.901 -6.839 1.00 0.48 C ATOM 42 CG2 ILE A 250 -3.744 -10.269 -6.790 1.00 0.55 C ATOM 43 CD1 ILE A 250 -2.542 -12.810 -5.852 1.00 0.54 C ATOM 0 H ILE A 250 0.338 -9.274 -6.899 1.00 0.39 H new ATOM 0 HA ILE A 250 -1.827 -9.936 -8.783 1.00 0.41 H new ATOM 0 HB ILE A 250 -1.904 -10.064 -5.733 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -2.059 -12.238 -7.852 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -0.761 -11.994 -6.700 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.215 -10.875 -6.016 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.010 -9.222 -6.644 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.091 -10.598 -7.769 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.213 -13.838 -6.005 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.301 -12.499 -4.835 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -3.619 -12.748 -6.005 1.00 0.54 H new ATOM 55 N THR A 251 -2.752 -7.634 -8.586 1.00 0.40 N ATOM 56 CA THR A 251 -3.266 -6.276 -8.529 1.00 0.39 C ATOM 57 C THR A 251 -4.726 -6.312 -8.098 1.00 0.40 C ATOM 58 O THR A 251 -5.563 -6.922 -8.765 1.00 0.48 O ATOM 59 CB THR A 251 -3.144 -5.560 -9.889 1.00 0.46 C ATOM 60 OG1 THR A 251 -1.770 -5.522 -10.302 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.697 -4.144 -9.809 1.00 0.47 C ATOM 0 H THR A 251 -3.052 -8.164 -9.404 1.00 0.40 H new ATOM 0 HA THR A 251 -2.671 -5.717 -7.807 1.00 0.39 H new ATOM 0 HB THR A 251 -3.727 -6.118 -10.622 1.00 0.46 H new ATOM 0 HG1 THR A 251 -1.350 -4.702 -9.967 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.600 -3.660 -10.781 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.749 -4.180 -9.525 1.00 0.47 H new ATOM 0 HG23 THR A 251 -3.139 -3.577 -9.064 1.00 0.47 H new ATOM 69 N VAL A 252 -5.023 -5.687 -6.972 1.00 0.36 N ATOM 70 CA VAL A 252 -6.377 -5.673 -6.452 1.00 0.38 C ATOM 71 C VAL A 252 -6.978 -4.274 -6.504 1.00 0.35 C ATOM 72 O VAL A 252 -6.280 -3.273 -6.319 1.00 0.39 O ATOM 73 CB VAL A 252 -6.429 -6.198 -4.995 1.00 0.41 C ATOM 74 CG1 VAL A 252 -5.722 -7.539 -4.883 1.00 0.50 C ATOM 75 CG2 VAL A 252 -5.816 -5.198 -4.024 1.00 0.40 C ATOM 0 H VAL A 252 -4.344 -5.183 -6.401 1.00 0.36 H new ATOM 0 HA VAL A 252 -6.964 -6.335 -7.088 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.478 -6.330 -4.729 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -5.770 -7.890 -3.852 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.209 -8.263 -5.536 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -4.679 -7.427 -5.180 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -5.868 -5.596 -3.011 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -4.774 -5.023 -4.292 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.367 -4.259 -4.073 1.00 0.40 H new ATOM 85 N THR A 253 -8.266 -4.206 -6.793 1.00 0.39 N ATOM 86 CA THR A 253 -8.967 -2.941 -6.825 1.00 0.40 C ATOM 87 C THR A 253 -9.753 -2.804 -5.527 1.00 0.39 C ATOM 88 O THR A 253 -10.326 -3.781 -5.037 1.00 0.54 O ATOM 89 CB THR A 253 -9.901 -2.823 -8.060 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.218 -1.448 -8.311 1.00 0.76 O ATOM 91 CG2 THR A 253 -11.190 -3.613 -7.874 1.00 0.79 C ATOM 0 H THR A 253 -8.846 -5.017 -7.009 1.00 0.39 H new ATOM 0 HA THR A 253 -8.243 -2.131 -6.915 1.00 0.40 H new ATOM 0 HB THR A 253 -9.366 -3.242 -8.912 1.00 0.50 H new ATOM 0 HG1 THR A 253 -10.806 -1.385 -9.093 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.815 -3.504 -8.760 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.953 -4.666 -7.725 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.726 -3.235 -7.003 1.00 0.79 H new ATOM 99 N LEU A 254 -9.741 -1.624 -4.940 1.00 0.33 N ATOM 100 CA LEU A 254 -10.449 -1.409 -3.690 1.00 0.35 C ATOM 101 C LEU A 254 -11.526 -0.348 -3.831 1.00 0.35 C ATOM 102 O LEU A 254 -11.283 0.742 -4.360 1.00 0.37 O ATOM 103 CB LEU A 254 -9.470 -1.026 -2.582 1.00 0.36 C ATOM 104 CG LEU A 254 -8.466 -2.118 -2.198 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.540 -1.629 -1.100 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.189 -3.381 -1.756 1.00 0.45 C ATOM 0 H LEU A 254 -9.254 -0.805 -5.303 1.00 0.33 H new ATOM 0 HA LEU A 254 -10.939 -2.346 -3.424 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -8.918 -0.140 -2.896 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.039 -0.749 -1.695 1.00 0.36 H new ATOM 0 HG LEU A 254 -7.867 -2.354 -3.078 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -6.834 -2.418 -0.841 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -6.993 -0.753 -1.449 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.127 -1.364 -0.221 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.458 -4.144 -1.488 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -9.815 -3.158 -0.892 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -9.813 -3.747 -2.571 1.00 0.45 H new ATOM 118 N ASN A 255 -12.715 -0.678 -3.353 1.00 0.40 N ATOM 119 CA ASN A 255 -13.848 0.231 -3.405 1.00 0.44 C ATOM 120 C ASN A 255 -13.760 1.251 -2.280 1.00 0.40 C ATOM 121 O ASN A 255 -13.962 0.925 -1.106 1.00 0.39 O ATOM 122 CB ASN A 255 -15.158 -0.554 -3.308 1.00 0.50 C ATOM 123 CG ASN A 255 -16.376 0.343 -3.202 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.802 0.709 -2.103 1.00 0.52 O ATOM 125 ND2 ASN A 255 -16.941 0.708 -4.338 1.00 0.65 N ATOM 0 H ASN A 255 -12.921 -1.578 -2.920 1.00 0.40 H new ATOM 0 HA ASN A 255 -13.827 0.762 -4.357 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.259 -1.193 -4.185 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.119 -1.210 -2.438 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.761 1.315 -4.328 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.558 0.383 -5.226 1.00 0.65 H new ATOM 132 N MET A 256 -13.459 2.488 -2.645 1.00 0.41 N ATOM 133 CA MET A 256 -13.334 3.566 -1.672 1.00 0.41 C ATOM 134 C MET A 256 -14.631 4.356 -1.564 1.00 0.44 C ATOM 135 O MET A 256 -14.658 5.447 -1.005 1.00 0.49 O ATOM 136 CB MET A 256 -12.179 4.497 -2.044 1.00 0.43 C ATOM 137 CG MET A 256 -10.814 3.854 -1.878 1.00 0.45 C ATOM 138 SD MET A 256 -10.435 3.457 -0.156 1.00 0.56 S ATOM 139 CE MET A 256 -10.070 5.088 0.489 1.00 0.63 C ATOM 0 H MET A 256 -13.296 2.772 -3.611 1.00 0.41 H new ATOM 0 HA MET A 256 -13.123 3.117 -0.701 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.299 4.818 -3.079 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.229 5.393 -1.425 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.771 2.943 -2.475 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.050 4.527 -2.268 1.00 0.45 H new ATOM 0 HE1 MET A 256 -9.647 4.997 1.489 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.353 5.586 -0.164 1.00 0.63 H new ATOM 0 HE3 MET A 256 -10.987 5.675 0.535 1.00 0.63 H new ATOM 149 N GLU A 257 -15.705 3.801 -2.109 1.00 0.46 N ATOM 150 CA GLU A 257 -17.005 4.454 -2.057 1.00 0.51 C ATOM 151 C GLU A 257 -17.705 4.115 -0.746 1.00 0.49 C ATOM 152 O GLU A 257 -18.342 4.965 -0.127 1.00 0.56 O ATOM 153 CB GLU A 257 -17.868 4.028 -3.247 1.00 0.56 C ATOM 154 CG GLU A 257 -17.182 4.203 -4.595 1.00 0.67 C ATOM 155 CD GLU A 257 -16.814 5.644 -4.892 1.00 0.86 C ATOM 156 OE1 GLU A 257 -17.412 6.558 -4.288 1.00 1.23 O ATOM 157 OE2 GLU A 257 -15.936 5.872 -5.746 1.00 1.27 O ATOM 0 H GLU A 257 -15.702 2.902 -2.591 1.00 0.46 H new ATOM 0 HA GLU A 257 -16.857 5.533 -2.110 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -18.148 2.982 -3.125 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -18.791 4.608 -3.241 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.280 3.591 -4.619 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -17.839 3.833 -5.381 1.00 0.67 H new ATOM 164 N ARG A 258 -17.588 2.857 -0.334 1.00 0.45 N ATOM 165 CA ARG A 258 -18.187 2.395 0.915 1.00 0.45 C ATOM 166 C ARG A 258 -17.164 2.483 2.046 1.00 0.43 C ATOM 167 O ARG A 258 -17.510 2.461 3.229 1.00 0.63 O ATOM 168 CB ARG A 258 -18.691 0.953 0.762 1.00 0.48 C ATOM 169 CG ARG A 258 -19.388 0.399 1.996 1.00 0.56 C ATOM 170 CD ARG A 258 -19.668 -1.089 1.858 1.00 0.64 C ATOM 171 NE ARG A 258 -19.899 -1.723 3.156 1.00 0.75 N ATOM 172 CZ ARG A 258 -19.473 -2.944 3.477 1.00 0.86 C ATOM 173 NH1 ARG A 258 -18.822 -3.680 2.588 1.00 1.01 N ATOM 174 NH2 ARG A 258 -19.705 -3.433 4.687 1.00 1.06 N ATOM 0 H ARG A 258 -17.082 2.136 -0.848 1.00 0.45 H new ATOM 0 HA ARG A 258 -19.036 3.034 1.158 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.381 0.909 -0.081 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.846 0.309 0.517 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.767 0.573 2.875 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -20.325 0.933 2.157 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -20.540 -1.237 1.221 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -18.826 -1.572 1.362 1.00 0.64 H new ATOM 0 HE ARG A 258 -20.419 -1.198 3.859 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -18.645 -3.312 1.653 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -18.498 -4.614 2.839 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -20.211 -2.874 5.375 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -19.378 -4.368 4.931 1.00 1.06 H new ATOM 188 N HIS A 259 -15.898 2.596 1.669 1.00 0.37 N ATOM 189 CA HIS A 259 -14.813 2.686 2.638 1.00 0.35 C ATOM 190 C HIS A 259 -14.250 4.099 2.663 1.00 0.40 C ATOM 191 O HIS A 259 -14.473 4.871 1.737 1.00 0.63 O ATOM 192 CB HIS A 259 -13.713 1.675 2.310 1.00 0.38 C ATOM 193 CG HIS A 259 -14.111 0.265 2.613 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.225 -0.712 1.648 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.443 -0.329 3.785 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.614 -1.840 2.212 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.753 -1.635 3.508 1.00 0.75 N ATOM 0 H HIS A 259 -15.596 2.628 0.695 1.00 0.37 H new ATOM 0 HA HIS A 259 -15.208 2.450 3.626 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.455 1.756 1.254 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.816 1.924 2.877 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -14.038 -0.584 0.654 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.460 0.140 4.758 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -14.789 -2.774 1.699 1.00 0.76 H new ATOM 206 N HIS A 260 -13.539 4.444 3.725 1.00 0.36 N ATOM 207 CA HIS A 260 -12.969 5.782 3.841 1.00 0.42 C ATOM 208 C HIS A 260 -11.464 5.730 4.075 1.00 0.35 C ATOM 209 O HIS A 260 -10.811 6.769 4.183 1.00 0.42 O ATOM 210 CB HIS A 260 -13.646 6.558 4.974 1.00 0.56 C ATOM 211 CG HIS A 260 -15.098 6.829 4.740 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.578 7.432 3.599 1.00 0.97 N ATOM 213 CD2 HIS A 260 -16.179 6.571 5.512 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.892 7.533 3.677 1.00 1.09 C ATOM 215 NE2 HIS A 260 -17.280 7.021 4.830 1.00 1.01 N ATOM 0 H HIS A 260 -13.343 3.826 4.512 1.00 0.36 H new ATOM 0 HA HIS A 260 -13.148 6.297 2.897 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.536 5.997 5.902 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -13.127 7.507 5.112 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.175 6.099 6.483 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -17.539 7.961 2.926 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -18.244 6.969 5.160 1.00 1.01 H new ATOM 224 N PHE A 261 -10.916 4.523 4.150 1.00 0.30 N ATOM 225 CA PHE A 261 -9.487 4.351 4.370 1.00 0.25 C ATOM 226 C PHE A 261 -9.032 2.966 3.930 1.00 0.21 C ATOM 227 O PHE A 261 -9.854 2.061 3.744 1.00 0.22 O ATOM 228 CB PHE A 261 -9.116 4.592 5.845 1.00 0.28 C ATOM 229 CG PHE A 261 -9.885 3.758 6.838 1.00 0.32 C ATOM 230 CD1 PHE A 261 -11.121 4.177 7.304 1.00 0.52 C ATOM 231 CD2 PHE A 261 -9.362 2.565 7.316 1.00 0.36 C ATOM 232 CE1 PHE A 261 -11.823 3.423 8.222 1.00 0.62 C ATOM 233 CE2 PHE A 261 -10.061 1.808 8.237 1.00 0.44 C ATOM 234 CZ PHE A 261 -11.293 2.236 8.689 1.00 0.52 C ATOM 0 H PHE A 261 -11.439 3.652 4.062 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.970 5.095 3.764 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -8.052 4.394 5.974 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.275 5.645 6.077 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.540 5.105 6.944 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -8.399 2.225 6.965 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -12.786 3.761 8.575 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -9.643 0.882 8.603 1.00 0.44 H new ATOM 0 HZ PHE A 261 -11.842 1.644 9.407 1.00 0.52 H new ATOM 244 N LEU A 262 -7.724 2.809 3.774 1.00 0.17 N ATOM 245 CA LEU A 262 -7.142 1.545 3.352 1.00 0.14 C ATOM 246 C LEU A 262 -7.110 0.579 4.524 1.00 0.12 C ATOM 247 O LEU A 262 -7.554 -0.570 4.412 1.00 0.14 O ATOM 248 CB LEU A 262 -5.726 1.768 2.795 1.00 0.14 C ATOM 249 CG LEU A 262 -5.648 2.193 1.322 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.266 1.891 0.763 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.721 1.494 0.498 1.00 0.34 C ATOM 0 H LEU A 262 -7.042 3.550 3.936 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.756 1.116 2.560 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.234 2.529 3.400 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.158 0.846 2.918 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.824 3.267 1.263 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.222 2.196 -0.282 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.515 2.438 1.333 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -4.069 0.821 0.837 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.645 1.811 -0.542 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.581 0.415 0.559 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.706 1.755 0.886 1.00 0.34 H new ATOM 263 N GLY A 263 -6.603 1.058 5.648 1.00 0.11 N ATOM 264 CA GLY A 263 -6.528 0.243 6.838 1.00 0.12 C ATOM 265 C GLY A 263 -5.332 -0.681 6.827 1.00 0.11 C ATOM 266 O GLY A 263 -5.471 -1.881 7.055 1.00 0.14 O ATOM 0 H GLY A 263 -6.240 2.005 5.756 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.477 0.888 7.715 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.440 -0.348 6.929 1.00 0.12 H new ATOM 270 N ILE A 264 -4.155 -0.128 6.566 1.00 0.09 N ATOM 271 CA ILE A 264 -2.935 -0.925 6.528 1.00 0.09 C ATOM 272 C ILE A 264 -1.734 -0.144 7.044 1.00 0.08 C ATOM 273 O ILE A 264 -1.644 1.077 6.890 1.00 0.11 O ATOM 274 CB ILE A 264 -2.603 -1.430 5.105 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.931 -0.364 4.055 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.344 -2.725 4.808 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.359 -0.663 2.687 1.00 0.18 C ATOM 0 H ILE A 264 -4.019 0.865 6.378 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.129 -1.780 7.176 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.533 -1.630 5.059 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -4.014 -0.268 3.973 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.550 0.599 4.396 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.096 -3.063 3.802 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.049 -3.487 5.530 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.418 -2.554 4.879 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.632 0.135 1.996 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.273 -0.730 2.753 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.759 -1.610 2.324 1.00 0.18 H new ATOM 289 N SER A 265 -0.825 -0.867 7.674 1.00 0.09 N ATOM 290 CA SER A 265 0.399 -0.288 8.196 1.00 0.12 C ATOM 291 C SER A 265 1.522 -0.540 7.202 1.00 0.11 C ATOM 292 O SER A 265 1.816 -1.690 6.878 1.00 0.19 O ATOM 293 CB SER A 265 0.731 -0.921 9.546 1.00 0.20 C ATOM 294 OG SER A 265 -0.379 -1.659 10.036 1.00 1.00 O ATOM 0 H SER A 265 -0.915 -1.870 7.838 1.00 0.09 H new ATOM 0 HA SER A 265 0.276 0.786 8.338 1.00 0.12 H new ATOM 0 HB2 SER A 265 1.595 -1.578 9.444 1.00 0.20 H new ATOM 0 HB3 SER A 265 1.003 -0.145 10.261 1.00 0.20 H new ATOM 0 HG SER A 265 -0.838 -1.138 10.728 1.00 1.00 H new ATOM 300 N ILE A 266 2.132 0.515 6.697 1.00 0.10 N ATOM 301 CA ILE A 266 3.203 0.357 5.726 1.00 0.11 C ATOM 302 C ILE A 266 4.547 0.213 6.430 1.00 0.13 C ATOM 303 O ILE A 266 4.899 1.024 7.281 1.00 0.28 O ATOM 304 CB ILE A 266 3.264 1.538 4.731 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.853 1.993 4.332 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.062 1.148 3.495 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.016 0.902 3.701 1.00 0.16 C ATOM 0 H ILE A 266 1.910 1.481 6.938 1.00 0.10 H new ATOM 0 HA ILE A 266 2.988 -0.549 5.160 1.00 0.11 H new ATOM 0 HB ILE A 266 3.764 2.372 5.224 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.338 2.367 5.217 1.00 0.14 H new ATOM 0 HG13 ILE A 266 1.934 2.826 3.634 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.096 1.990 2.803 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.077 0.877 3.787 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.586 0.297 3.008 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.033 1.299 3.446 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.508 0.543 2.797 1.00 0.16 H new ATOM 0 HD13 ILE A 266 0.903 0.077 4.405 1.00 0.16 H new ATOM 319 N VAL A 267 5.277 -0.833 6.090 1.00 0.12 N ATOM 320 CA VAL A 267 6.578 -1.083 6.684 1.00 0.14 C ATOM 321 C VAL A 267 7.690 -0.783 5.690 1.00 0.14 C ATOM 322 O VAL A 267 7.797 -1.433 4.650 1.00 0.23 O ATOM 323 CB VAL A 267 6.704 -2.545 7.169 1.00 0.24 C ATOM 324 CG1 VAL A 267 8.140 -2.876 7.553 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.770 -2.792 8.341 1.00 0.31 C ATOM 0 H VAL A 267 4.989 -1.528 5.401 1.00 0.12 H new ATOM 0 HA VAL A 267 6.674 -0.420 7.544 1.00 0.14 H new ATOM 0 HB VAL A 267 6.418 -3.201 6.346 1.00 0.24 H new ATOM 0 HG11 VAL A 267 8.197 -3.911 7.890 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.789 -2.740 6.688 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.463 -2.214 8.357 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.868 -3.825 8.673 1.00 0.31 H new ATOM 0 HG22 VAL A 267 6.029 -2.121 9.160 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.741 -2.607 8.032 1.00 0.31 H new ATOM 335 N GLY A 268 8.500 0.209 6.005 1.00 0.17 N ATOM 336 CA GLY A 268 9.599 0.568 5.141 1.00 0.23 C ATOM 337 C GLY A 268 10.892 -0.053 5.615 1.00 0.23 C ATOM 338 O GLY A 268 11.405 0.308 6.677 1.00 0.37 O ATOM 0 H GLY A 268 8.416 0.776 6.849 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.387 0.240 4.123 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.703 1.653 5.112 1.00 0.23 H new ATOM 342 N GLN A 269 11.414 -0.998 4.848 1.00 0.27 N ATOM 343 CA GLN A 269 12.651 -1.673 5.210 1.00 0.34 C ATOM 344 C GLN A 269 13.849 -0.776 4.909 1.00 0.38 C ATOM 345 O GLN A 269 14.303 -0.682 3.766 1.00 0.50 O ATOM 346 CB GLN A 269 12.766 -2.999 4.459 1.00 0.49 C ATOM 347 CG GLN A 269 13.526 -4.073 5.224 1.00 0.67 C ATOM 348 CD GLN A 269 15.021 -4.020 4.983 1.00 1.19 C ATOM 349 OE1 GLN A 269 15.754 -3.337 5.698 1.00 1.81 O ATOM 350 NE2 GLN A 269 15.480 -4.744 3.977 1.00 1.87 N ATOM 0 H GLN A 269 11.000 -1.315 3.971 1.00 0.27 H new ATOM 0 HA GLN A 269 12.640 -1.883 6.280 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.765 -3.366 4.233 1.00 0.49 H new ATOM 0 HB3 GLN A 269 13.264 -2.824 3.505 1.00 0.49 H new ATOM 0 HG2 GLN A 269 13.330 -3.960 6.290 1.00 0.67 H new ATOM 0 HG3 GLN A 269 13.150 -5.054 4.933 1.00 0.67 H new ATOM 0 HE21 GLN A 269 14.836 -5.296 3.410 1.00 1.87 H new ATOM 0 HE22 GLN A 