USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 703 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 269 GLN : amide:sc= 0.414 K(o=0.85,f=-0.52) USER MOD Set 1.2: A 279 TYR OH : rot 38:sc= 0.44 USER MOD Set 2.1: A 253 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 248 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 251 THR OG1 : rot 180:sc= -0.0284 USER MOD Single : A 255 ASN : amide:sc= 0.648 K(o=0.65,f=-8.1!) USER MOD Single : A 256 MET CE :methyl -171:sc= 0 (180deg=-0.105) USER MOD Single : A 259 HIS : no HE2:sc= 0.963 K(o=0.96,f=-3.7!) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 265 SER OG : rot -106:sc= 0.51 USER MOD Single : A 270 SER OG : rot 180:sc= 0 USER MOD Single : A 271 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 282 SER OG : rot 180:sc= 0 USER MOD Single : A 284 MET CE :methyl 143:sc= -0.0993 (180deg=-0.917) USER MOD Single : A 285 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0724) USER MOD Single : A 300 MET CE :methyl 137:sc= -0.449 (180deg=-1.2) USER MOD Single : A 303 GLN :FLIP amide:sc= -0.224 F(o=-0.99,f=-0.22) USER MOD Single : A 305 ASN : amide:sc= 1.03 K(o=1,f=-4.8!) USER MOD Single : A 308 ASN : amide:sc= -0.982 K(o=-0.98,f=-5.5!) USER MOD Single : A 311 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.6!) USER MOD Single : A 312 MET CE :methyl 141:sc= -0.417 (180deg=-2.02) USER MOD Single : A 313 SER OG : rot 180:sc= -1.19 USER MOD Single : A 314 ASN : amide:sc= 0.333 K(o=0.33,f=-3.4!) USER MOD Single : A 326 SER OG : rot 90:sc= 1.26 USER MOD Single : A 327 GLN : amide:sc= 0.824 K(o=0.82,f=0) USER MOD Single : A 328 THR OG1 : rot -72:sc= 0.0973 USER MOD Single : A 334 THR OG1 : rot 77:sc= 0.909 USER MOD Single : A 337 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0.438!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 4.729 -13.681 -6.409 1.00 0.52 N ATOM 2 CA ASN A 248 3.421 -13.640 -7.100 1.00 0.49 C ATOM 3 C ASN A 248 2.808 -12.252 -6.970 1.00 0.44 C ATOM 4 O ASN A 248 2.431 -11.829 -5.879 1.00 0.47 O ATOM 5 CB ASN A 248 2.486 -14.703 -6.511 1.00 0.57 C ATOM 6 CG ASN A 248 1.137 -14.742 -7.200 1.00 0.70 C ATOM 7 OD1 ASN A 248 0.160 -14.187 -6.706 1.00 0.99 O ATOM 8 ND2 ASN A 248 1.071 -15.406 -8.342 1.00 1.26 N ATOM 0 HA ASN A 248 3.566 -13.855 -8.159 1.00 0.49 H new ATOM 0 HB2 ASN A 248 2.959 -15.682 -6.592 1.00 0.57 H new ATOM 0 HB3 ASN A 248 2.341 -14.505 -5.449 1.00 0.57 H new ATOM 0 HD21 ASN A 248 0.186 -15.470 -8.844 1.00 1.26 H new ATOM 0 HD22 ASN A 248 1.906 -15.854 -8.720 1.00 1.26 H new ATOM 17 N ILE A 249 2.724 -11.537 -8.085 1.00 0.45 N ATOM 18 CA ILE A 249 2.174 -10.189 -8.084 1.00 0.43 C ATOM 19 C ILE A 249 0.680 -10.199 -8.391 1.00 0.42 C ATOM 20 O ILE A 249 0.250 -10.728 -9.418 1.00 0.50 O ATOM 21 CB ILE A 249 2.895 -9.288 -9.107 1.00 0.47 C ATOM 22 CG1 ILE A 249 4.410 -9.347 -8.894 1.00 0.54 C ATOM 23 CG2 ILE A 249 2.393 -7.852 -9.001 1.00 0.50 C ATOM 24 CD1 ILE A 249 5.199 -8.601 -9.946 1.00 0.65 C ATOM 0 H ILE A 249 3.030 -11.868 -9.000 1.00 0.45 H new ATOM 0 HA ILE A 249 2.329 -9.786 -7.083 1.00 0.43 H new ATOM 0 HB ILE A 249 2.673 -9.655 -10.109 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.647 -8.934 -7.913 1.00 0.54 H new ATOM 0 HG13 ILE A 249 4.727 -10.390 -8.886 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.913 -7.230 -9.730 1.00 0.50 H new ATOM 0 HG22 ILE A 249 1.322 -7.826 -9.199 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.586 -7.472 -7.998 1.00 0.50 H new ATOM 0 HD11 ILE A 249 6.264 -8.686 -9.731 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.992 -9.028 -10.927 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.911 -7.550 -9.940 1.00 0.65 H new ATOM 36 N ILE A 250 -0.104 -9.613 -7.497 1.00 0.39 N ATOM 37 CA ILE A 250 -1.547 -9.544 -7.675 1.00 0.41 C ATOM 38 C ILE A 250 -2.006 -8.090 -7.694 1.00 0.37 C ATOM 39 O ILE A 250 -1.593 -7.286 -6.854 1.00 0.36 O ATOM 40 CB ILE A 250 -2.308 -10.299 -6.560 1.00 0.44 C ATOM 41 CG1 ILE A 250 -1.806 -11.741 -6.450 1.00 0.48 C ATOM 42 CG2 ILE A 250 -3.807 -10.278 -6.828 1.00 0.55 C ATOM 43 CD1 ILE A 250 -2.526 -12.562 -5.398 1.00 0.54 C ATOM 0 H ILE A 250 0.236 -9.178 -6.640 1.00 0.39 H new ATOM 0 HA ILE A 250 -1.774 -10.023 -8.627 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.119 -9.794 -5.613 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -1.918 -12.229 -7.418 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -0.740 -11.728 -6.221 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.326 -10.814 -6.033 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.157 -9.246 -6.858 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.012 -10.759 -7.784 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.115 -13.571 -5.380 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.393 -12.098 -4.421 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -3.589 -12.607 -5.636 1.00 0.54 H new ATOM 55 N THR A 251 -2.843 -7.757 -8.662 1.00 0.40 N ATOM 56 CA THR A 251 -3.372 -6.412 -8.786 1.00 0.39 C ATOM 57 C THR A 251 -4.842 -6.392 -8.379 1.00 0.40 C ATOM 58 O THR A 251 -5.694 -6.941 -9.076 1.00 0.48 O ATOM 59 CB THR A 251 -3.229 -5.895 -10.227 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.017 -6.403 -10.805 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.216 -4.373 -10.265 1.00 0.47 C ATOM 0 H THR A 251 -3.172 -8.406 -9.377 1.00 0.40 H new ATOM 0 HA THR A 251 -2.801 -5.760 -8.126 1.00 0.39 H new ATOM 0 HB THR A 251 -4.086 -6.244 -10.802 1.00 0.46 H new ATOM 0 HG1 THR A 251 -1.929 -6.073 -11.724 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.114 -4.036 -11.296 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.148 -3.991 -9.849 1.00 0.47 H new ATOM 0 HG23 THR A 251 -2.377 -4.002 -9.677 1.00 0.47 H new ATOM 69 N VAL A 252 -5.132 -5.778 -7.244 1.00 0.36 N ATOM 70 CA VAL A 252 -6.499 -5.714 -6.746 1.00 0.38 C ATOM 71 C VAL A 252 -6.996 -4.279 -6.695 1.00 0.35 C ATOM 72 O VAL A 252 -6.209 -3.343 -6.562 1.00 0.39 O ATOM 73 CB VAL A 252 -6.620 -6.345 -5.338 1.00 0.41 C ATOM 74 CG1 VAL A 252 -6.100 -7.772 -5.342 1.00 0.50 C ATOM 75 CG2 VAL A 252 -5.873 -5.517 -4.302 1.00 0.40 C ATOM 0 H VAL A 252 -4.442 -5.317 -6.650 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.116 -6.284 -7.441 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.676 -6.359 -5.069 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -6.194 -8.196 -4.342 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.680 -8.369 -6.046 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -5.052 -7.776 -5.640 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -5.975 -5.983 -3.322 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -4.818 -5.464 -4.571 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.291 -4.511 -4.270 1.00 0.40 H new ATOM 85 N THR A 253 -8.299 -4.110 -6.813 1.00 0.39 N ATOM 86 CA THR A 253 -8.897 -2.791 -6.756 1.00 0.40 C ATOM 87 C THR A 253 -9.841 -2.727 -5.561 1.00 0.39 C ATOM 88 O THR A 253 -10.660 -3.625 -5.354 1.00 0.54 O ATOM 89 CB THR A 253 -9.632 -2.426 -8.070 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.154 -1.094 -7.993 1.00 0.76 O ATOM 91 CG2 THR A 253 -10.761 -3.402 -8.373 1.00 0.79 C ATOM 0 H THR A 253 -8.964 -4.871 -6.949 1.00 0.39 H new ATOM 0 HA THR A 253 -8.103 -2.054 -6.635 1.00 0.40 H new ATOM 0 HB THR A 253 -8.905 -2.487 -8.880 1.00 0.50 H new ATOM 0 HG1 THR A 253 -10.615 -0.874 -8.830 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.252 -3.113 -9.302 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.354 -4.408 -8.476 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.485 -3.385 -7.559 1.00 0.79 H new ATOM 99 N LEU A 254 -9.712 -1.686 -4.759 1.00 0.33 N ATOM 100 CA LEU A 254 -10.538 -1.545 -3.570 1.00 0.35 C ATOM 101 C LEU A 254 -11.598 -0.468 -3.741 1.00 0.35 C ATOM 102 O LEU A 254 -11.348 0.587 -4.331 1.00 0.37 O ATOM 103 CB LEU A 254 -9.660 -1.235 -2.357 1.00 0.36 C ATOM 104 CG LEU A 254 -8.524 -2.229 -2.109 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.668 -1.775 -0.940 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.079 -3.622 -1.853 1.00 0.45 C ATOM 0 H LEU A 254 -9.046 -0.927 -4.907 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.055 -2.491 -3.411 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.231 -0.241 -2.482 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.292 -1.200 -1.470 1.00 0.36 H new ATOM 0 HG LEU A 254 -7.899 -2.267 -3.001 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -6.864 -2.493 -0.777 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.241 -0.797 -1.160 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.283 -1.709 -0.043 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.256 -4.315 -1.679 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -9.727 -3.600 -0.977 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -9.652 -3.950 -2.720 1.00 0.45 H new ATOM 118 N ASN A 255 -12.784 -0.753 -3.223 1.00 0.40 N ATOM 119 CA ASN A 255 -13.905 0.170 -3.291 1.00 0.44 C ATOM 120 C ASN A 255 -13.814 1.188 -2.160 1.00 0.40 C ATOM 121 O ASN A 255 -13.823 0.824 -0.982 1.00 0.39 O ATOM 122 CB ASN A 255 -15.225 -0.604 -3.199 1.00 0.50 C ATOM 123 CG ASN A 255 -16.441 0.304 -3.190 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.871 0.772 -2.135 1.00 0.52 O ATOM 125 ND2 ASN A 255 -16.999 0.560 -4.363 1.00 0.65 N ATOM 0 H ASN A 255 -12.995 -1.629 -2.745 1.00 0.40 H new ATOM 0 HA ASN A 255 -13.871 0.700 -4.243 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.297 -1.291 -4.042 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.223 -1.210 -2.293 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.818 1.166 -4.417 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.610 0.151 -5.213 1.00 0.65 H new ATOM 132 N MET A 256 -13.727 2.462 -2.518 1.00 0.41 N ATOM 133 CA MET A 256 -13.623 3.527 -1.529 1.00 0.41 C ATOM 134 C MET A 256 -14.963 4.220 -1.318 1.00 0.44 C ATOM 135 O MET A 256 -15.026 5.328 -0.786 1.00 0.49 O ATOM 136 CB MET A 256 -12.564 4.544 -1.955 1.00 0.43 C ATOM 137 CG MET A 256 -11.137 4.079 -1.699 1.00 0.45 C ATOM 138 SD MET A 256 -10.788 3.837 0.055 1.00 0.56 S ATOM 139 CE MET A 256 -10.654 5.537 0.606 1.00 0.63 C ATOM 0 H MET A 256 -13.726 2.783 -3.486 1.00 0.41 H new ATOM 0 HA MET A 256 -13.324 3.077 -0.582 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.683 4.757 -3.017 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.734 5.479 -1.421 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.962 3.145 -2.232 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.441 4.813 -2.106 1.00 0.45 H new ATOM 0 HE1 MET A 256 -10.284 5.559 1.631 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.962 6.076 -0.041 1.00 0.63 H new ATOM 0 HE3 MET A 256 -11.634 6.011 0.564 1.00 0.63 H new ATOM 149 N GLU A 257 -16.038 3.566 -1.737 1.00 0.46 N ATOM 150 CA GLU A 257 -17.373 4.123 -1.575 1.00 0.51 C ATOM 151 C GLU A 257 -17.937 3.716 -0.223 1.00 0.49 C ATOM 152 O GLU A 257 -18.413 4.552 0.544 1.00 0.56 O ATOM 153 CB GLU A 257 -18.291 3.650 -2.697 1.00 0.56 C ATOM 154 CG GLU A 257 -17.818 4.056 -4.079 1.00 0.67 C ATOM 155 CD GLU A 257 -17.572 5.546 -4.195 1.00 0.86 C ATOM 156 OE1 GLU A 257 -18.516 6.329 -3.953 1.00 1.23 O ATOM 157 OE2 GLU A 257 -16.439 5.941 -4.542 1.00 1.27 O ATOM 0 H GLU A 257 -16.012 2.652 -2.190 1.00 0.46 H new ATOM 0 HA GLU A 257 -17.310 5.210 -1.623 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -18.373 2.564 -2.655 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -19.291 4.052 -2.531 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.899 3.520 -4.317 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.562 3.756 -4.817 1.00 0.67 H new ATOM 164 N ARG A 258 -17.870 2.423 0.072 1.00 0.45 N ATOM 165 CA ARG A 258 -18.357 1.909 1.342 1.00 0.45 C ATOM 166 C ARG A 258 -17.212 1.841 2.349 1.00 0.43 C ATOM 167 O ARG A 258 -17.329 1.234 3.416 1.00 0.63 O ATOM 168 CB ARG A 258 -18.986 0.528 1.162 1.00 0.48 C ATOM 169 CG ARG A 258 -20.227 0.317 2.016 1.00 0.56 C ATOM 170 CD ARG A 258 -20.615 -1.150 2.092 1.00 0.64 C ATOM 171 NE ARG A 258 -19.869 -1.868 3.127 1.00 0.75 N ATOM 172 CZ ARG A 258 -19.818 -3.195 3.223 1.00 0.86 C ATOM 173 NH1 ARG A 258 -20.451 -3.956 2.341 1.00 1.01 N ATOM 174 NH2 ARG A 258 -19.132 -3.761 4.210 1.00 1.06 N ATOM 0 H ARG A 258 -17.483 1.714 -0.551 1.00 0.45 H new ATOM 0 HA ARG A 258 -19.124 2.586 1.719 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.247 0.389 0.113 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -18.248 -0.235 1.410 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -20.046 0.698 3.021 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -21.056 0.891 1.602 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -21.683 -1.231 2.294 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -20.437 -1.621 1.125 1.00 0.64 H new ATOM 0 HE ARG A 258 -19.357 -1.318 3.817 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -20.981 -3.525 1.583 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -20.408 -4.972 2.420 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -18.646 -3.179 4.892 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -19.092 -4.777 4.286 1.00 1.06 H new ATOM 188 N HIS A 259 -16.099 2.465 1.989 1.00 0.37 N ATOM 189 CA HIS A 259 -14.918 2.505 2.838 1.00 0.35 C ATOM 190 C HIS A 259 -14.396 3.927 2.889 1.00 0.40 C ATOM 191 O HIS A 259 -14.703 4.730 2.011 1.00 0.63 O ATOM 192 CB HIS A 259 -13.826 1.567 2.315 1.00 0.38 C ATOM 193 CG HIS A 259 -14.182 0.117 2.392 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.237 -0.701 1.286 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.507 -0.663 3.451 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.580 -1.919 1.657 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.750 -1.925 2.968 1.00 0.75 N ATOM 0 H HIS A 259 -15.990 2.957 1.102 1.00 0.37 H new ATOM 0 HA HIS A 259 -15.194 2.170 3.838 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.608 1.822 1.278 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.912 1.737 2.884 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -14.043 -0.410 0.328 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.564 -0.350 4.483 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -14.702 -2.768 1.001 1.00 0.76 H new ATOM 206 N HIS A 260 -13.619 4.248 3.910 1.00 0.36 N ATOM 207 CA HIS A 260 -13.087 5.599 4.041 1.00 0.42 C ATOM 208 C HIS A 260 -11.580 5.590 4.252 1.00 0.35 C ATOM 209 O HIS A 260 -10.963 6.646 4.381 1.00 0.42 O ATOM 210 CB HIS A 260 -13.772 6.342 5.192 1.00 0.56 C ATOM 211 CG HIS A 260 -15.262 6.447 5.048 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.889 6.863 3.892 1.00 0.97 N ATOM 213 CD2 HIS A 260 -16.252 6.181 5.930 1.00 0.88 C ATOM 214 CE1 HIS A 260 -17.195 6.848 4.072 1.00 1.09 C ATOM 215 NE2 HIS A 260 -17.444 6.437 5.300 1.00 1.01 N ATOM 0 H HIS A 260 -13.344 3.604 4.652 1.00 0.36 H new ATOM 0 HA HIS A 260 -13.295 6.121 3.107 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.542 5.832 6.128 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -13.352 7.345 5.264 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.127 5.831 6.944 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -17.936 7.126 3.337 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -18.370 6.327 5.713 1.00 1.01 H new ATOM 224 N PHE A 261 -10.984 4.406 4.273 1.00 0.30 N ATOM 225 CA PHE A 261 -9.545 4.283 4.470 1.00 0.25 C ATOM 226 C PHE A 261 -9.061 2.904 4.039 1.00 0.21 C ATOM 227 O PHE A 261 -9.867 1.984 3.850 1.00 0.22 O ATOM 228 CB PHE A 261 -9.162 4.553 5.936 1.00 0.28 C ATOM 229 CG PHE A 261 -9.662 3.527 6.920 1.00 0.32 C ATOM 230 CD1 PHE A 261 -11.012 3.416 7.212 1.00 0.52 C ATOM 231 CD2 PHE A 261 -8.774 2.677 7.559 1.00 0.36 C ATOM 232 CE1 PHE A 261 -11.465 2.476 8.119 1.00 0.62 C ATOM 233 CE2 PHE A 261 -9.221 1.737 8.467 1.00 0.44 C ATOM 234 CZ PHE A 261 -10.567 1.636 8.747 1.00 0.52 C ATOM 0 H PHE A 261 -11.473 3.518 4.156 1.00 0.30 H new ATOM 0 HA PHE A 261 -9.056 5.033 3.849 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -8.076 4.606 6.009 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.549 5.530 6.224 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.719 4.072 6.725 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -7.718 2.750 7.344 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -12.520 2.399 8.336 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -8.516 1.082 8.957 1.00 0.44 H new ATOM 0 HZ PHE A 261 -10.918 0.901 9.456 1.00 0.52 H new ATOM 244 N LEU A 262 -7.752 2.767 3.887 1.00 0.17 N ATOM 245 CA LEU A 262 -7.155 1.508 3.480 1.00 0.14 C ATOM 246 C LEU A 262 -7.157 0.536 4.650 1.00 0.12 C ATOM 247 O LEU A 262 -7.684 -0.575 4.547 1.00 0.14 O ATOM 248 CB LEU A 262 -5.726 1.742 2.964 1.00 0.14 C ATOM 249 CG LEU A 262 -5.614 2.202 1.505 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.188 2.032 1.005 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.581 1.434 0.617 1.00 0.34 C ATOM 0 H LEU A 262 -7.081 3.519 4.041 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.742 1.076 2.669 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.247 2.488 3.599 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.162 0.817 3.079 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.878 3.259 1.461 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.124 2.363 -0.032 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.514 2.629 1.619 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -3.903 0.982 1.069 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.482 1.779 -0.412 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.353 0.369 0.667 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.602 1.603 0.960 1.00 0.34 H new ATOM 263 N GLY A 263 -6.583 0.969 5.763 1.00 0.11 N ATOM 264 CA GLY A 263 -6.537 0.147 6.949 1.00 0.12 C ATOM 265 C GLY A 263 -5.322 -0.750 6.977 1.00 0.11 C ATOM 266 O GLY A 263 -5.428 -1.925 7.313 1.00 0.14 O ATOM 0 H GLY A 263 -6.145 1.885 5.863 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.534 0.786 7.832 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.438 -0.464 7.000 1.00 0.12 H new ATOM 270 N ILE A 264 -4.168 -0.200 6.631 1.00 0.09 N ATOM 271 CA ILE A 264 -2.933 -0.978 6.617 1.00 0.09 C ATOM 272 C ILE A 264 -1.739 -0.157 7.077 1.00 0.08 C ATOM 273 O ILE A 264 -1.701 1.068 6.911 1.00 0.11 O ATOM 274 CB ILE A 264 -2.614 -1.549 5.217 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.970 -0.541 4.124 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.346 -2.864 5.000 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.432 -0.909 2.759 1.00 0.18 C ATOM 0 H ILE A 264 -4.058 0.776 6.357 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.103 -1.801 7.311 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.542 -1.740 5.161 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -4.055 -0.450 4.065 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.583 0.438 4.405 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.110 -3.252 4.009 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.033 -3.584 5.756 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.421 -2.700 5.079 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.724 -0.148 2.035 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.345 -0.971 2.801 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.839 -1.874 2.455 1.00 0.18 H new ATOM 289 N SER A 265 -0.774 -0.846 7.669 1.00 0.09 N ATOM 290 CA SER A 265 0.447 -0.218 8.134 1.00 0.12 C ATOM 291 C SER A 265 1.549 -0.467 7.119 1.00 0.11 C ATOM 292 O SER A 265 1.721 -1.594 6.653 1.00 0.19 O ATOM 293 CB SER A 265 0.847 -0.785 9.497 1.00 0.20 C ATOM 294 OG SER A 265 0.101 -1.955 9.799 1.00 1.00 O ATOM 0 H SER A 265 -0.818 -1.851 7.838 1.00 0.09 H new ATOM 0 HA SER A 265 0.286 0.855 8.243 1.00 0.12 H new ATOM 0 HB2 SER A 265 1.912 -1.017 9.500 1.00 0.20 H new ATOM 0 HB3 SER A 265 0.682 -0.034 10.270 1.00 0.20 H new ATOM 0 HG SER A 265 -0.567 -1.749 10.485 1.00 1.00 H new ATOM 300 N ILE A 266 2.280 0.569 6.762 1.00 0.10 N ATOM 301 CA ILE A 266 3.348 0.424 5.791 1.00 0.11 C ATOM 302 C ILE A 266 4.697 0.306 6.495 1.00 0.13 C ATOM 303 O ILE A 266 5.117 1.211 7.213 1.00 0.28 O ATOM 304 CB ILE A 266 3.385 1.602 4.788 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.965 2.018 4.359 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.213 1.227 3.571 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.141 0.879 3.802 1.00 0.16 C ATOM 0 H ILE A 266 2.157 1.514 7.126 1.00 0.10 H new ATOM 0 HA ILE A 266 3.148 -0.489 5.229 1.00 0.11 H new ATOM 0 HB ILE A 266 3.847 2.454 5.286 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.446 2.445 5.217 1.00 0.14 H new ATOM 0 HG13 ILE A 266 2.038 2.804 3.607 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.232 2.063 2.872 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.231 0.991 3.882 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.771 0.357 3.084 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.154 1.247 3.522 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.637 0.466 2.924 1.00 0.16 H new ATOM 0 HD13 ILE A 266 1.037 0.101 4.559 1.00 0.16 H new ATOM 319 N VAL A 267 5.359 -0.824 6.314 1.00 0.12 N ATOM 320 CA VAL A 267 6.654 -1.054 6.933 1.00 0.14 C ATOM 321 C VAL A 267 7.767 -0.954 5.897 1.00 0.14 C ATOM 322 O VAL A 267 7.921 -1.835 5.049 1.00 0.23 O ATOM 323 CB VAL A 267 6.714 -2.436 7.619 1.00 0.24 C ATOM 324 CG1 VAL A 267 8.093 -2.693 8.215 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.640 -2.547 8.691 1.00 0.31 C ATOM 0 H VAL A 267 5.021 -1.598 5.742 1.00 0.12 H new ATOM 0 HA VAL A 267 6.794 -0.284 7.692 1.00 0.14 H new ATOM 0 HB VAL A 267 6.528 -3.197 6.861 1.00 0.24 H new ATOM 0 HG11 VAL A 267 8.106 -3.673 8.692 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.842 -2.664 7.424 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.318 -1.926 8.956 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.698 -3.528 9.164 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.794 -1.772 9.442 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.658 -2.421 8.236 1.00 0.31 H new ATOM 335 N GLY A 268 8.520 0.133 5.954 1.00 0.17 N ATOM 336 CA GLY A 268 9.614 0.327 5.025 1.00 0.23 C ATOM 337 C GLY A 268 10.894 -0.310 5.525 1.00 0.23 C ATOM 338 O GLY A 268 11.403 0.063 6.586 1.00 0.37 O ATOM 0 H GLY A 268 8.393 0.887 6.629 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.349 -0.099 4.057 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.775 1.394 4.870 1.00 0.23 H new ATOM 342 N GLN A 269 11.405 -1.275 4.774 1.00 0.27 N ATOM 343 CA GLN A 269 12.630 -1.976 5.144 1.00 0.34 C ATOM 344 C GLN A 269 13.817 -1.018 5.129 1.00 0.38 C ATOM 345 O GLN A 269 14.383 -0.727 4.073 1.00 0.50 O ATOM 346 CB GLN A 269 12.877 -3.147 4.190 1.00 0.49 C ATOM 347 CG GLN A 269 14.037 -4.037 4.601 1.00 0.67 C ATOM 348 CD GLN A 269 14.158 -5.275 3.732 1.00 1.19 C ATOM 349 OE1 GLN A 269 13.167 -5.780 3.204 1.00 1.81 O ATOM 350 NE2 GLN A 269 15.373 -5.779 3.583 1.00 1.87 N ATOM 0 H GLN A 269 10.988 -1.593 3.899 1.00 0.27 H new ATOM 0 HA GLN A 269 12.516 -2.367 6.155 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.972 -3.751 4.129 1.00 0.49 H new ATOM 0 HB3 GLN A 269 13.068 -2.756 3.191 1.00 0.49 H new ATOM 0 HG2 GLN A 269 14.965 -3.467 4.547 1.00 0.67 H new ATOM 0 HG3 GLN A 269 13.909 -4.338 5.641 1.00 0.67 H new ATOM 0 HE21 GLN A 269 16.170 -5.332 4.037 1.00 1.87 H new ATOM 0 HE22 GLN A 269 15.512 -6.614 3.015 1.00 1.87 H new ATOM 359 N SER A 270 14.185 -0.533 6.304 1.00 0.55 N ATOM 360 CA SER A 270 15.282 0.407 6.436 1.00 0.70 C ATOM 361 C SER A 270 16.578 -0.314 6.796 1.00 0.83 C ATOM 362 O SER A 270 16.928 -0.449 7.969 1.00 1.17 O ATOM 363 CB SER A 270 14.933 1.454 7.494 1.00 0.96 C ATOM 364 OG SER A 270 13.574 1.861 7.377 1.00 1.10 O ATOM 0 H SER A 270 13.735 -0.779 7.186 1.00 0.55 H new ATOM 0 HA SER A 270 15.437 0.905 5.479 1.00 0.70 H new ATOM 0 HB2 SER A 270 15.110 1.045 8.489 1.00 0.96 H new ATOM 0 HB3 SER A 270 15.587 2.319 7.385 1.00 0.96 H new ATOM 0 HG SER A 270 13.372 2.530 8.065 1.00 1.10 H new ATOM 370 N ASN A 271 17.278 -0.788 5.776 1.00 0.91 N ATOM 371 CA ASN A 271 18.536 -1.497 5.975 1.00 1.15 C ATOM 372 C ASN A 271 19.707 -0.547 5.788 1.00 1.04 C ATOM 373 O ASN A 271 19.515 0.650 5.569 1.00 1.29 O ATOM 374 CB ASN A 271 18.658 -2.666 4.988 1.00 1.43 C ATOM 375 CG ASN A 271 18.881 -3.999 5.679 1.00 2.09 C ATOM 376 OD1 ASN A 271 17.927 -4.658 6.088 1.00 2.75 O ATOM 377 ND2 ASN A 271 20.135 -4.415 5.805 1.00 2.37 N ATOM 0 H ASN A 271 16.997 -0.695 4.800 1.00 0.91 H new ATOM 0 HA ASN A 271 18.550 -1.891 6.991 1.00 1.15 H new ATOM 0 HB2 ASN A 271 17.752 -2.722 4.385 1.00 1.43 H new ATOM 0 HB3 ASN A 271 19.485 -2.474 4.304 1.00 1.43 H new ATOM 0 HD21 ASN A 271 20.333 -5.309 6.254 1.00 2.37 H new ATOM 0 HD22 ASN A 271 20.901 -3.840 5.453 1.00 2.37 H new ATOM 384 N ASP A 272 20.917 -1.085 5.864 1.00 1.04 N ATOM 385 CA ASP A 272 22.131 -0.291 5.683 1.00 1.02 C ATOM 386 C ASP A 272 22.213 0.228 4.252 1.00 1.00 C ATOM 387 O ASP A 272 22.896 1.211 3.970 1.00 1.14 O ATOM 388 CB ASP A 272 23.372 -1.130 5.997 1.00 1.26 C ATOM 389 CG ASP A 272 23.480 -2.352 5.108 1.00 1.61 C ATOM 390 OD1 ASP A 272 22.573 -3.207 5.163 1.00 2.08 O ATOM 391 OD2 ASP A 272 24.470 -2.464 4.353 1.00 1.91 O ATOM 0 H ASP A 272 21.087 -2.073 6.051 1.00 1.04 H new ATOM 0 HA ASP A 272 22.093 0.555 6.370 1.00 1.02 H new ATOM 0 HB2 ASP A 272 24.264 -0.515 5.875 1.00 1.26 H new ATOM 0 HB3 ASP A 272 23.341 -1.444 7.040 1.00 1.26 H new ATOM 396 N ARG A 273 21.498 -0.441 3.357 1.00 1.07 N ATOM 397 CA ARG A 273 21.467 -0.062 1.952 1.00 1.28 C ATOM 398 C ARG A 273 20.480 1.083 1.733 1.00 1.10 C ATOM 399 O ARG A 273 20.423 1.668 0.654 1.00 1.41 O ATOM 400 CB ARG A 273 21.072 -1.269 1.092 1.00 1.59 C ATOM 401 CG ARG A 273 21.753 -1.307 -0.268 1.00 1.84 C ATOM 402 CD ARG A 273 20.884 -0.695 -1.358 1.00 1.60 C ATOM 403 NE ARG A 273 21.520 -0.778 -2.672 1.00 1.78 N ATOM 404 CZ ARG A 273 21.030 -0.223 -3.780 1.00 2.01 C ATOM 405 NH1 ARG A 273 19.901 0.473 -3.743 1.00 1.92 N ATOM 406 NH2 ARG A 273 21.675 -0.370 -4.931 1.00 2.63 N ATOM 0 H ARG A 273 20.927 -1.256 3.583 1.00 1.07 H new ATOM 0 HA ARG A 273 22.461 0.274 1.658 1.00 1.28 H new ATOM 0 HB2 ARG A 273 21.314 -2.183 1.634 1.00 1.59 H new ATOM 0 HB3 ARG A 273 19.992 -1.261 0.946 1.00 1.59 H new ATOM 0 HG2 ARG A 273 22.700 -0.769 -0.215 1.00 1.84 H new ATOM 0 HG3 ARG A 273 21.987 -2.339 -0.528 1.00 1.84 H new ATOM 0 HD2 ARG A 273 19.923 -1.208 -1.387 1.00 1.60 H new ATOM 0 HD3 ARG A 273 20.681 0.349 -1.118 1.00 1.60 H new ATOM 0 HE ARG A 273 22.396 -1.295 -2.745 1.00 1.78 H new ATOM 0 HH11 ARG A 273 19.401 0.587 -2.861 1.00 1.92 H new ATOM 0 HH12 ARG A 273 19.533 0.894 -4.596 1.00 1.92 H new ATOM 0 HH21 ARG A 273 22.542 -0.906 -4.965 1.00 2.63 H new ATOM 0 HH22 ARG A 273 21.303 0.053 -5.781 1.00 2.63 H new ATOM 420 N GLY A 274 19.711 1.404 2.766 1.00 0.89 N ATOM 421 CA GLY A 274 18.733 2.468 2.660 1.00 0.89 C ATOM 422 C GLY A 274 17.389 1.953 2.190 1.00 0.72 C ATOM 423 O GLY A 274 16.493 1.703 2.999 1.00 0.97 O ATOM 0 H GLY A 274 19.748 0.945 3.676 1.00 0.89 H new ATOM 0 HA2 GLY A 274 18.617 2.953 3.629 1.00 0.89 H new ATOM 0 HA3 GLY A 274 19.095 3.226 1.965 1.00 0.89 H new ATOM 427 N ASP A 275 17.260 1.770 0.886 1.00 0.65 N ATOM 428 CA ASP A 275 16.023 1.280 0.298 1.00 0.66 C ATOM 429 C ASP A 275 15.926 -0.232 0.448 1.00 0.69 C ATOM 430 O ASP A 275 16.941 -0.924 0.583 1.00 1.44 O ATOM 431 CB ASP A 275 15.933 1.673 -1.182 1.00 0.91 C ATOM 432 CG ASP A 275 16.986 0.999 -2.043 1.00 1.10 C ATOM 433 OD1 ASP A 275 18.192 1.218 -1.802 1.00 1.75 O ATOM 434 OD2 ASP A 275 16.615 0.257 -2.980 1.00 1.53 O ATOM 0 H ASP A 275 18.002 1.955 0.210 1.00 0.65 H new ATOM 0 HA ASP A 275 15.188 1.739 0.828 1.00 0.66 H new ATOM 0 HB2 ASP A 275 14.944 1.416 -1.560 1.00 0.91 H new ATOM 0 HB3 ASP A 275 16.037 2.754 -1.271 1.00 0.91 H new ATOM 439 N GLY A 276 14.704 -0.736 0.438 1.00 0.48 N ATOM 440 CA GLY A 276 14.487 -2.161 0.578 1.00 0.43 C ATOM 441 C GLY A 276 13.104 -2.569 0.126 1.00 0.37 C ATOM 442 O GLY A 276 12.915 -3.657 -0.420 1.00 0.52 O ATOM 0 H GLY A 276 13.854 -0.182 0.335 1.00 0.48 H new ATOM 0 HA2 GLY A 276 15.233 -2.701 -0.005 1.00 0.43 H new ATOM 0 HA3 GLY A 276 14.628 -2.449 1.620 1.00 0.43 H new ATOM 446 N GLY A 277 12.133 -1.696 0.355 1.00 0.30 N ATOM 447 CA GLY A 277 10.773 -1.983 -0.042 1.00 0.29 C ATOM 448 C GLY A 277 9.794 -1.737 1.082 1.00 0.24 C ATOM 449 O GLY A 277 10.175 -1.753 2.256 1.00 0.27 O ATOM 0 H GLY A 277 12.265 -0.793 0.810 1.00 0.30 H new ATOM 0 HA2 GLY A 277 10.506 -1.363 -0.898 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.701 -3.021 -0.366 1.00 0.29 H new ATOM 453 N ILE A 278 8.541 -1.506 0.730 1.00 0.21 N ATOM 454 CA ILE A 278 7.504 -1.264 1.720 1.00 0.19 C ATOM 455 C ILE A 278 6.572 -2.467 1.815 1.00 0.18 C ATOM 456 O ILE A 278 5.905 -2.835 0.846 1.00 0.23 O ATOM 457 CB ILE A 278 6.692 0.011 1.404 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.343 0.087 -0.088 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.473 1.245 1.836 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.333 1.167 -0.414 1.00 0.27 C ATOM 0 H ILE A 278 8.216 -1.481 -0.236 1.00 0.21 H new ATOM 0 HA ILE A 278 7.998 -1.113 2.680 1.00 0.19 H new ATOM 0 HB ILE A 278 5.757 -0.028 1.962 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.254 0.268 -0.658 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.951 -0.877 -0.412 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.894 2.140 1.610 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.664 1.198 2.908 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.421 1.282 1.300 1.00 0.23 H new ATOM 0 HD11 ILE A 278 5.132 1.165 -1.485 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.408 0.976 0.129 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.732 2.138 -0.121 1.00 0.27 H new ATOM 472 N TYR A 279 6.546 -3.083 2.984 1.00 0.15 N ATOM 473 CA TYR A 279 5.723 -4.263 3.215 1.00 0.16 C ATOM 474 C TYR A 279 4.536 -3.938 4.111 1.00 0.15 C ATOM 475 O TYR A 279 4.604 -3.031 4.938 1.00 0.18 O ATOM 476 CB TYR A 279 6.560 -5.370 3.865 1.00 0.19 C ATOM 477 CG TYR A 279 7.829 -5.714 3.111 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.960 -4.906 3.202 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.899 -6.847 2.311 1.00 0.44 C ATOM 480 CE1 TYR A 279 10.118 -5.218 2.517 1.00 0.55 C ATOM 481 CE2 TYR A 279 9.058 -7.165 1.624 1.00 0.57 C ATOM 482 CZ TYR A 279 10.163 -6.347 1.730 1.00 0.55 C ATOM 483 OH TYR A 279 11.320 -6.658 1.050 1.00 0.72 O ATOM 0 H TYR A 279 7.089 -2.785 3.795 1.00 0.15 H new ATOM 0 HA TYR A 279 5.349 -4.603 2.250 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.824 -5.063 4.877 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.948 -6.268 3.953 1.00 0.19 H new ATOM 0 HD1 TYR A 279 8.931 -4.020 3.819 1.00 0.42 H new ATOM 0 HD2 TYR A 279 7.036 -7.490 2.223 1.00 0.44 H new ATOM 0 HE1 TYR A 279 10.985 -4.579 2.598 1.00 0.55 H new ATOM 0 HE2 TYR A 279 9.097 -8.051 1.007 1.00 0.57 H new ATOM 0 HH TYR A 279 12.096 -6.436 1.606 1.00 0.72 H new ATOM 493 N ILE A 280 3.452 -4.672 3.933 1.00 0.16 N ATOM 494 CA ILE A 280 2.256 -4.484 4.739 1.00 0.16 C ATOM 495 C ILE A 280 2.478 -5.039 6.140 1.00 0.17 C ATOM 496 O ILE A 280 2.721 -6.233 6.308 1.00 0.21 O ATOM 497 CB ILE A 280 1.035 -5.179 4.100 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.756 -4.603 2.707 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.195 -5.047 4.991 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.503 -3.110 2.701 1.00 0.24 C ATOM 0 H ILE A 280 3.374 -5.409 3.232 1.00 0.16 H new ATOM 0 HA ILE A 280 2.055 -3.414 4.794 1.00 0.16 H new ATOM 0 HB ILE A 280 1.265 -6.239 3.996 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.604 -4.821 2.058 1.00 0.21 H new ATOM 0 HG13 ILE A 280 -0.110 -5.110 2.281 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.042 -5.545 4.518 1.00 0.21 H new ATOM 0 HG22 ILE A 280 0.005 -5.509 5.958 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.429 -3.992 5.135 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.314 -2.777 1.680 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.364 -2.885 3.323 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.377 -2.591 3.096 1.00 0.24 H new ATOM 512 N GLY A 281 2.411 -4.164 7.133 1.00 0.20 N ATOM 513 CA GLY A 281 2.609 -4.574 8.508 1.00 0.23 C ATOM 514 C GLY A 281 1.435 -5.365 9.042 1.00 0.24 C ATOM 515 O GLY A 281 1.567 -6.539 9.377 1.00 0.42 O ATOM 0 H GLY A 281 2.221 -3.169 7.009 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.514 -5.177 8.579 1.00 0.23 H new ATOM 0 HA3 GLY A 281 2.764 -3.692 9.130 1.00 0.23 H new ATOM 519 N SER A 282 0.286 -4.720 9.131 1.00 0.25 N ATOM 520 CA SER A 282 -0.922 -5.365 9.619 1.00 0.29 C ATOM 521 C SER A 282 -2.144 -4.744 8.955 1.00 0.26 C ATOM 522 O SER A 282 -2.065 -3.638 8.411 1.00 0.30 O ATOM 523 CB SER A 282 -1.012 -5.237 11.140 1.00 0.35 C ATOM 524 OG SER A 282 0.021 -5.977 11.772 1.00 0.75 O ATOM 0 H SER A 282 0.163 -3.742 8.870 1.00 0.25 H new ATOM 0 HA SER A 282 -0.888 -6.425 9.366 1.00 0.29 H new ATOM 0 HB2 SER A 282 -0.940 -4.188 11.426 1.00 0.35 H new ATOM 0 HB3 SER A 282 -1.983 -5.595 11.482 1.00 0.35 H new ATOM 0 HG SER A 282 -0.055 -5.880 12.744 1.00 0.75 H new ATOM 530 N ILE A 283 -3.261 -5.455 8.997 1.00 0.24 N ATOM 531 CA ILE A 283 -4.494 -4.980 8.390 1.00 0.23 C ATOM 532 C ILE A 283 -5.545 -4.668 9.450 1.00 0.23 C ATOM 533 O ILE A 283 -5.832 -5.491 10.321 1.00 0.30 O ATOM 534 CB ILE A 283 -5.070 -6.021 7.407 1.00 0.27 C ATOM 535 CG1 ILE A 283 -4.013 -6.426 6.379 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.303 -5.464 6.710 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.420 -7.608 5.532 1.00 0.53 C ATOM 0 H ILE A 283 -3.338 -6.367 9.447 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.249 -4.068 7.846 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.361 -6.907 7.971 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.806 -5.577 5.728 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -3.084 -6.663 6.898 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.698 -6.209 6.020 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -7.062 -5.219 7.453 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -6.033 -4.564 6.157 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.624 -7.840 4.825 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.599 -8.471 6.173 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.332 -7.367 4.985 1.00 0.53 H new ATOM 549 N MET A 284 -6.108 -3.475 9.365 1.00 0.20 N ATOM 550 CA MET A 284 -7.132 -3.033 10.298 1.00 0.21 C ATOM 551 C MET A 284 -8.506 -3.470 9.812 1.00 0.22 C ATOM 552 O MET A 284 -8.938 -3.084 8.723 1.00 0.23 O ATOM 553 CB MET A 284 -7.102 -1.511 10.444 1.00 0.24 C ATOM 554 CG MET A 284 -5.848 -0.979 11.115 1.00 0.35 C ATOM 555 SD MET A 284 -5.973 -0.967 12.917 1.00 0.54 S ATOM 556 CE MET A 284 -5.188 -2.525 13.331 1.00 0.74 C ATOM 0 H MET A 284 -5.870 -2.787 8.650 1.00 0.20 H new ATOM 0 HA MET A 284 -6.931 -3.486 11.269 1.00 0.21 H new ATOM 0 HB2 MET A 284 -7.192 -1.060 9.456 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.972 -1.194 11.020 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.995 -1.589 10.818 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.654 0.034 10.762 1.00 0.35 H new ATOM 0 HE1 MET A 284 -4.610 -2.409 14.248 1.00 0.74 H new ATOM 0 HE2 MET A 284 -5.951 -3.289 13.477 1.00 0.74 H new ATOM 0 HE3 MET A 284 -4.525 -2.825 12.520 1.00 0.74 H new ATOM 566 N LYS A 285 -9.184 -4.281 10.616 1.00 0.28 N ATOM 567 CA LYS A 285 -10.513 -4.764 10.269 1.00 0.33 C ATOM 568 C LYS A 285 -11.485 -3.593 10.157 1.00 0.33 C ATOM 569 O LYS A 285 -11.718 -2.874 11.128 1.00 0.46 O ATOM 570 CB LYS A 285 -11.002 -5.771 11.312 1.00 0.43 C ATOM 571 CG LYS A 285 -12.239 -6.551 10.886 1.00 0.49 C ATOM 572 CD LYS A 285 -12.040 -7.239 9.543 1.00 0.63 C ATOM 573 CE LYS A 285 -13.089 -8.315 9.308 1.00 0.83 C ATOM 574 NZ LYS A 285 -14.474 -7.786 9.418 1.00 1.01 N ATOM 0 H LYS A 285 -8.834 -4.617 11.513 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.463 -5.267 9.303 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.198 -6.474 11.528 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.220 -5.241 12.239 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -12.477 -7.297 11.644 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -13.092 -5.875 10.825 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -12.090 -6.500 8.743 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -11.046 -7.684 9.505 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -12.946 -8.749 8.318 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -12.951 -9.118 10.032 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -15.147 -8.499 9.071 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -14.684 -7.567 10.413 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -14.562 -6.921 8.847 1.00 1.01 H new ATOM 588 N GLY A 286 -12.031 -3.400 8.966 1.00 0.33 N ATOM 589 CA GLY A 286 -12.951 -2.304 8.734 1.00 0.35 C ATOM 590 C GLY A 286 -12.506 -1.457 7.561 1.00 0.30 C ATOM 591 O GLY A 286 -13.291 -0.700 6.983 1.00 0.36 O ATOM 0 H GLY A 286 -11.852 -3.986 8.151 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -13.950 -2.698 8.544 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -13.017 -1.685 9.629 1.00 0.35 H new ATOM 595 N GLY A 287 -11.234 -1.589 7.210 1.00 0.26 N ATOM 596 CA GLY A 287 -10.687 -0.842 6.098 1.00 0.24 C ATOM 597 C GLY A 287 -10.984 -1.503 4.771 1.00 0.22 C ATOM 598 O GLY A 287 -11.541 -2.603 4.730 1.00 0.24 O ATOM 0 H GLY A 287 -10.569 -2.204 7.679 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -11.100 0.167 6.101 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.608 -0.746 6.222 1.00 0.24 H new ATOM 602 N ALA A 288 -10.613 -0.842 3.684 1.00 0.21 N ATOM 603 CA ALA A 288 -10.848 -1.371 2.350 1.00 0.22 C ATOM 604 C ALA A 288 -10.065 -2.662 2.118 1.00 0.22 C ATOM 605 O ALA A 288 -10.559 -3.593 1.483 1.00 0.25 O ATOM 606 CB ALA A 288 -10.483 -0.330 1.303 1.00 0.24 C ATOM 0 H ALA A 288 -10.146 0.065 3.701 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.908 -1.607 2.261 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.663 -0.736 0.308 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -11.094 0.561 1.447 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.430 -0.067 1.403 1.00 0.24 H new ATOM 612 N VAL A 289 -8.852 -2.718 2.657 1.00 0.20 N ATOM 613 CA VAL A 289 -7.993 -3.892 2.504 1.00 0.21 C ATOM 614 C VAL A 289 -8.558 -5.097 3.255 1.00 0.23 C ATOM 615 O VAL A 289 -8.488 -6.230 2.776 1.00 0.26 O ATOM 616 CB VAL A 289 -6.561 -3.603 3.008 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.656 -4.808 2.805 1.00 0.23 C ATOM 618 CG2 VAL A 289 -5.984 -2.383 2.306 1.00 0.20 C ATOM 0 H VAL A 289 -8.439 -1.964 3.205 1.00 0.20 H new ATOM 0 HA VAL A 289 -7.958 -4.124 1.440 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.616 -3.397 4.077 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.655 -4.576 3.168 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.054 -5.659 3.357 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.609 -5.053 1.744 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -4.975 -2.195 2.674 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -5.951 -2.563 1.232 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.612 -1.515 2.509 1.00 0.20 H new ATOM 628 N ALA A 290 -9.143 -4.838 4.418 1.00 0.23 N ATOM 629 CA ALA A 290 -9.712 -5.895 5.249 1.00 0.27 C ATOM 630 C ALA A 290 -10.923 -6.546 4.590 1.00 0.29 C ATOM 631 O ALA A 290 -11.283 -7.676 4.925 1.00 0.37 O ATOM 632 CB ALA A 290 -10.096 -5.339 6.610 1.00 0.29 C ATOM 0 H ALA A 290 -9.237 -3.901 4.810 1.00 0.23 H new ATOM 0 HA ALA A 290 -8.949 -6.664 5.372 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.519 -6.135 7.222 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.211 -4.936 7.101 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.834 -4.547 6.484 1.00 0.29 H new ATOM 638 N ALA A 291 -11.541 -5.838 3.653 1.00 0.29 N ATOM 639 CA ALA A 291 -12.715 -6.348 2.960 1.00 0.32 C ATOM 640 C ALA A 291 -12.320 -7.178 1.744 1.00 0.32 C ATOM 641 O ALA A 291 -13.140 -7.908 1.184 1.00 0.41 O ATOM 642 CB ALA A 291 -13.624 -5.201 2.545 1.00 0.38 C ATOM 0 H ALA A 291 -11.247 -4.907 3.356 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.257 -6.996 3.648 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.498 -5.598 2.028 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.945 -4.652 3.430 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -13.082 -4.530 1.879 1.00 0.38 H new ATOM 648 N ASP A 292 -11.063 -7.060 1.337 1.00 0.31 N ATOM 649 CA ASP A 292 -10.567 -7.801 0.186 1.00 0.32 C ATOM 650 C ASP A 292 -10.212 -9.230 0.585 1.00 0.30 C ATOM 651 O ASP A 292 -10.937 -10.169 0.253 1.00 0.38 O ATOM 652 CB ASP A 292 -9.357 -7.103 -0.428 1.00 0.37 C ATOM 653 CG ASP A 292 -8.685 -7.964 -1.472 1.00 0.43 C ATOM 654 OD1 ASP A 292 -9.343 -8.317 -2.472 1.00 0.55 O ATOM 655 OD2 ASP A 292 -7.509 -8.316 -1.279 1.00 0.45 O ATOM 0 H ASP A 292 -10.371 -6.460 1.785 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.357 -7.835 -0.564 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.670 -6.162 -0.879 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.641 -6.858 0.357 1.00 0.37 H new ATOM 660 N GLY A 293 -9.095 -9.397 1.283 1.00 0.29 N ATOM 661 CA GLY A 293 -8.698 -10.719 1.732 1.00 0.33 C ATOM 662 C GLY A 293 -7.507 -11.304 0.989 1.00 0.33 C ATOM 663 O GLY A 293 -6.976 -12.335 1.400 1.00 0.39 O ATOM 0 H GLY A 293 -8.459 -8.644 1.546 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.460 -10.672 2.795 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.546 -11.396 1.624 1.00 0.33 H new ATOM 667 N ARG A 294 -7.079 -10.674 -0.099 1.00 0.31 N ATOM 668 CA ARG A 294 -5.940 -11.182 -0.863 1.00 0.32 C ATOM 669 C ARG A 294 -4.638 -10.616 -0.312 1.00 0.30 C ATOM 670 O ARG A 294 -3.602 -11.289 -0.312 1.00 0.37 O ATOM 671 CB ARG A 294 -6.083 -10.846 -2.349 1.00 0.35 C ATOM 672 CG ARG A 294 -6.999 -11.802 -3.097 1.00 0.41 C ATOM 673 CD ARG A 294 -7.413 -11.245 -4.448 1.00 0.44 C ATOM 674 NE ARG A 294 -8.305 -10.095 -4.311 1.00 0.43 N ATOM 675 CZ ARG A 294 -9.066 -9.612 -5.290 1.00 0.54 C ATOM 676 NH1 ARG A 294 -9.044 -10.163 -6.497 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.852 -8.569 -5.058 1.00 0.58 N ATOM 0 H ARG A 294 -7.496 -9.821 -0.471 1.00 0.31 H new ATOM 0 HA ARG A 294 -5.920 -12.267 -0.763 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.468 -9.831 -2.449 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.097 -10.860 -2.814 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.492 -12.757 -3.237 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -7.888 -11.998 -2.497 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.525 -10.951 -5.008 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -7.911 -12.024 -5.025 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.347 -9.631 -3.403 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.440 -10.964 -6.681 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -9.631 -9.785 -7.241 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.871 -8.141 -4.132 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -10.437 -8.195 -5.805 1.00 0.58 H new ATOM 691 N ILE A 295 -4.691 -9.373 0.141 1.00 0.26 N ATOM 692 CA ILE A 295 -3.526 -8.720 0.716 1.00 0.25 C ATOM 693 C ILE A 295 -3.381 -9.152 2.171 1.00 0.25 C ATOM 694 O ILE A 295 -4.377 -9.256 2.891 1.00 0.29 O ATOM 695 CB ILE A 295 -3.640 -7.181 0.644 1.00 0.25 C ATOM 696 CG1 ILE A 295 -4.002 -6.736 -0.776 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.340 -6.524 