269 16.478 -4.751 3.768 1.00 1.87 H new ATOM 446 N GLY A 277 12.221 -1.552 0.321 1.00 0.30 N ATOM 447 CA GLY A 277 10.866 -1.724 -0.158 1.00 0.29 C ATOM 448 C GLY A 277 9.841 -1.555 0.942 1.00 0.24 C ATOM 449 O GLY A 277 10.171 -1.639 2.129 1.00 0.27 O ATOM 0 HA2 GLY A 277 10.669 -1.001 -0.949 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.762 -2.715 -0.599 1.00 0.29 H new ATOM 453 N ILE A 278 8.598 -1.310 0.554 1.00 0.21 N ATOM 454 CA ILE A 278 7.523 -1.137 1.517 1.00 0.19 C ATOM 455 C ILE A 278 6.634 -2.377 1.558 1.00 0.18 C ATOM 456 O ILE A 278 6.094 -2.815 0.537 1.00 0.23 O ATOM 457 CB ILE A 278 6.670 0.117 1.219 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.283 0.176 -0.261 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.429 1.373 1.624 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.245 1.233 -0.574 1.00 0.27 C ATOM 0 H ILE A 278 8.310 -1.227 -0.421 1.00 0.21 H new ATOM 0 HA ILE A 278 7.988 -0.996 2.493 1.00 0.19 H new ATOM 0 HB ILE A 278 5.752 0.057 1.804 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.177 0.369 -0.854 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.902 -0.798 -0.567 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.820 2.251 1.410 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.651 1.336 2.691 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.361 1.432 1.062 1.00 0.23 H new ATOM 0 HD11 ILE A 278 5.020 1.217 -1.640 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.336 1.029 -0.008 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.631 2.215 -0.299 1.00 0.27 H new ATOM 472 N TYR A 279 6.503 -2.947 2.743 1.00 0.15 N ATOM 473 CA TYR A 279 5.701 -4.144 2.939 1.00 0.16 C ATOM 474 C TYR A 279 4.481 -3.839 3.794 1.00 0.15 C ATOM 475 O TYR A 279 4.453 -2.840 4.512 1.00 0.18 O ATOM 476 CB TYR A 279 6.527 -5.243 3.617 1.00 0.19 C ATOM 477 CG TYR A 279 7.782 -5.633 2.869 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.953 -4.903 3.008 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.795 -6.740 2.033 1.00 0.44 C ATOM 480 CE1 TYR A 279 10.102 -5.262 2.332 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.940 -7.106 1.353 1.00 0.57 C ATOM 482 CZ TYR A 279 10.090 -6.364 1.506 1.00 0.55 C ATOM 483 OH TYR A 279 11.233 -6.726 0.828 1.00 0.72 O ATOM 0 H TYR A 279 6.946 -2.597 3.592 1.00 0.15 H new ATOM 0 HA TYR A 279 5.376 -4.490 1.958 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.804 -4.908 4.617 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.902 -6.127 3.739 1.00 0.19 H new ATOM 0 HD1 TYR A 279 8.966 -4.039 3.656 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.895 -7.325 1.912 1.00 0.44 H new ATOM 0 HE1 TYR A 279 11.005 -4.682 2.450 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.934 -7.970 0.705 1.00 0.57 H new ATOM 0 HH TYR A 279 11.133 -6.508 -0.122 1.00 0.72 H new ATOM 493 N ILE A 280 3.474 -4.692 3.705 1.00 0.16 N ATOM 494 CA ILE A 280 2.266 -4.533 4.497 1.00 0.16 C ATOM 495 C ILE A 280 2.493 -5.115 5.889 1.00 0.17 C ATOM 496 O ILE A 280 2.589 -6.329 6.049 1.00 0.21 O ATOM 497 CB ILE A 280 1.055 -5.235 3.840 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.840 -4.715 2.411 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.205 -5.038 4.680 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.543 -3.231 2.338 1.00 0.24 C ATOM 0 H ILE A 280 3.470 -5.505 3.089 1.00 0.16 H new ATOM 0 HA ILE A 280 2.044 -3.468 4.562 1.00 0.16 H new ATOM 0 HB ILE A 280 1.266 -6.303 3.788 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.731 -4.927 1.819 1.00 0.21 H new ATOM 0 HG13 ILE A 280 0.016 -5.264 1.955 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.045 -5.540 4.199 1.00 0.21 H new ATOM 0 HG22 ILE A 280 -0.050 -5.460 5.673 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.421 -3.973 4.768 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.403 -2.939 1.297 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.365 -3.013 2.901 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.376 -2.672 2.763 1.00 0.24 H new ATOM 512 N GLY A 281 2.605 -4.245 6.881 1.00 0.20 N ATOM 513 CA GLY A 281 2.840 -4.688 8.242 1.00 0.23 C ATOM 514 C GLY A 281 1.652 -5.415 8.833 1.00 0.24 C ATOM 515 O GLY A 281 1.762 -6.569 9.243 1.00 0.42 O ATOM 0 H GLY A 281 2.537 -3.234 6.768 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.709 -5.346 8.261 1.00 0.23 H new ATOM 0 HA3 GLY A 281 3.079 -3.826 8.864 1.00 0.23 H new ATOM 519 N SER A 282 0.515 -4.740 8.878 1.00 0.25 N ATOM 520 CA SER A 282 -0.697 -5.327 9.425 1.00 0.29 C ATOM 521 C SER A 282 -1.929 -4.715 8.772 1.00 0.26 C ATOM 522 O SER A 282 -1.875 -3.599 8.248 1.00 0.30 O ATOM 523 CB SER A 282 -0.741 -5.135 10.945 1.00 0.35 C ATOM 524 OG SER A 282 0.050 -4.025 11.354 1.00 0.75 O ATOM 0 H SER A 282 0.406 -3.783 8.542 1.00 0.25 H new ATOM 0 HA SER A 282 -0.692 -6.396 9.211 1.00 0.29 H new ATOM 0 HB2 SER A 282 -1.772 -4.985 11.264 1.00 0.35 H new ATOM 0 HB3 SER A 282 -0.383 -6.039 11.437 1.00 0.35 H new ATOM 0 HG SER A 282 -0.261 -3.216 10.898 1.00 0.75 H new ATOM 530 N ILE A 283 -3.028 -5.454 8.796 1.00 0.24 N ATOM 531 CA ILE A 283 -4.279 -4.993 8.215 1.00 0.23 C ATOM 532 C ILE A 283 -5.262 -4.632 9.320 1.00 0.23 C ATOM 533 O ILE A 283 -5.401 -5.366 10.297 1.00 0.30 O ATOM 534 CB ILE A 283 -4.914 -6.070 7.305 1.00 0.27 C ATOM 535 CG1 ILE A 283 -3.885 -6.596 6.304 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.125 -5.504 6.570 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.351 -7.820 5.549 1.00 0.53 C ATOM 0 H ILE A 283 -3.078 -6.383 9.215 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.057 -4.115 7.608 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.246 -6.898 7.932 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.647 -5.807 5.590 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -2.963 -6.835 6.834 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.559 -6.276 5.935 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -6.868 -5.171 7.295 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -5.815 -4.659 5.955 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.572 -8.139 4.857 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.561 -8.624 6.254 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.256 -7.581 4.991 1.00 0.53 H new ATOM 549 N MET A 284 -5.919 -3.494 9.172 1.00 0.20 N ATOM 550 CA MET A 284 -6.888 -3.032 10.155 1.00 0.21 C ATOM 551 C MET A 284 -8.297 -3.422 9.727 1.00 0.22 C ATOM 552 O MET A 284 -8.726 -3.108 8.612 1.00 0.23 O ATOM 553 CB MET A 284 -6.794 -1.513 10.332 1.00 0.24 C ATOM 554 CG MET A 284 -5.422 -1.021 10.760 1.00 0.35 C ATOM 555 SD MET A 284 -5.045 -1.366 12.492 1.00 0.54 S ATOM 556 CE MET A 284 -4.129 -2.901 12.358 1.00 0.74 C ATOM 0 H MET A 284 -5.799 -2.868 8.375 1.00 0.20 H new ATOM 0 HA MET A 284 -6.663 -3.507 11.110 1.00 0.21 H new ATOM 0 HB2 MET A 284 -7.064 -1.031 9.392 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.528 -1.198 11.074 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.664 -1.488 10.131 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.360 0.054 10.589 1.00 0.35 H new ATOM 0 HE1 MET A 284 -3.263 -2.867 13.020 1.00 0.74 H new ATOM 0 HE2 MET A 284 -4.771 -3.734 12.643 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.794 -3.036 11.329 1.00 0.74 H new ATOM 566 N LYS A 285 -9.005 -4.119 10.606 1.00 0.28 N ATOM 567 CA LYS A 285 -10.363 -4.560 10.327 1.00 0.33 C ATOM 568 C LYS A 285 -11.282 -3.358 10.132 1.00 0.33 C ATOM 569 O LYS A 285 -11.426 -2.524 11.025 1.00 0.46 O ATOM 570 CB LYS A 285 -10.881 -5.436 11.469 1.00 0.43 C ATOM 571 CG LYS A 285 -12.094 -6.274 11.098 1.00 0.49 C ATOM 572 CD LYS A 285 -11.736 -7.385 10.126 1.00 0.63 C ATOM 573 CE LYS A 285 -12.853 -8.407 10.017 1.00 0.83 C ATOM 574 NZ LYS A 285 -14.121 -7.796 9.540 1.00 1.01 N ATOM 0 H LYS A 285 -8.657 -4.392 11.525 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.354 -5.147 9.409 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.080 -6.098 11.798 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.136 -4.799 12.316 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -12.527 -6.706 12.000 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -12.856 -5.634 10.654 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -11.533 -6.959 9.143 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -10.821 -7.878 10.455 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -12.553 -9.201 9.333 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -13.017 -8.870 10.990 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -14.817 -8.545 9.350 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -14.493 -7.154 10.269 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -13.941 -7.261 8.667 1.00 1.01 H new ATOM 588 N GLY A 286 -11.898 -3.274 8.961 1.00 0.33 N ATOM 589 CA GLY A 286 -12.780 -2.165 8.665 1.00 0.35 C ATOM 590 C GLY A 286 -12.275 -1.347 7.496 1.00 0.30 C ATOM 591 O GLY A 286 -12.990 -0.502 6.953 1.00 0.36 O ATOM 0 H GLY A 286 -11.802 -3.957 8.209 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -13.778 -2.543 8.441 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -12.870 -1.527 9.544 1.00 0.35 H new ATOM 595 N GLY A 287 -11.030 -1.597 7.115 1.00 0.26 N ATOM 596 CA GLY A 287 -10.441 -0.885 6.003 1.00 0.24 C ATOM 597 C GLY A 287 -10.795 -1.526 4.680 1.00 0.22 C ATOM 598 O GLY A 287 -11.371 -2.614 4.648 1.00 0.24 O ATOM 0 H GLY A 287 -10.418 -2.282 7.558 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.784 0.149 6.010 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.357 -0.862 6.118 1.00 0.24 H new ATOM 602 N ALA A 288 -10.450 -0.858 3.587 1.00 0.21 N ATOM 603 CA ALA A 288 -10.738 -1.370 2.252 1.00 0.22 C ATOM 