1.092 1.00 0.27 C ATOM 698 CD1 ILE A 295 -4.497 -5.310 -0.855 1.00 0.37 C ATOM 0 H ILE A 295 -5.531 -8.795 0.121 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.649 -9.016 0.140 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.435 -6.865 1.319 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -3.126 -6.844 -1.416 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -4.770 -7.401 -1.172 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.441 -5.440 1.034 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.121 -6.813 2.120 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.526 -6.848 0.443 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.734 -5.064 -1.890 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -5.392 -5.201 -0.242 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.723 -4.635 -0.490 1.00 0.37 H new ATOM 710 N GLU A 296 -2.153 -9.420 2.591 1.00 0.24 N ATOM 711 CA GLU A 296 -1.885 -9.849 3.956 1.00 0.26 C ATOM 712 C GLU A 296 -0.552 -9.282 4.451 1.00 0.24 C ATOM 713 O GLU A 296 0.265 -8.818 3.655 1.00 0.22 O ATOM 714 CB GLU A 296 -1.874 -11.380 4.023 1.00 0.31 C ATOM 715 CG GLU A 296 -0.701 -12.017 3.302 1.00 0.36 C ATOM 716 CD GLU A 296 -0.903 -13.497 3.083 1.00 0.49 C ATOM 717 OE1 GLU A 296 -0.582 -14.287 3.993 1.00 0.69 O ATOM 718 OE2 GLU A 296 -1.392 -13.877 2.000 1.00 0.56 O ATOM 0 H GLU A 296 -1.323 -9.347 2.003 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.674 -9.469 4.605 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -1.857 -11.688 5.068 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -2.801 -11.760 3.594 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.557 -11.525 2.340 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.209 -11.858 3.880 1.00 0.36 H new ATOM 725 N PRO A 297 -0.328 -9.283 5.781 1.00 0.26 N ATOM 726 CA PRO A 297 0.918 -8.788 6.372 1.00 0.27 C ATOM 727 C PRO A 297 2.130 -9.504 5.786 1.00 0.27 C ATOM 728 O PRO A 297 2.276 -10.717 5.923 1.00 0.41 O ATOM 729 CB PRO A 297 0.761 -9.110 7.862 1.00 0.32 C ATOM 730 CG PRO A 297 -0.706 -9.196 8.085 1.00 0.34 C ATOM 731 CD PRO A 297 -1.271 -9.757 6.813 1.00 0.32 C ATOM 0 HA PRO A 297 1.083 -7.728 6.180 1.00 0.27 H new ATOM 0 HB2 PRO A 297 1.255 -10.048 8.117 1.00 0.32 H new ATOM 0 HB3 PRO A 297 1.210 -8.334 8.483 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -0.937 -9.839 8.934 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.128 -8.215 8.303 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.321 -10.845 6.842 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.283 -9.396 6.629 1.00 0.32 H new ATOM 739 N GLY A 298 2.990 -8.749 5.127 1.00 0.27 N ATOM 740 CA GLY A 298 4.161 -9.329 4.511 1.00 0.28 C ATOM 741 C GLY A 298 4.225 -8.997 3.037 1.00 0.25 C ATOM 742 O GLY A 298 5.303 -8.986 2.442 1.00 0.29 O ATOM 0 H GLY A 298 2.898 -7.740 5.007 1.00 0.27 H new ATOM 0 HA2 GLY A 298 5.058 -8.960 5.009 1.00 0.28 H new ATOM 0 HA3 GLY A 298 4.146 -10.411 4.642 1.00 0.28 H new ATOM 746 N ASP A 299 3.060 -8.727 2.453 1.00 0.22 N ATOM 747 CA ASP A 299 2.969 -8.373 1.039 1.00 0.22 C ATOM 748 C ASP A 299 3.682 -7.053 0.794 1.00 0.20 C ATOM 749 O ASP A 299 3.528 -6.106 1.568 1.00 0.21 O ATOM 750 CB ASP A 299 1.505 -8.245 0.595 1.00 0.24 C ATOM 751 CG ASP A 299 0.760 -9.569 0.555 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.404 -10.635 0.598 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.483 -9.549 0.475 1.00 0.28 O ATOM 0 H ASP A 299 2.163 -8.747 2.939 1.00 0.22 H new ATOM 0 HA ASP A 299 3.441 -9.166 0.460 1.00 0.22 H new ATOM 0 HB2 ASP A 299 0.987 -7.567 1.273 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.473 -7.791 -0.395 1.00 0.24 H new ATOM 758 N MET A 300 4.469 -6.989 -0.265 1.00 0.21 N ATOM 759 CA MET A 300 5.198 -5.770 -0.584 1.00 0.21 C ATOM 760 C MET A 300 4.453 -4.952 -1.632 1.00 0.19 C ATOM 761 O MET A 300 4.034 -5.481 -2.662 1.00 0.21 O ATOM 762 CB MET A 300 6.610 -6.102 -1.072 1.00 0.27 C ATOM 763 CG MET A 300 7.451 -4.871 -1.383 1.00 0.32 C ATOM 764 SD MET A 300 9.181 -5.262 -1.703 1.00 0.50 S ATOM 765 CE MET A 300 9.018 -6.417 -3.060 1.00 1.26 C ATOM 0 H MET A 300 4.621 -7.760 -0.916 1.00 0.21 H new ATOM 0 HA MET A 300 5.275 -5.173 0.325 1.00 0.21 H new ATOM 0 HB2 MET A 300 7.118 -6.697 -0.313 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.540 -6.720 -1.967 1.00 0.27 H new ATOM 0 HG2 MET A 300 7.033 -4.362 -2.251 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.390 -4.175 -0.546 1.00 0.32 H new ATOM 0 HE1 MET A 300 9.768 -6.195 -3.819 1.00 1.26 H new ATOM 0 HE2 MET A 300 9.164 -7.433 -2.693 1.00 1.26 H new ATOM 0 HE3 MET A 300 8.023 -6.328 -3.496 1.00 1.26 H new ATOM 775 N LEU A 301 4.289 -3.666 -1.358 1.00 0.19 N ATOM 776 CA LEU A 301 3.605 -2.768 -2.277 1.00 0.19 C ATOM 777 C LEU A 301 4.549 -2.331 -3.388 1.00 0.20 C ATOM 778 O LEU A 301 5.640 -1.826 -3.121 1.00 0.24 O ATOM 779 CB LEU A 301 3.078 -1.538 -1.535 1.00 0.23 C ATOM 780 CG LEU A 301 1.758 -1.732 -0.792 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.557 -0.614 0.217 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.593 -1.777 -1.772 1.00 0.47 C ATOM 0 H LEU A 301 4.622 -3.220 -0.503 1.00 0.19 H new ATOM 0 HA LEU A 301 2.762 -3.304 -2.714 1.00 0.19 H new ATOM 0 HB2 LEU A 301 3.834 -1.216 -0.819 1.00 0.23 H new ATOM 0 HB3 LEU A 301 2.954 -0.728 -2.253 1.00 0.23 H new ATOM 0 HG LEU A 301 1.795 -2.683 -0.260 1.00 0.33 H new ATOM 0 HD11 LEU A 301 0.613 -0.762 0.741 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.376 -0.621 0.936 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.538 0.345 -0.301 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.339 -1.916 -1.224 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.550 -0.841 -2.329 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.733 -2.606 -2.465 1.00 0.47 H new ATOM 794 N LEU A 302 4.140 -2.537 -4.630 1.00 0.20 N ATOM 795 CA LEU A 302 4.960 -2.155 -5.767 1.00 0.22 C ATOM 796 C LEU A 302 4.401 -0.905 -6.429 1.00 0.22 C ATOM 797 O LEU A 302 4.960 0.183 -6.309 1.00 0.29 O ATOM 798 CB LEU A 302 5.023 -3.288 -6.795 1.00 0.27 C ATOM 799 CG LEU A 302 5.425 -4.659 -6.258 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.268 -5.707 -7.348 1.00 0.53 C ATOM 801 CD2 LEU A 302 6.854 -4.635 -5.734 1.00 0.46 C ATOM 0 H LEU A 302 3.247 -2.965 -4.875 1.00 0.20 H new ATOM 0 HA LEU A 302 5.966 -1.951 -5.401 1.00 0.22 H new ATOM 0 HB2 LEU A 302 4.045 -3.378 -7.267 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.729 -3.004 -7.576 1.00 0.27 H new ATOM 0 HG LEU A 302 4.769 -4.917 -5.427 1.00 0.37 H new ATOM 0 HD11 LEU A 302 5.557 -6.683 -6.958 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.229 -5.739 -7.675 1.00 0.53 H new ATOM 0 HD13 LEU A 302 5.906 -5.451 -8.194 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.120 -5.622 -5.356 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.533 -4.361 -6.541 1.00 0.46 H new ATOM 0 HD23 LEU A 302 6.934 -3.905 -4.929 1.00 0.46 H new ATOM 813 N GLN A 303 3.277 -1.067 -7.107 1.00 0.21 N ATOM 814 CA GLN A 303 2.641 0.034 -7.809 1.00 0.22 C ATOM 815 C GLN A 303 1.264 0.327 -7.229 1.00 0.21 C ATOM 816 O GLN A 303 0.468 -0.585 -6.992 1.00 0.25 O ATOM 817 CB GLN A 303 2.535 -0.304 -9.298 1.00 0.27 C ATOM 818 CG GLN A 303 1.784 0.731 -10.121 1.00 0.32 C ATOM 819 CD GLN A 303 1.694 0.356 -11.588 1.00 0.51 C ATOM 820 OE1 GLN A 303 2.720 -0.313 -12.093 1.00 0.68 O flip ATOM 821 NE2 GLN A 303 0.711 0.662 -12.261 1.00 0.73 N flip ATOM 0 H GLN A 303 2.784 -1.956 -7.186 1.00 0.21 H new ATOM 0 HA GLN A 303 3.251 0.929 -7.685 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.540 -0.417 -9.706 1.00 0.27 H new ATOM 0 HB3 GLN A 303 2.037 -1.268 -9.406 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.778 0.850 -9.718 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.282 1.696 -10.026 1.00 0.32 H new ATOM 0 HE21 GLN A 303 -0.059 1.178 -11.834 1.00 0.73 H new ATOM 0 HE22 GLN A 303 0.666 0.400 -13.246 1.00 0.73 H new ATOM 830 N VAL A 304 0.990 1.601 -6.999 1.00 0.20 N ATOM 831 CA VAL A 304 -0.288 2.026 -6.452 1.00 0.21 C ATOM 832 C VAL A 304 -0.894 3.118 -7.323 1.00 0.22 C ATOM 833 O VAL A 304 -0.459 4.263 -7.285 1.00 0.26 O ATOM 834 CB VAL A 304 -0.150 2.550 -5.006 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.488 3.059 -4.486 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.404 1.465 -4.093 1.00 0.27 C ATOM 0 H VAL A 304 1.641 2.364 -7.184 1.00 0.20 H new ATOM 0 HA VAL A 304 -0.940 1.153 -6.438 1.00 0.21 H new ATOM 0 HB VAL A 304 0.552 3.384 -5.011 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.367 3.423 -3.466 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.840 3.871 -5.122 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.215 2.247 -4.498 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.494 1.854 -3.079 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.270 0.609 -4.095 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.386 1.155 -4.451 1.00 0.27 H new ATOM 846 N ASN A 305 -1.895 2.744 -8.111 1.00 0.27 N ATOM 847 CA ASN A 305 -2.581 3.678 -9.002 1.00 0.33 C ATOM 848 C ASN A 305 -1.616 4.311 -10.009 1.00 0.31 C ATOM 849 O ASN A 305 -1.293 5.496 -9.915 1.00 0.34 O ATOM 850 CB ASN A 305 -3.309 4.768 -8.201 1.00 0.39 C ATOM 851 CG ASN A 305 -4.796 4.486 -8.056 1.00 0.78 C ATOM 852 OD1 ASN A 305 -5.235 3.338 -8.161 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.579 5.525 -7.805 1.00 1.14 N ATOM 0 H ASN A 305 -2.254 1.790 -8.152 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.321 3.106 -9.562 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -2.859 4.849 -7.211 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -3.171 5.730 -8.694 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.584 5.391 -7.691 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -5.177 6.459 -7.725 1.00 1.14 H new ATOM 860 N ASP A 306 -1.136 3.482 -10.937 1.00 0.32 N ATOM 861 CA ASP A 306 -0.233 3.900 -12.023 1.00 0.35 C ATOM 862 C ASP A 306 1.204 4.169 -11.572 1.00 0.31 C ATOM 863 O ASP A 306 2.147 3.744 -12.243 1.00 0.35 O ATOM 864 CB ASP A 306 -0.779 5.126 -12.761 1.00 0.42 C ATOM 865 CG ASP A 306 -1.582 4.746 -13.984 1.00 0.66 C ATOM 866 OD1 ASP A 306 -0.975 4.360 -15.006 1.00 1.06 O ATOM 867 OD2 ASP A 306 -2.829 4.827 -13.927 1.00 1.11 O ATOM 0 H ASP A 306 -1.363 2.488 -10.960 1.00 0.32 H new ATOM 0 HA ASP A 306 -0.196 3.047 -12.701 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.405 5.707 -12.084 1.00 0.42 H new ATOM 0 HB3 ASP A 306 0.050 5.768 -13.058 1.00 0.42 H new ATOM 872 N VAL A 307 1.384 4.874 -10.461 1.00 0.30 N ATOM 873 CA VAL A 307 2.730 5.186 -9.984 1.00 0.29 C ATOM 874 C VAL A 307 3.386 3.985 -9.312 1.00 0.25 C ATOM 875 O VAL A 307 2.817 3.354 -8.417 1.00 0.28 O ATOM 876 CB VAL A 307 2.757 6.402 -9.031 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.551 7.691 -9.812 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.714 6.276 -7.933 1.00 0.53 C ATOM 