604 C ALA A 288 -10.004 -2.684 1.989 1.00 0.22 C ATOM 605 O ALA A 288 -10.533 -3.583 1.330 1.00 0.25 O ATOM 606 CB ALA A 288 -10.368 -0.335 1.200 1.00 0.24 C ATOM 0 H ALA A 288 -9.969 0.042 3.598 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.808 -1.569 2.192 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.588 -0.730 0.208 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -10.946 0.574 1.365 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.305 -0.107 1.272 1.00 0.24 H new ATOM 612 N VAL A 289 -8.794 -2.794 2.527 1.00 0.20 N ATOM 613 CA VAL A 289 -7.973 -3.989 2.355 1.00 0.21 C ATOM 614 C VAL A 289 -8.569 -5.171 3.117 1.00 0.23 C ATOM 615 O VAL A 289 -8.524 -6.314 2.653 1.00 0.26 O ATOM 616 CB VAL A 289 -6.525 -3.745 2.837 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.669 -4.991 2.654 1.00 0.23 C ATOM 618 CG2 VAL A 289 -5.913 -2.555 2.107 1.00 0.20 C ATOM 0 H VAL A 289 -8.357 -2.065 3.090 1.00 0.20 H new ATOM 0 HA VAL A 289 -7.955 -4.221 1.290 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.556 -3.516 3.902 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.655 -4.790 3.001 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.094 -5.812 3.231 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.644 -5.263 1.599 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -4.893 -2.398 2.459 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -5.901 -2.753 1.035 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.507 -1.662 2.304 1.00 0.20 H new ATOM 628 N ALA A 290 -9.162 -4.881 4.271 1.00 0.23 N ATOM 629 CA ALA A 290 -9.762 -5.913 5.113 1.00 0.27 C ATOM 630 C ALA A 290 -11.034 -6.489 4.492 1.00 0.29 C ATOM 631 O ALA A 290 -11.559 -7.501 4.956 1.00 0.37 O ATOM 632 CB ALA A 290 -10.054 -5.350 6.498 1.00 0.29 C ATOM 0 H ALA A 290 -9.240 -3.936 4.647 1.00 0.23 H new ATOM 0 HA ALA A 290 -9.045 -6.730 5.199 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.501 -6.126 7.119 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.125 -5.009 6.955 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.745 -4.511 6.412 1.00 0.29 H new ATOM 638 N ALA A 291 -11.527 -5.842 3.442 1.00 0.29 N ATOM 639 CA ALA A 291 -12.733 -6.295 2.762 1.00 0.32 C ATOM 640 C ALA A 291 -12.385 -7.128 1.531 1.00 0.32 C ATOM 641 O ALA A 291 -13.268 -7.686 0.877 1.00 0.41 O ATOM 642 CB ALA A 291 -13.598 -5.106 2.371 1.00 0.38 C ATOM 0 H ALA A 291 -11.109 -5.001 3.043 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.295 -6.926 3.450 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.495 -5.460 1.864 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.882 -4.552 3.266 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -13.037 -4.452 1.703 1.00 0.38 H new ATOM 648 N ASP A 292 -11.095 -7.207 1.222 1.00 0.31 N ATOM 649 CA ASP A 292 -10.635 -7.975 0.073 1.00 0.32 C ATOM 650 C ASP A 292 -10.206 -9.371 0.515 1.00 0.30 C ATOM 651 O ASP A 292 -10.907 -10.351 0.264 1.00 0.38 O ATOM 652 CB ASP A 292 -9.483 -7.263 -0.638 1.00 0.37 C ATOM 653 CG ASP A 292 -9.152 -7.906 -1.969 1.00 0.43 C ATOM 654 OD1 ASP A 292 -8.314 -8.825 -1.996 1.00 0.45 O ATOM 655 OD2 ASP A 292 -9.737 -7.494 -2.994 1.00 0.55 O ATOM 0 H ASP A 292 -10.352 -6.750 1.750 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.461 -8.065 -0.633 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.746 -6.217 -0.796 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.600 -7.276 0.000 1.00 0.37 H new ATOM 660 N GLY A 293 -9.063 -9.459 1.185 1.00 0.29 N ATOM 661 CA GLY A 293 -8.588 -10.743 1.669 1.00 0.33 C ATOM 662 C GLY A 293 -7.409 -11.304 0.891 1.00 0.33 C ATOM 663 O GLY A 293 -6.791 -12.273 1.327 1.00 0.39 O ATOM 0 H GLY A 293 -8.458 -8.667 1.402 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.303 -10.641 2.716 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.409 -11.459 1.630 1.00 0.33 H new ATOM 667 N ARG A 294 -7.086 -10.720 -0.257 1.00 0.31 N ATOM 668 CA ARG A 294 -5.965 -11.216 -1.050 1.00 0.32 C ATOM 669 C ARG A 294 -4.637 -10.693 -0.518 1.00 0.30 C ATOM 670 O ARG A 294 -3.601 -11.346 -0.657 1.00 0.37 O ATOM 671 CB ARG A 294 -6.134 -10.845 -2.519 1.00 0.35 C ATOM 672 CG ARG A 294 -7.187 -11.678 -3.224 1.00 0.41 C ATOM 673 CD ARG A 294 -7.485 -11.149 -4.615 1.00 0.44 C ATOM 674 NE ARG A 294 -8.189 -9.869 -4.582 1.00 0.43 N ATOM 675 CZ ARG A 294 -8.715 -9.282 -5.657 1.00 0.54 C ATOM 676 NH1 ARG A 294 -8.639 -9.871 -6.848 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.324 -8.112 -5.531 1.00 0.58 N ATOM 0 H ARG A 294 -7.573 -9.917 -0.655 1.00 0.31 H new ATOM 0 HA ARG A 294 -5.957 -12.303 -0.967 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.403 -9.791 -2.593 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.179 -10.967 -3.031 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.847 -12.711 -3.293 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -8.103 -11.683 -2.633 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.551 -11.034 -5.165 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -8.087 -11.878 -5.158 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.284 -9.397 -3.683 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.177 -10.775 -6.941 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -9.043 -9.418 -7.668 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.388 -7.666 -4.616 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -9.729 -7.657 -6.349 1.00 0.58 H new ATOM 691 N ILE A 295 -4.670 -9.517 0.087 1.00 0.26 N ATOM 692 CA ILE A 295 -3.468 -8.920 0.653 1.00 0.25 C ATOM 693 C ILE A 295 -3.290 -9.394 2.092 1.00 0.25 C ATOM 694 O ILE A 295 -4.266 -9.486 2.843 1.00 0.29 O ATOM 695 CB ILE A 295 -3.527 -7.374 0.628 1.00 0.25 C ATOM 696 CG1 ILE A 295 -3.834 -6.868 -0.785 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.217 -6.777 1.130 1.00 0.27 C ATOM 698 CD1 ILE A 295 -4.030 -5.370 -0.861 1.00 0.37 C ATOM 0 H ILE A 295 -5.514 -8.956 0.200 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.622 -9.236 0.043 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.330 -7.055 1.293 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -3.019 -7.154 -1.450 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -4.733 -7.363 -1.152 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.279 -5.689 1.104 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.036 -7.106 2.153 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.398 -7.109 0.492 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.244 -5.083 -1.891 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -4.864 -5.079 -0.223 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.123 -4.867 -0.525 1.00 0.37 H new ATOM 710 N GLU A 296 -2.061 -9.715 2.469 1.00 0.24 N ATOM 711 CA GLU A 296 -1.776 -10.176 3.815 1.00 0.26 C ATOM 712 C GLU A 296 -0.504 -9.521 4.341 1.00 0.24 C ATOM 713 O GLU A 296 0.310 -9.021 3.558 1.00 0.22 O ATOM 714 CB GLU A 296 -1.638 -11.700 3.832 1.00 0.31 C ATOM 715 CG GLU A 296 -0.384 -12.215 3.147 1.00 0.36 C ATOM 716 CD GLU A 296 -0.414 -13.711 2.963 1.00 0.49 C ATOM 717 OE1 GLU A 296 -1.095 -14.182 2.029 1.00 0.56 O ATOM 718 OE2 GLU A 296 0.235 -14.424 3.754 1.00 0.69 O ATOM 0 H GLU A 296 -1.245 -9.664 1.859 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.604 -9.893 4.465 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -1.641 -12.043 4.867 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -2.510 -12.139 3.348 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.278 -11.732 2.175 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.490 -11.940 3.737 1.00 0.36 H new ATOM 725 N PRO A 297 -0.327 -9.483 5.672 1.00 0.26 N ATOM 726 CA PRO A 297 0.865 -8.898 6.288 1.00 0.27 C ATOM 727 C PRO A 297 2.136 -9.602 5.823 1.00 0.27 C ATOM 728 O PRO A 297 2.345 -10.786 6.109 1.00 0.41 O ATOM 729 CB PRO A 297 0.643 -9.119 7.787 1.00 0.32 C ATOM 730 CG PRO A 297 -0.822 -9.312 7.941 1.00 0.34 C ATOM 731 CD PRO A 297 -1.276 -9.987 6.683 1.00 0.32 C ATOM 0 HA PRO A 297 0.997 -7.849 6.024 1.00 0.27 H new ATOM 0 HB2 PRO A 297 1.194 -9.990 8.142 1.00 0.32 H new ATOM 0 HB3 PRO A 297 0.990 -8.264 8.367 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -1.047 -9.922 8.816 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.330 -8.358 8.079 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.233 -11.073 6.770 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.305 -9.727 6.435 1.00 0.32 H new ATOM 739 N GLY A 298 2.970 -8.874 5.096 1.00 0.27 N ATOM 740 CA GLY A 298 4.199 -9.431 4.582 1.00 0.28 C ATOM 741 C GLY A 298 4.364 -9.167 3.100 1.00 0.25 C ATOM 742 O GLY A 298 5.482 -9.199 2.577 1.00 0.29 O ATOM 0 H GLY A 298 2.813 -7.896 4.852 1.00 0.27 H new ATOM 0 HA2 GLY A 298 5.044 -9.005 5.123 1.00 0.28 H new ATOM 0 HA3 GLY A 298 4.214 -10.506 4.763 1.00 0.28 H new ATOM 746 N ASP A 299 3.249 -8.896 2.423 1.00 0.22 N ATOM 747 CA ASP A 299 3.270 -8.623 0.985 1.00 0.22 C ATOM 748 C ASP A 299 3.924 -7.273 0.709 1.00 0.20 C ATOM 749 O ASP A 299 3.827 -6.352 1.520 1.00 0.21 O ATOM 750 CB ASP A 299 1.851 -8.650 0.403 1.00 0.24 C ATOM 751 CG ASP A 299 1.233 -10.039 0.406 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.984 -11.032 0.278 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.008 -10.146 0.536 1.00 0.28 O ATOM 0 H ASP A 299 2.321 -8.859 2.845 1.00 0.22 H new ATOM 0 HA ASP A 299 3.856 -9.404 0.501 1.00 0.22 H new ATOM 0 HB2 ASP A 299 1.216 -7.975 0.977 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.876 -8.272 -0.619 1.00 0.24 H new ATOM 758 N MET A 300 4.593 -7.161 -0.431 1.00 0.21 N ATOM 759 CA MET A 300 5.275 -5.924 -0.803 1.00 0.21 C ATOM 760 C MET A 300 4.505 -5.179 -1.891 1.00 0.19 C ATOM 761 O MET A 300 3.984 -5.796 -2.819 1.00 0.21 O ATOM 762 CB MET A 300 6.695 -6.231 -1.289 1.00 0.27 C ATOM 763 CG MET A 300 7.539 -4.993 -1.535 1.00 0.32 C ATOM 764 SD MET A 300 9.269 -5.388 -1.863 1.00 0.50 S ATOM 765 CE MET A 300 9.135 -6.247 -3.427 1.00 1.26 C ATOM 0 H MET A 300 4.679 -7.912 -1.116 1.00 0.21 H new ATOM 0 HA MET A 300 5.325 -5.287 0.080 1.00 0.21 H new ATOM 0 HB2 MET A 300 7.194 -6.859 -0.551 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.636 -6.809 -2.211 1.00 0.27 H new ATOM 0 HG2 MET A 300 7.129 -4.441 -2.381 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.478 -4.337 -0.666 1.00 0.32 H new ATOM 0 HE1 MET A 300 9.882 -5.860 -4.120 1.00 1.26 H new ATOM 0 HE2 MET A 300 9.301 -7.313 -3.272 1.00 1.26 H new ATOM 0 HE3 MET A 300 8.140 -6.092 -3.843 1.00 1.26 H new ATOM 775 N LEU A 301 4.442 -3.859 -1.770 1.00 0.19 N ATOM 776 CA LEU A 301 3.744 -3.028 -2.746 1.00 0.19 C ATOM 777 C LEU A 301 4.676 -2.655 -3.894 1.00 0.20 C ATOM 778 O LEU A 301 5.848 -2.347 -3.675 1.00 0.24 O ATOM 779 CB LEU A 301 3.201 -1.759 -2.079 1.00 0.23 C ATOM 780 CG LEU A 301 1.833 -1.900 -1.408 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.602 -0.760 -0.427 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.727 -1.939 -2.454 1.00 0.47 C ATOM 0 H LEU A 301 4.867 -3.338 -1.003 1.00 0.19 H new ATOM 0 HA LEU A 301 2.907 -3.601 -3.146 1.00 0.19 H new ATOM 0 HB2 LEU A 301 3.921 -1.427 -1.331 1.00 0.23 H new ATOM 0 HB3 LEU A 301 3.138 -0.973 -2.831 1.00 0.23 H new ATOM 0 HG LEU A 301 1.815 -2.839 -0.855 1.00 0.33 H new ATOM 0 HD11 LEU A 301 0.625 -0.875 0.041 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.376 -0.777 0.340 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.639 0.191 -0.959 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.239 -2.040 -1.959 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.743 -1.017 -3.035 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.884 -2.789 -3.118 1.00 0.47 H new ATOM 794 N LEU A 302 4.158 -2.704 -5.113 1.00 0.20 N ATOM 795 CA LEU A 302 4.942 -2.370 -6.293 1.00 0.22 C ATOM 796 C LEU A 302 4.385 -1.124 -6.977 1.00 0.22 C ATOM 797 O LEU A 302 5.016 -0.063 -6.974 1.00 0.29 O ATOM 798 CB LEU A 302 4.952 -3.549 -7.272 1.00 0.27 C ATOM 799 CG LEU A 302 5.524 -4.857 -6.717 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.310 -5.990 -7.704 1.00 0.53 C ATOM 801 CD2 LEU A 302 7.003 -4.701 -6.392 1.00 0.46 C ATOM 0 H LEU A 302 3.194 -2.973 -5.311 1.00 0.20 H new ATOM 0 HA LEU A 302 5.965 -2.162 -5.978 1.00 0.22 H new ATOM 0 HB2 LEU A 302 3.930 -3.731 -7.606 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.529 -3.264 -8.152 1.00 0.27 H new ATOM 0 HG LEU A 302 4.996 -5.099 -5.795 1.00 0.37 H new ATOM 0 HD11 LEU A 302 5.722 -6.912 -7.294 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.243 -6.118 -7.885 1.00 0.53 H new ATOM 0 HD13 LEU A 302 5.811 -5.754 -8.643 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.390 -5.641 -5.999 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.548 -4.434 -7.297 1.00 0.46 H new ATOM 0 HD23 LEU A 302 7.131 -3.916 -5.647 1.00 0.46 H new ATOM 813 N GLN A 303 3.196 -1.251 -7.552 1.00 0.21 N ATOM 814 CA GLN A 303 2.560 -0.139 -8.240 1.00 0.22 C ATOM 815 C GLN A 303 1.228 0.194 -7.584 1.00 0.21 C ATOM 816 O GLN A 303 0.434 -0.701 -7.287 1.00 0.25 O ATOM 817 CB GLN A 303 2.346 -0.473 -9.721 1.00 0.27 C ATOM 818 CG GLN A 303 2.031 0.742 -10.578 1.00 0.32 C ATOM 819 CD GLN A 303 1.679 0.393 -12.014 1.00 0.51 C ATOM 820 OE1 GLN A 303 0.903 1.098 -12.655 1.00 0.68 O ATOM 821 NE2 GLN A 303 2.235 -0.695 -12.524 1.00 0.73 N ATOM 0 H GLN A 303 2.653 -2.115 -7.555 1.00 0.21 H new ATOM 0 HA GLN A 303 3.216 0.729 -8.170 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.242 -0.959 -10.109 1.00 0.27 H new ATOM 0 HB3 GLN A 303 1.531 -1.191 -9.809 1.00 0.27 H new ATOM 0 HG2 GLN A 303 1.200 1.287 -10.130 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.891 1.412 -10.575 1.00 0.32 H new ATOM 0 HE21 GLN A 303 2.874 -1.254 -11.959 1.00 0.73 H new ATOM 0 HE22 GLN A 303 2.024 -0.974 -13.482 1.00 0.73 H new ATOM 830 N VAL A 304 0.994 1.477 -7.355 1.00 0.20 N ATOM 831 CA VAL A 304 -0.242 1.932 -6.730 1.00 0.21 C ATOM 832 C VAL A 304 -0.903 3.022 -7.562 1.00 0.22 C ATOM 833 O VAL A 304 -0.343 4.098 -7.743 1.00 0.26 O ATOM 834 CB VAL A 304 0.004 2.470 -5.302 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.261 3.087 -4.726 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.522 1.365 -4.395 1.00 0.27 C ATOM 0 H VAL A 304 1.645 2.225 -7.593 1.00 0.20 H new ATOM 0 HA VAL A 304 -0.901 1.066 -6.671 1.00 0.21 H new ATOM 0 HB VAL A 304 0.763 3.250 -5.362 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.060 3.458 -3.721 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.584 3.913 -5.359 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.047 2.333 -4.684 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.689 1.764 -3.394 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.211 0.560 -4.347 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.460 0.978 -4.792 1.00 0.27 H new ATOM 846 N ASN A 305 -2.093 2.725 -8.069 1.00 0.27 N ATOM 847 CA ASN A 305 -2.863 3.668 -8.882 1.00 0.33 C ATOM 848 C ASN A 305 -2.027 4.256 -10.016 1.00 0.31 C ATOM 849 O ASN A 305 -2.023 5.471 -10.224 1.00 0.34 O ATOM 850 CB ASN A 305 -3.448 4.791 -8.017 1.00 0.39 C ATOM 851 CG ASN A 305 -4.959 4.699 -7.916 1.00 0.78 C ATOM 852 OD1 ASN A 305 -5.533 3.615 -8.003 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.616 5.832 -7.732 1.00 1.14 N ATOM 0 H ASN A 305 -2.554 1.826 -7.930 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.684 3.107 -9.329 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -3.014 4.744 -7.018 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -3.171 5.757 -8.440 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.633 5.825 -7.657 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -5.105 6.712 -7.665 1.00 1.14 H new ATOM 860 N ASP A 306 -1.310 3.374 -10.719 1.00 0.32 N ATOM 861 CA ASP A 306 -0.464 3.733 -11.871 1.00 0.35 C ATOM 862 C ASP A 306 0.909 4.283 -11.479 1.00 0.31 C ATOM 863 O ASP A 306 1.796 4.383 -12.330 1.00 0.35 O ATOM 864 CB ASP A 306 -1.170 4.718 -12.810 1.00 0.42 C ATOM 865 CG ASP A 306 -2.254 4.056 -13.635 1.00 0.66 C ATOM 866 OD1 ASP A 306 -1.925 3.202 -14.486 1.00 1.06 O ATOM 867 OD2 ASP A 306 -3.442 4.387 -13.436 1.00 1.11 O ATOM 0 H ASP A 306 -1.298 2.377 -10.505 1.00 0.32 H new ATOM 0 HA ASP A 306 -0.294 2.794 -12.398 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.607 5.526 -12.223 1.00 0.42 H new ATOM 0 HB3 ASP A 306 -0.435 5.170 -13.476 1.00 0.42 H new ATOM 872 N VAL A 307 1.110 4.644 -10.215 1.00 0.30 N ATOM 873 CA VAL A 307 2.412 5.161 -9.803 1.00 0.29 C ATOM 874 C VAL A 307 3.306 4.012 -9.333 1.00 0.25 C ATOM 875 O VAL A 307 2.856 3.102 -8.634 1.00 0.28 O ATOM 876 CB VAL A 307 2.314 6.268 -8.719 1.00 0.34 C ATOM 877 CG1 VAL A 307 1.188 7.239 -9.042 1.00 0.71 C ATOM 878 CG2 VAL A 307 2.135 5.687 -7.326 1.00 0.53 C ATOM 0 H VAL A 307 0.409 4.591 -9.476 1.00 0.30 H new ATOM 0 HA VAL A 307 2.859 5.635 -10.677 1.00 0.29 H new ATOM 0 HB VAL A 307 3.259 6.812 -8.726 1.00 0.34 H new ATOM 0 HG11 VAL A 307 1.137 8.007 -8.270 1.00 0.71 H new ATOM 0 HG12 VAL A 307 1.378 7.708 -10.008 1.00 0.71 H new ATOM 0 HG13 VAL A 307 0.242 6.699 -9.080 1.00 0.71 H new ATOM 0 HG21 VAL A 307 2.071 6.497 -6.599 1.00 0.53 H new ATOM 0 HG22 VAL A 307 1.219 5.097 -7.293 1.00 0.53 H new ATOM 0 HG23 VAL A 307 2.986 5.050 -7.085 1.00 0.53 H new ATOM 888 N ASN A 308 4.564 4.045 -9.746 1.00 0.25 N ATOM 889 CA ASN A 308 5.518 2.995 -9.403 1.00 0.25 C ATOM 890 C ASN A 308 6.389 3.392 -8.214 1.00 0.24 C ATOM 891 O ASN A 308 6.902 4.510 -8.154 1.00 0.33 O ATOM 892 CB ASN A 308 6.401 2.690 -10.617 1.00 0.33 C ATOM 893 CG ASN A 308 7.351 1.538 -10.373 1.00 0.46 C ATOM 894 OD1 ASN A 308 7.034 0.595 -9.653 1.00 0.58 O ATOM 895 ND2 ASN A 308 8.532 1.617 -10.962 1.00 0.74 N ATOM 0 H ASN A 308 4.952 4.791 -10.323 1.00 0.25 H new ATOM 0 HA ASN A 308 4.956 2.105 -9.120 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.767 2.458 -11.473 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.974 3.580 -10.877 1.00 0.33 H new ATOM 0 HD21 ASN A 308 9.220 0.877 -10.826 1.00 0.74 H new ATOM 0 HD22 ASN A 308 8.755 2.418 -11.553 1.00 0.74 H new ATOM 902 N PHE A 309 6.557 2.469 -7.273 1.00 0.22 N ATOM 903 CA PHE A 309 7.374 2.721 -6.088 1.00 0.24 C ATOM 904 C PHE A 309 8.626 1.845 -6.090 1.00 0.26 C ATOM 905 O PHE A 309 9.448 1.927 -5.178 1.00 0.30 O ATOM 906 CB PHE A 309 6.569 2.457 -4.813 1.00 0.28 C ATOM 907 CG PHE A 309 5.465 3.443 -4.563 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.676 4.797 -4.743 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.219 3.012 -4.139 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.668 5.707 -4.508 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.203 3.917 -3.899 1.00 0.33 C ATOM 912 CZ PHE A 309 3.429 5.268 -4.085 1.00 0.33 C ATOM 0 H PHE A 309 6.139 1.539 -7.306 1.00 0.22 H new ATOM 0 HA PHE A 309 7.677 3.768 -6.112 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.141 1.456 -4.869 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.248 2.466 -3.960 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.643 5.146 -5.072 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.040 1.957 -3.994 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.847 6.762 -4.654 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.236 3.570 -3.567 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.638 5.979 -3.900 1.00 0.33 H new ATOM 922 N GLU A 310 8.769 1.018 -7.123 1.00 0.29 N ATOM 923 CA GLU A 310 9.915 0.113 -7.237 1.00 0.33 C ATOM 924 C GLU A 310 11.248 0.860 -7.266 1.00 0.35 C ATOM 925 O GLU A 310 12.282 0.297 -6.914 1.00 0.47 O ATOM 926 CB GLU A 310 9.795 -0.748 -8.496 1.00 0.40 C ATOM 927 CG GLU A 310 8.748 -1.846 -8.403 1.00 0.54 C ATOM 928 CD GLU A 310 8.797 -2.782 -9.593 1.00 0.67 C ATOM 929 OE1 GLU A 310 9.827 -3.462 -9.776 1.00 1.21 O ATOM 930 OE2 GLU A 310 7.814 -2.839 -10.358 1.00 1.04 O ATOM 0 H GLU A 310 8.106 0.954 -7.895 1.00 0.29 H new ATOM 0 HA GLU A 310 9.902 -0.519 -6.349 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.555 -0.104 -9.342 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.764 -1.202 -8.706 1.00 0.40 H new ATOM 0 HG2 GLU A 310 8.902 -2.416 -7.487 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.757 -1.397 -8.336 1.00 0.54 H new ATOM 937 N ASN A 311 11.229 2.116 -7.687 1.00 0.35 N ATOM 938 CA ASN A 311 12.457 2.902 -7.763 1.00 0.41 C ATOM 939 C ASN A 311 12.329 4.210 -6.991 1.00 0.37 C ATOM 940 O ASN A 311 12.567 5.293 -7.529 1.00 0.48 O ATOM 941 CB ASN A 311 12.814 3.180 -9.226 1.00 0.54 C ATOM 942 CG ASN A 311 13.474 1.992 -9.906 1.00 0.89 C ATOM 943 OD1 ASN A 311 14.184 1.214 -9.274 1.00 1.27 O ATOM 944 ND2 ASN A 311 13.244 1.844 -11.205 1.00 1.32 N ATOM 0 H ASN A 311 10.387 2.611 -7.979 1.00 0.35 H new ATOM 0 HA ASN A 311 13.258 2.322 -7.304 1.00 0.41 H new ATOM 0 HB2 ASN A 311 11.909 3.449 -9.771 1.00 0.54 H new ATOM 0 HB3 ASN A 311 13.483 4.039 -9.275 1.00 0.54 H new ATOM 0 HD21 ASN A 311 13.663 1.064 -11.711 1.00 1.32 H new ATOM 0 HD22 ASN A 311 12.649 2.510 -11.697 1.00 1.32 H new ATOM 951 N MET A 312 11.952 4.106 -5.724 1.00 0.30 N ATOM 952 CA MET A 312 11.797 5.272 -4.865 1.00 0.28 C ATOM 953 C MET A 312 12.259 4.946 -3.449 1.00 0.26 C ATOM 954 O MET A 312 12.505 3.782 -3.128 1.00 0.34 O ATOM 955 CB MET A 312 10.337 5.739 -4.843 1.00 0.28 C ATOM 956 CG MET A 312 9.901 6.442 -6.118 1.00 0.39 C ATOM 957 SD MET A 312 8.146 6.858 -6.120 1.00 0.37 S ATOM 958 CE MET A 312 8.106 8.170 -4.901 1.00 0.51 C ATOM 0 H MET A 312 11.746 3.218 -5.265 1.00 0.30 H new ATOM 0 HA MET A 312 12.413 6.077 -5.266 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.692 4.877 -4.675 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.193 6.414 -3.999 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.486 7.353 -6.244 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.119 5.802 -6.973 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.362 8.912 -5.190 1.00 0.51 H new ATOM 0 HE2 MET A 312 7.845 7.754 -3.928 1.00 0.51 H new ATOM 0 HE3 MET A 312 9.087 8.643 -4.843 1.00 0.51 H new ATOM 968 N SER A 313 12.388 5.969 -2.612 1.00 0.26 N ATOM 969 CA SER A 313 12.809 5.773 -1.230 1.00 0.28 C ATOM 970 C SER A 313 11.627 5.287 -0.394 1.00 0.24 C ATOM 971 O SER A 313 10.473 5.480 -0.781 1.00 0.26 O ATOM 972 CB SER A 313 13.366 7.079 -0.649 1.00 0.36 C ATOM 973 OG SER A 313 12.326 7.992 -0.339 1.00 0.97 O ATOM 0 H SER A 313 12.208 6.940 -2.865 1.00 0.26 H new ATOM 0 HA SER A 313 13.597 5.021 -1.205 1.00 0.28 H new ATOM 0 HB2 SER A 313 13.942 6.862 0.251 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.051 7.534 -1.364 1.00 0.36 H new ATOM 0 HG SER A 313 12.499 8.848 -0.783 1.00 0.97 H new ATOM 979 N ASN A 314 11.913 4.662 0.746 1.00 0.26 N ATOM 980 CA ASN A 314 10.861 4.160 1.631 1.00 0.27 C ATOM 981 C ASN A 314 9.945 5.296 2.055 1.00 0.25 C ATOM 982 O ASN A 314 8.723 5.157 2.071 1.00 0.33 O ATOM 983 CB ASN A 314 11.458 3.512 2.886 1.00 0.35 C ATOM 984 CG ASN A 314 12.141 2.186 2.614 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.778 1.454 1.694 1.00 0.45 O ATOM 986 ND2 ASN A 314 13.136 1.862 3.423 1.00 0.48 N ATOM 0 H ASN A 314 12.862 4.491 1.079 1.00 0.26 H new ATOM 0 HA ASN A 314 10.294 3.411 1.078 1.00 0.27 H new ATOM 0 HB2 ASN A 314 12.178 4.198 3.332 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.666 3.360 3.619 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.631 0.979 3.295 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.409 2.495 4.175 1.00 0.48 H new ATOM 993 N ASP A 315 10.558 6.424 2.378 1.00 0.26 N ATOM 994 CA ASP A 315 9.829 7.605 2.816 1.00 0.28 C ATOM 995 C ASP A 315 8.943 8.152 1.703 1.00 0.23 C ATOM 996 O ASP A 315 7.734 8.300 1.878 1.00 0.24 O ATOM 997 CB ASP A 315 10.807 8.690 3.265 1.00 0.37 C ATOM 998 CG ASP A 315 10.402 9.331 4.574 1.00 0.83 C ATOM 999 OD1 ASP A 315 9.341 9.987 4.625 1.00 1.36 O ATOM 1000 OD2 ASP A 315 11.152 9.189 5.561 1.00 1.40 O ATOM 0 H ASP A 315 11.570 6.547 2.344 1.00 0.26 H new ATOM 0 HA ASP A 315 9.194 7.313 3.653 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.802 8.257 3.369 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.872 9.457 2.494 1.00 0.37 H new ATOM 1005 N ASP A 316 9.551 8.432 0.553 1.00 0.23 N ATOM 1006 CA ASP A 316 8.830 8.979 -0.597 1.00 0.24 C ATOM 1007 C ASP A 316 7.702 8.054 -1.037 1.00 0.19 C ATOM 1008 O ASP A 316 6.632 8.517 -1.436 1.00 0.20 O ATOM 1009 CB ASP A 316 9.780 9.218 -1.777 1.00 0.32 C ATOM 1010 CG ASP A 316 10.647 10.451 -1.609 1.00 0.50 C ATOM 1011 OD1 ASP A 316 10.100 11.573 -1.591 1.00 0.69 O ATOM 1012 OD2 ASP A 316 11.886 10.306 -1.513 1.00 0.88 O ATOM 0 H ASP A 316 10.548 8.288 0.391 1.00 0.23 H new ATOM 0 HA ASP A 316 8.401 9.931 -0.283 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.421 8.345 -1.901 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.195 9.316 -2.691 1.00 0.32 H new ATOM 1017 N ALA A 317 7.949 6.753 -0.960 1.00 0.17 N ATOM 1018 CA ALA A 317 6.961 5.757 -1.355 1.00 0.16 C ATOM 1019 C ALA A 317 5.669 5.896 -0.555 1.00 0.14 C ATOM 1020 O ALA A 317 4.585 6.012 -1.129 1.00 0.17 O ATOM 1021 CB ALA A 317 7.535 4.357 -1.197 1.00 0.20 C ATOM 0 H ALA A 317 8.829 6.361 -0.626 1.00 0.17 H new ATOM 0 HA ALA A 317 6.718 5.927 -2.404 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.788 3.622 -1.495 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.418 4.253 -1.827 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.811 4.192 -0.155 1.00 0.20 H new ATOM 1027 N VAL A 318 5.780 5.907 0.768 1.00 0.12 N ATOM 1028 CA VAL A 318 4.600 6.024 1.616 1.00 0.12 C ATOM 1029 C VAL A 318 3.998 7.423 1.524 1.00 0.11 C ATOM 1030 O VAL A 318 2.785 7.587 1.650 1.00 0.14 O ATOM 1031 CB VAL A 318 4.893 5.695 3.095 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.601 5.369 3.832 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.878 4.542 3.208 1.00 0.21 C ATOM 0 H VAL A 318 6.664 5.837 1.272 1.00 0.12 H new ATOM 0 HA VAL A 318 3.887 5.289 1.243 1.00 0.12 H new ATOM 0 HB VAL A 318 5.345 6.573 3.558 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.824 5.139 4.874 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.929 6.226 3.786 1.00 0.18 H new ATOM 0 HG13 VAL A 318 3.123 4.508 3.365 1.00 0.18 H new ATOM 0 HG21 VAL A 318 6.069 4.328 4.260 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.459 3.657 2.728 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.813 4.813 2.717 1.00 0.21 H new ATOM 1043 N ARG A 319 4.844 8.425 1.290 1.00 0.12 N ATOM 1044 CA ARG A 319 4.376 9.805 1.168 1.00 0.16 C ATOM 1045 C ARG A 319 3.343 9.913 0.054 1.00 0.14 C ATOM 1046 O ARG A 319 2.256 10.454 0.248 1.00 0.22 O ATOM 1047 CB ARG A 319 5.541 10.759 0.885 1.00 0.21 C ATOM 1048 CG ARG A 319 6.406 11.053 2.101 1.00 0.35 C ATOM 1049 CD ARG A 319 7.609 11.912 1.738 1.00 0.40 C ATOM 1050 NE ARG A 319 8.655 11.840 2.754 1.00 0.50 N ATOM 1051 CZ ARG A 319 9.676 12.688 2.837 1.00 0.61 C ATOM 1052 NH1 ARG A 319 9.794 13.686 1.969 1.00 0.83 N ATOM 1053 NH2 ARG A 319 10.579 12.532 3.794 1.00 0.81 N ATOM 0 H ARG A 319 5.852 8.309 1.182 1.00 0.12 H new ATOM 0 HA ARG A 319 3.918 10.090 2.115 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.166 10.331 0.102 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.144 11.698 0.499 1.00 0.21 H new ATOM 0 HG2 ARG A 319 5.810 11.562 2.858 1.00 0.35 H new ATOM 0 HG3 ARG A 319 6.747 10.116 2.541 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.011 11.586 0.779 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.292 12.948 1.616 1.00 0.40 H new ATOM 0 HE ARG A 319 8.599 11.091 3.444 1.00 0.50 H new ATOM 0 HH11 ARG A 319 9.099 13.806 1.232 1.00 0.83 H new ATOM 0 HH12 ARG A 319 10.580 14.333 2.039 1.00 0.83 H new ATOM 0 HH21 ARG A 319 10.488 11.765 4.461 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.365 13.178 3.864 1.00 0.81 H new ATOM 1067 N VAL A 320 3.684 9.375 -1.110 1.00 0.10 N ATOM 1068 CA VAL A 320 2.779 9.401 -2.250 1.00 0.10 C ATOM 1069 C VAL A 320 1.564 8.516 -1.977 1.00 0.09 C ATOM 1070 O VAL A 320 0.436 8.871 -2.317 1.00 0.11 O ATOM 1071 CB VAL A 320 3.481 8.938 -3.545 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.517 8.954 -4.720 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.693 9.809 -3.845 1.00 0.17 C ATOM 0 H VAL A 320 4.578 8.917 -1.289 1.00 0.10 H new ATOM 0 HA VAL A 320 2.456 10.432 -2.392 1.00 0.10 H new ATOM 0 HB VAL A 320 3.821 7.914 -3.392 1.00 0.14 H new ATOM 0 HG11 VAL A 320 3.035 8.624 -5.620 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.683 8.283 -4.515 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.141 9.966 -4.868 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.171 9.464 -4.762 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.375 10.844 -3.969 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.402 9.743 -3.019 1.00 0.17 H new ATOM 1083 N LEU A 321 1.807 7.369 -1.347 1.00 0.08 N ATOM 1084 CA LEU A 321 0.742 6.428 -1.013 1.00 0.09 C ATOM 1085 C LEU A 321 -0.331 7.112 -0.175 1.00 0.09 C ATOM 1086 O LEU A 321 -1.514 7.077 -0.510 1.00 0.10 O ATOM 1087 CB LEU A 321 1.308 5.234 -0.236 1.00 0.11 C ATOM 1088 CG LEU A 321 0.342 4.065 -0.032 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.215 3.579 -1.357 1.00 0.38 C ATOM 1090 CD2 LEU A 321 