0 H VAL A 307 0.628 5.237 -9.880 1.00 0.30 H new ATOM 0 HA VAL A 307 3.305 5.446 -10.873 1.00 0.29 H new ATOM 0 HB VAL A 307 3.737 6.428 -8.555 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.572 8.539 -9.127 1.00 0.71 H new ATOM 0 HG12 VAL A 307 3.346 7.800 -10.550 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.587 7.659 -10.319 1.00 0.71 H new ATOM 0 HG21 VAL A 307 1.763 7.149 -7.283 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.722 6.211 -8.379 1.00 0.53 H new ATOM 0 HG23 VAL A 307 1.908 5.377 -7.348 1.00 0.53 H new ATOM 888 N ASN A 308 4.587 3.667 -9.771 1.00 0.25 N ATOM 889 CA ASN A 308 5.354 2.546 -9.246 1.00 0.25 C ATOM 890 C ASN A 308 6.362 3.033 -8.213 1.00 0.24 C ATOM 891 O ASN A 308 7.108 3.979 -8.462 1.00 0.33 O ATOM 892 CB ASN A 308 6.069 1.835 -10.395 1.00 0.33 C ATOM 893 CG ASN A 308 6.693 0.520 -9.982 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.256 -0.111 -9.024 1.00 0.58 O ATOM 895 ND2 ASN A 308 7.720 0.095 -10.703 1.00 0.74 N ATOM 0 H ASN A 308 5.058 4.178 -10.518 1.00 0.25 H new ATOM 0 HA ASN A 308 4.677 1.845 -8.758 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.358 1.656 -11.202 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.845 2.489 -10.793 1.00 0.33 H new ATOM 0 HD21 ASN A 308 8.177 -0.786 -10.469 1.00 0.74 H new ATOM 0 HD22 ASN A 308 8.053 0.649 -11.492 1.00 0.74 H new ATOM 902 N PHE A 309 6.389 2.384 -7.056 1.00 0.22 N ATOM 903 CA PHE A 309 7.297 2.777 -5.984 1.00 0.24 C ATOM 904 C PHE A 309 8.525 1.872 -5.921 1.00 0.26 C ATOM 905 O PHE A 309 9.381 2.048 -5.055 1.00 0.30 O ATOM 906 CB PHE A 309 6.576 2.748 -4.633 1.00 0.28 C ATOM 907 CG PHE A 309 5.358 3.629 -4.571 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.394 4.924 -5.064 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.178 3.161 -4.020 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.277 5.734 -5.009 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.056 3.966 -3.962 1.00 0.33 C ATOM 912 CZ PHE A 309 3.105 5.253 -4.456 1.00 0.33 C ATOM 0 H PHE A 309 5.795 1.585 -6.835 1.00 0.22 H new ATOM 0 HA PHE A 309 7.630 3.792 -6.201 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.282 1.722 -4.412 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.274 3.054 -3.854 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.307 5.304 -5.497 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.133 2.155 -3.631 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.319 6.741 -5.397 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.141 3.588 -3.530 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.229 5.884 -4.411 1.00 0.33 H new ATOM 922 N GLU A 310 8.612 0.923 -6.848 1.00 0.29 N ATOM 923 CA GLU A 310 9.733 -0.021 -6.893 1.00 0.33 C ATOM 924 C GLU A 310 11.078 0.688 -7.023 1.00 0.35 C ATOM 925 O GLU A 310 12.106 0.171 -6.585 1.00 0.47 O ATOM 926 CB GLU A 310 9.577 -0.983 -8.070 1.00 0.40 C ATOM 927 CG GLU A 310 8.483 -2.026 -7.901 1.00 0.54 C ATOM 928 CD GLU A 310 8.277 -2.843 -9.163 1.00 0.67 C ATOM 929 OE1 GLU A 310 8.948 -2.547 -10.176 1.00 1.21 O ATOM 930 OE2 GLU A 310 7.450 -3.779 -9.156 1.00 1.04 O ATOM 0 H GLU A 310 7.918 0.784 -7.583 1.00 0.29 H new ATOM 0 HA GLU A 310 9.716 -0.568 -5.951 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.371 -0.403 -8.970 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.526 -1.495 -8.231 1.00 0.40 H new ATOM 0 HG2 GLU A 310 8.740 -2.691 -7.077 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.549 -1.532 -7.633 1.00 0.54 H new ATOM 937 N ASN A 311 11.075 1.870 -7.624 1.00 0.35 N ATOM 938 CA ASN A 311 12.311 2.621 -7.827 1.00 0.41 C ATOM 939 C ASN A 311 12.376 3.852 -6.931 1.00 0.37 C ATOM 940 O ASN A 311 13.138 4.782 -7.198 1.00 0.48 O ATOM 941 CB ASN A 311 12.433 3.047 -9.294 1.00 0.54 C ATOM 942 CG ASN A 311 13.682 2.499 -9.960 1.00 0.89 C ATOM 943 OD1 ASN A 311 14.667 2.177 -9.297 1.00 1.27 O ATOM 944 ND2 ASN A 311 13.653 2.397 -11.282 1.00 1.32 N ATOM 0 H ASN A 311 10.236 2.330 -7.979 1.00 0.35 H new ATOM 0 HA ASN A 311 13.141 1.966 -7.563 1.00 0.41 H new ATOM 0 HB2 ASN A 311 11.554 2.706 -9.842 1.00 0.54 H new ATOM 0 HB3 ASN A 311 12.442 4.135 -9.353 1.00 0.54 H new ATOM 0 HD21 ASN A 311 14.466 2.041 -11.784 1.00 1.32 H new ATOM 0 HD22 ASN A 311 12.817 2.674 -11.797 1.00 1.32 H new ATOM 951 N MET A 312 11.593 3.855 -5.862 1.00 0.30 N ATOM 952 CA MET A 312 11.567 4.987 -4.947 1.00 0.28 C ATOM 953 C MET A 312 12.013 4.572 -3.550 1.00 0.26 C ATOM 954 O MET A 312 12.108 3.381 -3.245 1.00 0.34 O ATOM 955 CB MET A 312 10.162 5.595 -4.902 1.00 0.28 C ATOM 956 CG MET A 312 9.745 6.237 -6.215 1.00 0.39 C ATOM 957 SD MET A 312 8.068 6.901 -6.176 1.00 0.37 S ATOM 958 CE MET A 312 8.242 8.204 -4.958 1.00 0.51 C ATOM 0 H MET A 312 10.969 3.089 -5.607 1.00 0.30 H new ATOM 0 HA MET A 312 12.266 5.739 -5.313 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.445 4.817 -4.642 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.122 6.343 -4.110 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.442 7.039 -6.458 1.00 0.39 H new ATOM 0 HG3 MET A 312 9.819 5.499 -7.013 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.660 9.072 -5.268 1.00 0.51 H new ATOM 0 HE2 MET A 312 7.880 7.850 -3.993 1.00 0.51 H new ATOM 0 HE3 MET A 312 9.292 8.483 -4.871 1.00 0.51 H new ATOM 968 N SER A 313 12.294 5.561 -2.709 1.00 0.26 N ATOM 969 CA SER A 313 12.735 5.306 -1.344 1.00 0.28 C ATOM 970 C SER A 313 11.555 4.870 -0.477 1.00 0.24 C ATOM 971 O SER A 313 10.398 5.089 -0.839 1.00 0.26 O ATOM 972 CB SER A 313 13.394 6.559 -0.758 1.00 0.36 C ATOM 973 OG SER A 313 12.614 7.717 -1.013 1.00 0.97 O ATOM 0 H SER A 313 12.224 6.550 -2.950 1.00 0.26 H new ATOM 0 HA SER A 313 13.469 4.501 -1.359 1.00 0.28 H new ATOM 0 HB2 SER A 313 13.525 6.435 0.317 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.388 6.685 -1.188 1.00 0.36 H new ATOM 0 HG SER A 313 13.057 8.501 -0.627 1.00 0.97 H new ATOM 979 N ASN A 314 11.847 4.269 0.673 1.00 0.26 N ATOM 980 CA ASN A 314 10.799 3.799 1.576 1.00 0.27 C ATOM 981 C ASN A 314 9.933 4.960 2.046 1.00 0.25 C ATOM 982 O ASN A 314 8.707 4.858 2.083 1.00 0.33 O ATOM 983 CB ASN A 314 11.395 3.097 2.800 1.00 0.35 C ATOM 984 CG ASN A 314 12.389 2.001 2.454 1.00 0.37 C ATOM 985 OD1 ASN A 314 12.227 1.266 1.478 1.00 0.45 O ATOM 986 ND2 ASN A 314 13.433 1.885 3.261 1.00 0.48 N ATOM 0 H ASN A 314 12.797 4.096 1.002 1.00 0.26 H new ATOM 0 HA ASN A 314 10.188 3.088 1.020 1.00 0.27 H new ATOM 0 HB2 ASN A 314 11.890 3.838 3.428 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.586 2.668 3.391 1.00 0.35 H new ATOM 0 HD21 ASN A 314 14.137 1.169 3.084 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.533 2.512 4.059 1.00 0.48 H new ATOM 993 N ASP A 315 10.583 6.067 2.396 1.00 0.26 N ATOM 994 CA ASP A 315 9.884 7.255 2.878 1.00 0.28 C ATOM 995 C ASP A 315 8.975 7.835 1.801 1.00 0.23 C ATOM 996 O ASP A 315 7.766 7.974 2.003 1.00 0.24 O ATOM 997 CB ASP A 315 10.876 8.335 3.322 1.00 0.37 C ATOM 998 CG ASP A 315 11.893 7.843 4.331 1.00 0.83 C ATOM 999 OD1 ASP A 315 11.541 7.684 5.519 1.00 1.36 O ATOM 1000 OD2 ASP A 315 13.058 7.628 3.939 1.00 1.40 O ATOM 0 H ASP A 315 11.597 6.166 2.354 1.00 0.26 H new ATOM 0 HA ASP A 315 9.280 6.945 3.730 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.400 8.718 2.446 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.323 9.170 3.753 1.00 0.37 H new ATOM 1005 N ASP A 316 9.565 8.154 0.653 1.00 0.23 N ATOM 1006 CA ASP A 316 8.832 8.752 -0.461 1.00 0.24 C ATOM 1007 C ASP A 316 7.685 7.872 -0.938 1.00 0.19 C ATOM 1008 O ASP A 316 6.631 8.382 -1.321 1.00 0.20 O ATOM 1009 CB ASP A 316 9.773 9.055 -1.626 1.00 0.32 C ATOM 1010 CG ASP A 316 10.332 10.463 -1.568 1.00 0.50 C ATOM 1011 OD1 ASP A 316 9.678 11.345 -0.967 1.00 0.69 O ATOM 1012 OD2 ASP A 316 11.421 10.699 -2.133 1.00 0.88 O ATOM 0 H ASP A 316 10.557 8.007 0.468 1.00 0.23 H new ATOM 0 HA ASP A 316 8.402 9.683 -0.091 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.596 8.340 -1.620 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.239 8.918 -2.566 1.00 0.32 H new ATOM 1017 N ALA A 317 7.888 6.558 -0.914 1.00 0.17 N ATOM 1018 CA ALA A 317 6.861 5.614 -1.348 1.00 0.16 C ATOM 1019 C ALA A 317 5.569 5.794 -0.555 1.00 0.14 C ATOM 1020 O ALA A 317 4.482 5.887 -1.130 1.00 0.17 O ATOM 1021 CB ALA A 317 7.368 4.184 -1.217 1.00 0.20 C ATOM 0 H ALA A 317 8.754 6.122 -0.599 1.00 0.17 H new ATOM 0 HA ALA A 317 6.641 5.817 -2.396 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.592 3.492 -1.544 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.255 4.054 -1.837 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.620 3.981 -0.176 1.00 0.20 H new ATOM 1027 N VAL A 318 5.691 5.873 0.764 1.00 0.12 N ATOM 1028 CA VAL A 318 4.520 6.035 1.620 1.00 0.12 C ATOM 1029 C VAL A 318 3.964 7.449 1.526 1.00 0.11 C ATOM 1030 O VAL A 318 2.757 7.655 1.653 1.00 0.14 O ATOM 1031 CB VAL A 318 4.817 5.705 3.097 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.525 5.430 3.848 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.763 4.519 3.205 1.00 0.21 C ATOM 0 H VAL A 318 6.580 5.828 1.262 1.00 0.12 H new ATOM 0 HA VAL A 318 3.779 5.324 1.256 1.00 0.12 H new ATOM 0 HB VAL A 318 5.304 6.568 3.551 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.751 5.199 4.889 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.884 6.310 3.803 1.00 0.18 H new ATOM 0 HG13 VAL A 318 3.012 4.584 3.392 1.00 0.18 H new ATOM 0 HG21 VAL A 318 5.959 4.304 4.256 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.308 3.647 2.735 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.701 4.755 2.702 1.00 0.21 H new ATOM 1043 N ARG A 319 4.846 8.420 1.297 1.00 0.12 N ATOM 1044 CA ARG A 319 4.435 9.818 1.171 1.00 0.16 C ATOM 1045 C ARG A 319 3.400 9.963 0.061 1.00 0.14 C ATOM 1046 O ARG A 319 2.360 10.600 0.245 1.00 0.22 O ATOM 1047 CB ARG A 319 5.642 10.718 0.885 1.00 0.21 C ATOM 1048 CG ARG A 319 6.569 10.895 2.075 1.00 0.35 C ATOM 1049 CD ARG A 319 7.766 11.765 1.724 1.00 0.40 C ATOM 1050 NE ARG A 319 8.696 11.894 2.845 1.00 0.50 N ATOM 1051 CZ ARG A 319 10.010 12.057 2.710 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.571 12.051 1.504 1.00 0.83 N ATOM 1053 NH2 ARG A 319 10.770 12.203 3.788 1.00 0.81 N ATOM 0 H ARG A 319 5.849 8.265 1.195 1.00 0.12 H new ATOM 0 HA ARG A 319 3.990 10.130 2.116 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.208 10.297 0.054 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.286 11.697 0.565 1.00 0.21 H new ATOM 0 HG2 ARG A 319 6.020 11.346 2.901 1.00 0.35 H new ATOM 0 HG3 ARG A 319 6.915 9.919 2.417 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.287 11.337 0.868 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.420 12.754 1.424 1.00 0.40 H new ATOM 0 HE ARG A 319 8.314 11.857 3.790 1.00 0.50 H new ATOM 0 HH11 ARG A 319 9.993 11.921 0.673 1.00 0.83 H new ATOM 0 HH12 ARG A 319 11.579 12.177 1.410 1.00 0.83 H new ATOM 0 HH21 ARG A 319 10.347 12.190 4.716 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.777 12.328 3.689 1.00 0.81 H new ATOM 1067 N VAL A 320 3.685 9.352 -1.084 1.00 0.10 N ATOM 1068 CA VAL A 320 2.776 9.400 -2.222 1.00 0.10 C ATOM 1069 C VAL A 320 1.540 8.552 -1.942 1.00 0.09 C ATOM 1070 O VAL A 320 0.422 8.922 -2.299 1.00 0.11 O ATOM 1071 CB VAL A 320 3.456 8.902 -3.519 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.538 9.080 -4.721 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.781 9.617 -3.747 1.00 0.17 C ATOM 0 H VAL A 320 4.538 8.818 -1.248 1.00 0.10 H new ATOM 0 HA VAL A 320 2.487 10.441 -2.366 1.00 0.10 H new ATOM 0 HB VAL A 320 3.658 7.837 -3.401 1.00 0.14 H new ATOM 0 HG11 VAL A 320 3.041 8.722 -5.619 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.622 8.510 -4.567 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.293 10.136 -4.839 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.240 9.249 -4.665 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.606 10.689 -3.833 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.448 9.425 -2.906 1.00 0.17 H new ATOM 1083 N LEU A 321 1.751 7.416 -1.285 1.00 0.08 N ATOM 1084 CA LEU A 321 0.661 6.510 -0.944 1.00 0.09 C ATOM 1085 C LEU A 321 -0.384 7.219 -0.091 1.00 0.09 C ATOM 1086 O LEU A 321 -1.573 7.199 -0.407 1.00 0.10 O ATOM 1087 CB LEU A 321 1.200 5.289 -0.194 1.00 0.11 C ATOM 1088 CG LEU A 321 0.165 4.207 0.126 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.531 3.731 -1.136 1.00 0.38 C ATOM 1090 CD2 LEU A 321 0.826 3.043 0.841 1.00 0.29 C ATOM 0 H LEU A 321 2.671 7.100 -0.977 1.00 0.08 H new ATOM 0 HA LEU A 321 0.191 6.181 -1.871 1.00 0.09 H new ATOM 0 HB2 LEU A 321 1.997 4.842 -0.788 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.649 5.626 0.740 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.589 4.639 0.784 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -1.261 2.963 -0.881 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -1.039 4.571 -1.610 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.206 3.317 -1.824 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.079 2.281 1.063 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.601 2.617 0.204 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.273 3.394 1.771 1.00 0.29 H new ATOM 1102 N ARG A 322 0.071 7.861 0.980 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.827 8.569 1.881 1.00 0.12 C ATOM 1104 C ARG A 322 -1.551 9.691 1.148 1.00 0.13 C ATOM 1105 O ARG A 322 -2.698 10.003 1.458 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.070 9.112 3.097 1.00 0.15 C ATOM 1107 CG ARG A 322 0.626 8.030 3.905 1.00 0.19 C ATOM 1108 CD ARG A 322 1.107 8.558 5.247 1.00 0.34 C ATOM 1109 NE ARG A 322 0.063 8.482 6.275 1.00 0.49 N ATOM 1110 CZ ARG A 322 0.218 8.896 7.534 1.00 1.05 C ATOM 1111 NH1 ARG A 322 1.367 9.424 7.927 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -0.778 8.774 8.403 1.00 1.28 N ATOM 0 H ARG A 322 1.055 7.905 1.244 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.573 7.860 2.240 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.671 9.837 2.761 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.768 9.645 3.742 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.059 7.197 4.065 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.474 7.642 3.341 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.977 7.986 5.571 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.430 9.593 5.134 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.839 8.087 6.010 1.00 0.49 H new ATOM 0 HH11 ARG A 322 2.139 9.516 7.266 1.00 1.57 H new ATOM 0 HH12 ARG A 322 1.480 9.739 8.890 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -1.664 8.363 8.109 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -0.657 9.091 9.365 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.881 10.279 0.162 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.471 11.347 -0.631 1.00 0.15 C ATOM 1128 C GLU A 323 -2.611 10.790 -1.479 1.00 0.14 C ATOM 1129 O GLU A 323 -3.727 11.302 -1.449 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.415 11.996 -1.529 1.00 0.20 C ATOM 1131 CG GLU A 323 -0.127 13.445 -1.179 1.00 0.62 C ATOM 1132 CD GLU A 323 -1.360 14.323 -1.263 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -2.109 14.219 -2.258 1.00 1.76 O ATOM 1134 OE2 GLU A 323 -1.576 15.131 -0.339 1.00 1.87 O ATOM 0 H GLU A 323 0.072 10.032 -0.106 1.00 0.12 H new ATOM 0 HA GLU A 323 -1.864 12.108 0.043 1.00 0.15 H new ATOM 0 HB2 GLU A 323 0.510 11.424 -1.460 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -0.748 11.941 -2.565 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.283 13.496 -0.170 1.00 0.62 H new ATOM 0 HG3 GLU A 323 0.637 13.833 -1.853 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.323 9.715 -2.210 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.313 9.074 -3.071 1.00 0.14 C ATOM 1143 C ILE A 324 -4.522 8.598 -2.269 1.00 0.14 C ATOM 1144 O ILE A 324 -5.664 8.787 -2.684 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.701 7.874 -3.831 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.596 8.353 -4.775 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.774 7.123 -4.611 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.864 7.229 -5.478 1.00 0.29 C ATOM 0 H ILE A 324 -1.406 9.268 -2.222 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.639 9.824 -3.792 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.268 7.190 -3.101 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -2.032 9.015 -5.524 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -0.877 8.944 -4.208 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.320 6.283 -5.138 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.532 6.752 -3.922 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.237 7.796 -5.332 1.00 0.23 H new ATOM 0 HD11 ILE A 324 -0.096 7.646 -6.129 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.398 6.579 -4.737 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.571 6.651 -6.074 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.269 8.005 -1.108 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.344 7.496 -0.259 1.00 0.13 C ATOM 1162 C VAL A 325 -6.168 8.642 0.342 1.00 0.16 C ATOM 1163 O VAL A 325 -7.274 8.435 0.843 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.789 6.561 0.853 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.907 5.998 1.717 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.996 5.427 0.227 1.00 0.16 C ATOM 0 H VAL A 325 -3.331 7.864 -0.732 1.00 0.11 H new ATOM 0 HA VAL A 325 -6.009 6.904 -0.888 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.135 7.152 1.494 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.483 5.349 2.483 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.447 6.817 2.193 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.594 5.424 1.095 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.610 4.776 1.012 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.644 4.852 -0.435 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.164 5.837 -0.345 1.00 0.16 H new ATOM 1176 N SER A 326 -5.647 9.860 0.259 1.00 0.19 N ATOM 1177 CA SER A 326 -6.353 11.021 0.780 1.00 0.24 C ATOM 1178 C SER A 326 -7.295 11.596 -0.279 1.00 0.27 C ATOM 1179 O SER A 326 -8.082 12.506 0.001 1.00 0.44 O ATOM 1180 CB SER A 326 -5.360 12.090 1.241 1.00 0.32 C ATOM 1181 OG SER A 326 -4.596 11.634 2.345 1.00 0.37 O ATOM 0 H SER A 326 -4.742 10.068 -0.163 1.00 0.19 H new ATOM 0 HA SER A 326 -6.946 10.704 1.638 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.695 12.352 0.418 1.00 0.32 H new ATOM 0 HB3 SER A 326 -5.899 12.997 1.517 1.00 0.32 H new ATOM 0 HG SER A 326 -3.785 11.189 2.020 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.216 11.056 -1.492 1.00 0.27 N ATOM 1188 CA GLN A 327 -8.057 11.509 -2.591 1.00 0.32 C ATOM 1189 C GLN A 327 -9.293 10.624 -2.708 1.00 0.34 C ATOM 1190 O GLN A 327 -9.212 9.405 -2.554 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.274 11.504 -3.909 1.00 0.41 C ATOM 1192 CG GLN A 327 -6.707 12.864 -4.290 1.00 0.63 C ATOM 1193 CD GLN A 327 -5.677 13.373 -3.298 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -6.019 14.014 -2.306 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -4.411 13.108 -3.571 1.00 0.94 N ATOM 0 H GLN A 327 -6.575 10.301 -1.737 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.374 12.531 -2.383 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.456 10.788 -3.832 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -7.928 11.156 -4.708 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.251 12.798 -5.278 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -7.522 13.585 -4.362 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -4.170 12.573 -4.405 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -3.675 13.439 -2.947 1.00 0.94 H new ATOM 1204 N THR A 328 -10.437 11.238 -2.972 1.00 0.42 N ATOM 1205 CA THR A 328 -11.685 10.508 -3.099 1.00 0.49 C ATOM 1206 C THR A 328 -11.794 9.807 -4.452 1.00 0.51 C ATOM 1207 O THR A 328 -12.263 10.386 -5.433 1.00 0.84 O ATOM 1208 CB THR A 328 -12.879 11.455 -2.913 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.419 12.815 -2.888 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.616 11.134 -1.622 1.00 0.89 C ATOM 0 H THR A 328 -10.524 12.246 -3.103 1.00 0.42 H new ATOM 0 HA THR A 328 -11.697 9.747 -2.319 1.00 0.49 H new ATOM 0 HB THR A 328 -13.567 11.321 -3.748 1.00 0.66 H new ATOM 0 HG1 THR A 328 -11.950 12.986 -2.045 1.00 0.88 H new ATOM 0 HG21 THR A 328 -14.459 11.815 -1.506 1.00 0.89 H new ATOM 0 HG22 THR A 328 -13.980 10.107 -1.657 1.00 0.89 H new ATOM 0 HG23 THR A 328 -12.937 11.250 -0.777 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.343 8.564 -4.505 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.407 7.804 -5.734 1.00 0.44 C ATOM 1220 C GLY A 329 -11.013 6.358 -5.519 1.00 0.39 C ATOM 1221 O GLY A 329 -10.576 6.000 -4.425 1.00 0.43 O ATOM 0 H GLY A 329 -10.932 8.066 -3.715 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.418 7.849 -6.138 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -10.747 8.255 -6.475 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.172 5.499 -6.538 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.814 4.081 -6.436 1.00 0.39 C ATOM 1227 C PRO A 330 -9.302 3.877 -6.400 1.00 0.36 C ATOM 1228 O PRO A 330 -8.550 4.594 -7.066 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.414 3.470 -7.704 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.503 4.593 -8.677 1.00 0.58 C ATOM 1231 CD PRO A 330 -11.716 5.841 -7.864 1.00 0.52 C ATOM 0 HA PRO A 330 -11.186 3.625 -5.518 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -10.786 2.666 -8.088 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.397 3.041 -7.507 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -10.592 4.666 -9.270 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.326 4.438 -9.375 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -11.198 6.695 -8.300 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -12.772 6.105 -7.806 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.859 2.897 -5.626 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.437 2.623 -5.497 1.00 0.25 C ATOM 1241 C ILE A 331 -7.105 1.189 -5.900 1.00 0.25 C ATOM 1242 O ILE A 331 -7.702 0.234 -5.395 1.00 0.30 O ATOM 1243 CB ILE A 331 -6.948 2.866 -4.052 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.398 4.245 -3.560 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.431 2.742 -3.978 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.121 4.485 -2.093 1.00 0.35 C ATOM 0 H ILE A 331 -9.462 2.281 -5.080 1.00 0.27 H new ATOM 0 HA ILE A 331 -6.924 3.309 -6.170 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.389 2.108 -3.404 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.894 5.013 -4.147 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.467 4.355 -3.742 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.101 2.916 -2.954 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.132 1.742 -4.291 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -4.973 3.480 -4.637 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.466 5.481 -1.816 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.647 3.740 -1.497 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -6.050 4.408 -1.908 1.00 0.35 H new ATOM 1258 N SER A 332 -6.171 1.050 -6.829 1.00 0.28 N ATOM 1259 CA SER A 332 -5.727 -0.253 -7.288 1.00 0.31 C ATOM 1260 C SER A 332 -4.334 -0.529 -6.735 1.00 0.27 C ATOM 1261 O SER A 332 -3.395 0.234 -6.983 1.00 0.31 O ATOM 1262 CB SER A 332 -5.728 -0.303 -8.814 1.00 0.41 C ATOM 1263 OG SER A 332 -6.911 0.290 -9.331 1.00 1.09 O ATOM 0 H SER A 332 -5.703 1.835 -7.283 1.00 0.28 H new ATOM 0 HA SER A 332 -6.410 -1.022 -6.928 1.00 0.31 H new ATOM 0 HB2 SER A 332 -4.853 0.219 -9.201 1.00 0.41 H new ATOM 0 HB3 SER A 332 -5.656 -1.337 -9.150 1.00 0.41 H new ATOM 0 HG SER A 332 -6.895 0.251 -10.310 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.206 -1.609 -5.979 1.00 0.27 N ATOM 1270 CA LEU A 333 -2.939 -1.963 -5.360 1.00 0.26 C ATOM 1271 C LEU A 333 -2.282 -3.150 -6.050 1.00 0.26 C ATOM 1272 O LEU A 333 -2.906 -4.192 -6.267 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.146 -2.289 -3.877 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.786 -1.179 -3.038 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -4.045 -1.662 -1.620 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.904 0.058 -3.021 1.00 0.39 C ATOM 0 H LEU A 333 -4.968 -2.257 -5.779 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.278 -1.102 -5.462 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -3.769 -3.181 -3.803 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.179 -2.538 -3.440 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.740 -0.916 -3.494 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.500 -0.859 -1.040 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -4.719 -2.519 -1.645 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -3.102 -1.955 -1.158 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.377 0.834 -2.420 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.934 -0.193 -2.592 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -2.767 0.421 -4.040 1.00 0.39 H new ATOM 1288 N THR A 334 -1.018 -2.976 -6.396 1.00 0.24 N ATOM 1289 CA THR A 334 -0.238 -4.025 -7.026 1.00 0.26 C ATOM 1290 C THR A 334 0.794 -4.529 -6.023 1.00 0.26 C ATOM 1291 O THR A 334 1.847 -3.914 -5.836 1.00 0.28 O ATOM 1292 CB THR A 334 0.472 -3.510 -8.294 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.306 -2.467 -8.898 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.680 -4.631 -9.297 1.00 0.42 C ATOM 0 H THR A 334 -0.506 -2.106 -6.248 1.00 0.24 H new ATOM 0 HA THR A 334 -0.905 -4.833 -7.326 1.00 0.26 H new ATOM 0 HB THR A 334 1.448 -3.121 -8.002 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.189 -1.636 -8.391 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.183 -4.239 -10.181 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.293 -5.412 -8.847 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.286 -5.047 -9.583 1.00 0.42 H new ATOM 1302 N VAL A 335 0.473 -5.625 -5.353 1.00 0.26 N ATOM 1303 CA VAL A 335 1.357 -6.174 -4.336 1.00 0.28 C ATOM 1304 C VAL A 335 2.126 -7.393 -4.831 1.00 0.28 C ATOM 1305 O VAL A 335 1.671 -8.125 -5.712 1.00 0.32 O ATOM 1306 CB VAL A 335 0.581 -6.561 -3.056 1.00 0.30 C ATOM 1307 CG1 VAL A 335 0.049 -5.324 -2.344 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.554 -7.522 -3.380 1.00 0.31 C ATOM 0 H VAL A 335 -0.390 -6.150 -5.494 1.00 0.26 H new ATOM 0 HA VAL A 335 2.069 -5.382 -4.105 1.00 0.28 H new ATOM 0 HB VAL A 335 1.276 -7.066 -2.385 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.493 -5.625 -1.447 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.882 -4.678 -2.065 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -0.623 -4.782 -3.009 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.085 -7.780 -2.464 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.244 -7.048 -4.078 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.147 -8.427 -3.830 1.00 0.31 H new ATOM 1318 N ALA A 336 3.295 -7.595 -4.248 1.00 0.28 N ATOM 1319 CA ALA A 336 4.147 -8.718 -4.583 1.00 0.31 C ATOM 1320 C ALA A 336 4.195 -9.682 -3.411 1.00 0.33 C ATOM 1321 O ALA A 336 4.799 -9.386 -2.377 1.00 0.38 O ATOM 1322 CB ALA A 336 5.547 -8.241 -4.939 1.00 0.34 C ATOM 0 H ALA A 336 3.679 -6.983 -3.528 1.00 0.28 H new ATOM 0 HA ALA A 336 3.736 -9.231 -5.452 1.00 0.31 H new ATOM 0 HB1 ALA A 336 6.172 -9.099 -5.187 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.496 -7.569 -5.796 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.978 -7.712 -4.089 1.00 0.34 H new ATOM 1328 N LYS A 337 3.527 -10.809 -3.560 1.00 0.36 N ATOM 1329 CA LYS A 337 3.488 -11.814 -2.514 1.00 0.40 C ATOM 1330 C LYS A 337 4.628 -12.800 -2.695 1.00 0.47 C ATOM 1331 O LYS A 337 4.734 -13.389 -3.793 1.00 0.60 O ATOM 1332 CB LYS A 337 2.144 -12.542 -2.526 1.00 0.41 C ATOM 1333 CG LYS A 337 0.946 -11.604 -2.457 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.371 -12.365 -2.472 1.00 0.41 C ATOM 1335 CE LYS A 337 -0.603 -13.132 -1.179 1.00 0.39 C ATOM 1336 NZ LYS A 337 -0.873 -12.229 -0.030 1.00 0.38 N ATOM 1337 OXT LYS A 337 5.423 -12.969 -1.748 1.00 0.70 O ATOM 0 H LYS A 337 3.001 -11.053 -4.399 1.00 0.36 H new ATOM 0 HA LYS A 337 3.603 -11.321 -1.549 1.00 0.40 H new ATOM 0 HB2 LYS A 337 2.073 -13.143 -3.432 1.00 0.41 H new ATOM 0 HB3 LYS A 337 2.105 -13.231 -1.682 1.00 0.41 H new ATOM 0 HG2 LYS A 337 1.008 -11.002 -1.550 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.976 -10.914 -3.300 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.192 -11.665 -2.630 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -0.378 -13.060 -3.312 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -1.444 -13.813 -1.309 1.00 0.39 H new ATOM 0 HE3 LYS A 337 0.272 -13.744 -0.960 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.393 -12.749 0.706 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 0.028 -11.885 0.360 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.443 -11.420 -0.350 1.00 0.38 H new TER 1351 LYS A 337 HETATM 1352 C1 PHQ B 1 1.949 4.366 7.773 1.00 0.19 C HETATM 1353 O1 PHQ B 1 1.949 3.149 7.959 1.00 0.22 O HETATM 1354 O2 PHQ B 1 3.262 5.118 7.577 1.00 0.26 O HETATM 1355 C2 PHQ B 1 4.395 4.157 7.229 1.00 0.31 C HETATM 1356 C3 PHQ B 1 5.740 4.825 7.044 1.00 0.38 C HETATM 1357 C4 PHQ B 1 5.845 6.225 7.056 1.00 1.30 C HETATM 1358 C5 PHQ B 1 7.044 6.842 6.659 1.00 1.42 C HETATM 1359 C6 PHQ B 1 8.159 6.053 6.321 1.00 0.84 C HETATM 1360 C7 PHQ B 1 8.082 4.653 6.414 1.00 1.38 C HETATM 1361 C8 PHQ B 1 6.890 4.043 6.845 1.00 1.29 C HETATM 0 H81 PHQ B 1 6.859 2.968 7.024 1.00 1.29 H new HETATM 0 H71 PHQ B 1 8.945 4.040 6.152 1.00 1.38 H new HETATM 0 H61 PHQ B 1 9.082 6.527 5.987 1.00 0.84 H new HETATM 0 H51 PHQ B 1 7.110 7.929 6.613 1.00 1.42 H new HETATM 0 H41 PHQ B 1 4.998 6.833 7.373 1.00 1.30 H new HETATM 0 H22 PHQ B 1 4.478 3.410 8.019 1.00 0.31 H new HETATM 0 H21 PHQ B 1 4.137 3.625 6.313 1.00 0.31 H new ATOM 1369 N TRP B 2 0.800 5.031 7.740 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.495 4.370 7.922 1.00 0.13 C ATOM 1371 C TRP B 2 -1.540 5.005 7.015 1.00 0.14 C ATOM 1372 O TRP B 2 -1.538 6.222 6.823 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.966 4.497 9.378 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.421 3.459 10.314 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.821 3.431 10.874 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -1.112 2.311 10.821 1.00 0.24 C ATOM 1377 NE1 TRP B 2 0.948 2.334 11.691 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.225 1.634 11.675 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.395 1.789 10.636 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.577 0.462 12.339 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.741 0.628 11.295 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.839 -0.022 12.138 1.00 0.39 C ATOM 0 HA TRP B 2 -0.374 3.317 7.669 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.686 5.483 9.750 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -2.055 4.446 9.398 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.594 4.165 10.701 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.782 2.083 12.223 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -3.103 2.286 9.989 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.121 -0.045 12.988 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.729 0.214 11.156 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.145 -0.927 12.642 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.412 4.189 6.442 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.475 4.698 5.586 1.00 0.11 C ATOM 1395 C VAL B 3 -4.697 3.801 5.667 1.00 0.14 C ATOM 1396 O VAL B 3 -5.773 4.215 5.186 1.00 0.24 O ATOM 1397 CB VAL B 3 -3.061 4.858 4.105 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.833 6.322 3.780 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.829 4.037 3.750 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.579 2.697 6.236 1.00 0.27 O ATOM 0 H VAL B 3 -2.406 3.175 6.553 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.704 5.695 5.963 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.882 4.475 3.499 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.542 6.422 2.734 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.752 6.881 3.956 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -2.041 6.717 4.416 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.583 4.187 2.699 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.989 4.355 4.368 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.032 2.981 3.928 1.00 0.11 H new TER 1410 VAL B 3