1.039 2.930 0.698 1.00 0.29 C ATOM 0 H LEU A 321 2.737 7.068 -1.056 1.00 0.08 H new ATOM 0 HA LEU A 321 0.299 6.074 -1.944 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.190 4.867 -0.760 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.640 5.583 0.742 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.493 4.415 0.575 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -0.898 2.748 -1.182 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.751 4.392 -1.847 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.603 3.247 -1.996 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.341 2.104 0.837 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.892 2.589 0.111 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.385 3.281 1.670 1.00 0.29 H new ATOM 1102 N ARG A 322 0.101 7.754 0.902 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.810 8.443 1.804 1.00 0.12 C ATOM 1104 C ARG A 322 -1.536 9.570 1.089 1.00 0.13 C ATOM 1105 O ARG A 322 -2.716 9.815 1.341 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.056 8.980 3.021 1.00 0.15 C ATOM 1107 CG ARG A 322 0.621 7.889 3.836 1.00 0.19 C ATOM 1108 CD ARG A 322 1.200 8.430 5.133 1.00 0.34 C ATOM 1109 NE ARG A 322 0.176 8.603 6.162 1.00 0.49 N ATOM 1110 CZ ARG A 322 0.391 9.191 7.335 1.00 1.05 C ATOM 1111 NH1 ARG A 322 1.595 9.659 7.636 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -0.600 9.305 8.211 1.00 1.28 N ATOM 0 H ARG A 322 1.083 7.812 1.173 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.554 7.724 2.146 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.696 9.695 2.688 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.752 9.524 3.660 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.100 7.102 4.060 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.416 7.434 3.245 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.969 7.749 5.498 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.686 9.387 4.941 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.761 8.251 5.968 1.00 0.49 H new ATOM 0 HH11 ARG A 322 2.359 9.568 6.967 1.00 1.57 H new ATOM 0 HH12 ARG A 322 1.757 10.110 8.537 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -1.526 8.942 7.984 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -0.436 9.756 9.111 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.838 10.239 0.184 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.426 11.328 -0.577 1.00 0.15 C ATOM 1128 C GLU A 323 -2.565 10.805 -1.450 1.00 0.14 C ATOM 1129 O GLU A 323 -3.651 11.378 -1.475 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.359 12.008 -1.437 1.00 0.20 C ATOM 1131 CG GLU A 323 -0.472 13.525 -1.466 1.00 0.62 C ATOM 1132 CD GLU A 323 -1.031 14.041 -2.776 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -0.259 14.159 -3.748 1.00 1.76 O ATOM 1134 OE2 GLU A 323 -2.244 14.339 -2.842 1.00 1.87 O ATOM 0 H GLU A 323 0.138 10.046 -0.041 1.00 0.12 H new ATOM 0 HA GLU A 323 -1.831 12.064 0.117 1.00 0.15 H new ATOM 0 HB2 GLU A 323 0.627 11.733 -1.062 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -0.430 11.628 -2.456 1.00 0.20 H new ATOM 0 HG2 GLU A 323 -1.112 13.854 -0.647 1.00 0.62 H new ATOM 0 HG3 GLU A 323 0.512 13.963 -1.297 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.316 9.692 -2.138 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.320 9.082 -3.009 1.00 0.14 C ATOM 1143 C ILE A 324 -4.519 8.584 -2.198 1.00 0.14 C ATOM 1144 O ILE A 324 -5.668 8.782 -2.590 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.730 7.904 -3.822 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.605 8.400 -4.737 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.816 7.212 -4.642 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.937 7.298 -5.533 1.00 0.29 C ATOM 0 H ILE A 324 -1.427 9.194 -2.109 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.649 9.856 -3.703 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.318 7.178 -3.121 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -2.010 9.140 -5.427 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -0.853 8.906 -4.132 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.377 6.388 -5.205 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.586 6.826 -3.974 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.261 7.927 -5.334 1.00 0.23 H new ATOM 0 HD11 ILE A 324 -0.152 7.725 -6.157 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.502 6.569 -4.850 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.676 6.807 -6.165 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.246 7.961 -1.056 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.308 7.437 -0.198 1.00 0.13 C ATOM 1162 C VAL A 325 -6.140 8.579 0.406 1.00 0.16 C ATOM 1163 O VAL A 325 -7.262 8.372 0.865 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.738 6.522 0.921 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.854 5.958 1.794 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.927 5.389 0.312 1.00 0.16 C ATOM 0 H VAL A 325 -3.302 7.806 -0.702 1.00 0.11 H new ATOM 0 HA VAL A 325 -5.962 6.829 -0.823 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.087 7.127 1.552 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.424 5.322 2.568 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.401 6.778 2.260 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.536 5.371 1.179 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.533 4.755 1.107 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.565 4.796 -0.343 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.100 5.803 -0.265 1.00 0.16 H new ATOM 1176 N SER A 326 -5.601 9.792 0.371 1.00 0.19 N ATOM 1177 CA SER A 326 -6.304 10.950 0.906 1.00 0.24 C ATOM 1178 C SER A 326 -7.227 11.558 -0.150 1.00 0.27 C ATOM 1179 O SER A 326 -7.862 12.587 0.085 1.00 0.44 O ATOM 1180 CB SER A 326 -5.305 11.994 1.405 1.00 0.32 C ATOM 1181 OG SER A 326 -4.453 11.447 2.400 1.00 0.37 O ATOM 0 H SER A 326 -4.682 9.998 -0.021 1.00 0.19 H new ATOM 0 HA SER A 326 -6.916 10.622 1.747 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.707 12.359 0.570 1.00 0.32 H new ATOM 0 HB3 SER A 326 -5.842 12.851 1.812 1.00 0.32 H new ATOM 0 HG SER A 326 -3.604 11.179 1.992 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.302 10.917 -1.311 1.00 0.27 N ATOM 1188 CA GLN A 327 -8.152 11.392 -2.395 1.00 0.32 C ATOM 1189 C GLN A 327 -9.373 10.493 -2.554 1.00 0.34 C ATOM 1190 O GLN A 327 -9.462 9.434 -1.933 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.373 11.463 -3.712 1.00 0.41 C ATOM 1192 CG GLN A 327 -6.904 12.865 -4.063 1.00 0.63 C ATOM 1193 CD GLN A 327 -5.734 13.326 -3.218 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -5.913 13.863 -2.124 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -4.530 13.136 -3.729 1.00 0.94 N ATOM 0 H GLN A 327 -6.783 10.065 -1.525 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.488 12.397 -2.140 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.507 10.804 -3.649 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -8.002 11.086 -4.518 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.619 12.894 -5.115 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -7.733 13.562 -3.937 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -4.427 12.687 -4.639 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -3.704 13.439 -3.213 1.00 0.94 H new ATOM 1204 N THR A 328 -10.308 10.913 -3.389 1.00 0.42 N ATOM 1205 CA THR A 328 -11.524 10.149 -3.618 1.00 0.49 C ATOM 1206 C THR A 328 -11.439 9.352 -4.917 1.00 0.51 C ATOM 1207 O THR A 328 -10.940 9.849 -5.927 1.00 0.84 O ATOM 1208 CB THR A 328 -12.749 11.079 -3.664 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.386 12.340 -4.246 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.315 11.303 -2.269 1.00 0.89 C ATOM 0 H THR A 328 -10.249 11.781 -3.921 1.00 0.42 H new ATOM 0 HA THR A 328 -11.634 9.452 -2.788 1.00 0.49 H new ATOM 0 HB THR A 328 -13.515 10.603 -4.276 1.00 0.66 H new ATOM 0 HG1 THR A 328 -13.171 12.926 -4.273 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.180 11.964 -2.329 1.00 0.89 H new ATOM 0 HG22 THR A 328 -13.617 10.347 -1.841 1.00 0.89 H new ATOM 0 HG23 THR A 328 -12.553 11.759 -1.636 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.917 8.114 -4.885 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.887 7.279 -6.068 1.00 0.44 C ATOM 1220 C GLY A 329 -11.343 5.894 -5.781 1.00 0.39 C ATOM 1221 O GLY A 329 -10.824 5.644 -4.695 1.00 0.43 O ATOM 0 H GLY A 329 -12.325 7.674 -4.060 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.894 7.194 -6.476 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -11.273 7.757 -6.832 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.464 4.961 -6.736 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.965 3.591 -6.575 1.00 0.39 C ATOM 1227 C PRO A 330 -9.440 3.532 -6.568 1.00 0.36 C ATOM 1228 O PRO A 330 -8.773 4.238 -7.332 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.524 2.860 -7.798 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.761 3.920 -8.815 1.00 0.58 C ATOM 1231 CD PRO A 330 -12.108 5.166 -8.051 1.00 0.52 C ATOM 0 HA PRO A 330 -11.273 3.153 -5.626 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.820 2.113 -8.165 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.448 2.335 -7.554 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -10.874 4.075 -9.429 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.570 3.639 -9.489 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -11.729 6.059 -8.548 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -13.187 5.289 -7.954 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.888 2.692 -5.705 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.444 2.555 -5.599 1.00 0.25 C ATOM 1241 C ILE A 331 -6.997 1.164 -6.036 1.00 0.25 C ATOM 1242 O ILE A 331 -7.530 0.156 -5.572 1.00 0.30 O ATOM 1243 CB ILE A 331 -6.952 2.828 -4.160 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.381 4.230 -3.718 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.436 2.681 -4.072 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.022 4.556 -2.285 1.00 0.35 C ATOM 0 H ILE A 331 -9.418 2.096 -5.069 1.00 0.27 H new ATOM 0 HA ILE A 331 -7.002 3.299 -6.262 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.403 2.094 -3.492 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.917 4.966 -4.375 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.460 4.326 -3.843 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.110 2.877 -3.051 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.152 1.668 -4.355 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -4.962 3.393 -4.747 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.358 5.565 -2.046 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.508 3.844 -1.617 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -5.941 4.494 -2.158 1.00 0.35 H new ATOM 1258 N SER A 332 -6.035 1.122 -6.946 1.00 0.28 N ATOM 1259 CA SER A 332 -5.498 -0.135 -7.442 1.00 0.31 C ATOM 1260 C SER A 332 -4.158 -0.430 -6.774 1.00 0.27 C ATOM 1261 O SER A 332 -3.212 0.355 -6.882 1.00 0.31 O ATOM 1262 CB SER A 332 -5.339 -0.079 -8.965 1.00 0.41 C ATOM 1263 OG SER A 332 -4.986 1.228 -9.398 1.00 1.09 O ATOM 0 H SER A 332 -5.608 1.952 -7.358 1.00 0.28 H new ATOM 0 HA SER A 332 -6.193 -0.938 -7.198 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.573 -0.788 -9.279 1.00 0.41 H new ATOM 0 HB3 SER A 332 -6.271 -0.384 -9.442 1.00 0.41 H new ATOM 0 HG SER A 332 -4.890 1.235 -10.373 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.082 -1.555 -6.078 1.00 0.27 N ATOM 1270 CA LEU A 333 -2.863 -1.936 -5.379 1.00 0.26 C ATOM 1271 C LEU A 333 -2.231 -3.175 -5.994 1.00 0.26 C ATOM 1272 O LEU A 333 -2.842 -4.241 -6.033 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.156 -2.200 -3.899 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.721 -1.015 -3.117 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -4.032 -1.421 -1.689 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.747 0.150 -3.126 1.00 0.39 C ATOM 0 H LEU A 333 -4.850 -2.220 -5.982 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.162 -1.107 -5.473 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -3.861 -3.028 -3.829 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.234 -2.524 -3.417 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.644 -0.699 -3.602 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.433 -0.565 -1.147 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -4.767 -2.226 -1.691 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -3.120 -1.764 -1.201 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.170 0.982 -2.563 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.807 -0.158 -2.667 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -2.563 0.463 -4.154 1.00 0.39 H new ATOM 1288 N THR A 334 -1.013 -3.020 -6.484 1.00 0.24 N ATOM 1289 CA THR A 334 -0.275 -4.125 -7.069 1.00 0.26 C ATOM 1290 C THR A 334 0.757 -4.631 -6.067 1.00 0.26 C ATOM 1291 O THR A 334 1.736 -3.940 -5.771 1.00 0.28 O ATOM 1292 CB THR A 334 0.425 -3.698 -8.372 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.545 -3.190 -9.300 1.00 0.50 O ATOM 1294 CG2 THR A 334 1.169 -4.867 -9.002 1.00 0.42 C ATOM 0 H THR A 334 -0.511 -2.132 -6.488 1.00 0.24 H new ATOM 0 HA THR A 334 -0.978 -4.922 -7.310 1.00 0.26 H new ATOM 0 HB THR A 334 1.148 -2.919 -8.131 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.095 -2.918 -10.127 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.654 -4.537 -9.921 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.923 -5.236 -8.306 1.00 0.42 H new ATOM 0 HG23 THR A 334 0.464 -5.666 -9.231 1.00 0.42 H new ATOM 1302 N VAL A 335 0.528 -5.821 -5.529 1.00 0.26 N ATOM 1303 CA VAL A 335 1.435 -6.384 -4.541 1.00 0.28 C ATOM 1304 C VAL A 335 2.155 -7.619 -5.062 1.00 0.28 C ATOM 1305 O VAL A 335 1.675 -8.308 -5.964 1.00 0.32 O ATOM 1306 CB VAL A 335 0.703 -6.754 -3.231 1.00 0.30 C ATOM 1307 CG1 VAL A 335 0.205 -5.509 -2.518 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.447 -7.717 -3.497 1.00 0.31 C ATOM 0 H VAL A 335 -0.272 -6.411 -5.758 1.00 0.26 H new ATOM 0 HA VAL A 335 2.168 -5.604 -4.336 1.00 0.28 H new ATOM 0 HB VAL A 335 1.419 -7.256 -2.581 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.307 -5.796 -1.599 1.00 0.33 H new ATOM 0 HG12 VAL A 335 1.051 -4.865 -2.277 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -0.487 -4.971 -3.166 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -0.943 -7.959 -2.557 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.162 -7.251 -4.175 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.060 -8.630 -3.949 1.00 0.31 H new ATOM 1318 N ALA A 336 3.314 -7.881 -4.483 1.00 0.28 N ATOM 1319 CA ALA A 336 4.117 -9.034 -4.845 1.00 0.31 C ATOM 1320 C ALA A 336 4.047 -10.065 -3.732 1.00 0.33 C ATOM 1321 O ALA A 336 4.665 -9.899 -2.679 1.00 0.38 O ATOM 1322 CB ALA A 336 5.558 -8.619 -5.104 1.00 0.34 C ATOM 0 H ALA A 336 3.723 -7.301 -3.750 1.00 0.28 H new ATOM 0 HA ALA A 336 3.725 -9.473 -5.762 1.00 0.31 H new ATOM 0 HB1 ALA A 336 6.146 -9.496 -5.374 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.588 -7.897 -5.920 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.974 -8.167 -4.204 1.00 0.34 H new ATOM 1328 N LYS A 337 3.266 -11.108 -3.952 1.00 0.36 N ATOM 1329 CA LYS A 337 3.111 -12.154 -2.961 1.00 0.40 C ATOM 1330 C LYS A 337 4.173 -13.228 -3.145 1.00 0.47 C ATOM 1331 O LYS A 337 4.181 -13.884 -4.208 1.00 0.60 O ATOM 1332 CB LYS A 337 1.713 -12.763 -3.043 1.00 0.41 C ATOM 1333 CG LYS A 337 0.602 -11.778 -2.711 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.741 -12.477 -2.573 1.00 0.41 C ATOM 1335 CE LYS A 337 -0.813 -13.305 -1.300 1.00 0.39 C ATOM 1336 NZ LYS A 337 -1.152 -12.482 -0.112 1.00 0.38 N ATOM 1337 OXT LYS A 337 4.996 -13.411 -2.224 1.00 0.70 O ATOM 0 H LYS A 337 2.730 -11.252 -4.808 1.00 0.36 H new ATOM 0 HA LYS A 337 3.238 -11.713 -1.972 1.00 0.40 H new ATOM 0 HB2 LYS A 337 1.554 -13.153 -4.048 1.00 0.41 H new ATOM 0 HB3 LYS A 337 1.653 -13.610 -2.359 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.840 -11.259 -1.782 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.540 -11.021 -3.493 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.539 -11.735 -2.571 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -0.907 -13.121 -3.437 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -1.560 -14.090 -1.421 1.00 0.39 H new ATOM 0 HE3 LYS A 337 0.145 -13.799 -1.136 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.240 -13.096 0.722 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 -0.401 -11.782 0.051 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -2.054 -11.990 -0.276 1.00 0.38 H new ATOM 1369 N TRP B 2 0.847 5.103 7.815 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.462 4.524 8.104 1.00 0.13 C ATOM 1371 C TRP B 2 -1.530 5.105 7.193 1.00 0.14 C ATOM 1372 O TRP B 2 -1.580 6.317 6.986 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.849 4.810 9.558 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.318 3.813 10.540 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.876 3.862 11.197 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -0.972 2.622 10.982 1.00 0.24 C ATOM 1377 NE1 TRP B 2 1.007 2.770 12.019 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.116 1.993 11.907 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.199 2.028 10.687 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.453 0.796 12.537 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.531 0.842 11.309 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.664 0.237 12.225 1.00 0.39 C ATOM 0 HA TRP B 2 -0.396 3.449 7.935 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.486 5.801 9.831 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -1.936 4.836 9.635 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.611 4.645 11.087 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.810 2.570 12.616 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -2.877 2.488 9.984 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.215 0.327 13.244 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.477 0.372 11.085 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -1.955 -0.690 12.696 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.367 4.233 6.638 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.466 4.653 5.777 1.00 0.11 C ATOM 1395 C VAL B 3 -4.594 3.641 5.865 1.00 0.14 C ATOM 1396 O VAL B 3 -5.652 3.856 5.241 1.00 0.24 O ATOM 1397 CB VAL B 3 -3.068 4.851 4.290 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.837 6.322 4.004 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.844 4.036 3.897 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.424 2.634 6.585 1.00 0.27 O ATOM 0 H VAL B 3 -2.303 3.224 6.771 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.782 5.630 6.143 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.898 4.487 3.684 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.558 6.450 2.958 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.751 6.880 4.207 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -2.035 6.695 4.641 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.611 4.213 2.847 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.995 4.334 4.512 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.048 2.976 4.050 1.00 0.11 H new