USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 703 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 270 SER OG : rot 180:sc= 0.468 USER MOD Set 1.2: A 314 ASN : amide:sc= 1.37 K(o=1.8,f=-3!) USER MOD Set 2.1: A 269 GLN : amide:sc= 0 X(o=0.2,f=0.2) USER MOD Set 2.2: A 279 TYR OH : rot -98:sc= 0.205 USER MOD Single : A 248 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 251 THR OG1 : rot 180:sc= 0 USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= 0.972 K(o=0.97,f=-7.4!) USER MOD Single : A 256 MET CE :methyl -174:sc= 0 (180deg=-0.0433) USER MOD Single : A 259 HIS : no HE2:sc= 0.923 K(o=0.92,f=-3.3!) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 265 SER OG : rot 91:sc= 0.859 USER MOD Single : A 271 ASN : amide:sc= -1.78! C(o=-1.8!,f=-3.1!) USER MOD Single : A 282 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 284 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 285 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 300 MET CE :methyl 143:sc= -0.181 (180deg=-1.01) USER MOD Single : A 303 GLN : amide:sc= -1.05 K(o=-1,f=-3.2!) USER MOD Single : A 305 ASN : amide:sc= 0.0894 K(o=0.089,f=-2.4!) USER MOD Single : A 308 ASN : amide:sc= 0.366 K(o=0.37,f=-12!) USER MOD Single : A 311 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 312 MET CE :methyl 171:sc= -0.338 (180deg=-0.537) USER MOD Single : A 313 SER OG : rot 120:sc= 1.38 USER MOD Single : A 326 SER OG : rot 76:sc= 1.22 USER MOD Single : A 327 GLN : amide:sc= 0.115 K(o=0.12,f=-0.43) USER MOD Single : A 328 THR OG1 : rot 44:sc= 0.129 USER MOD Single : A 332 SER OG : rot 23:sc= 0.595 USER MOD Single : A 334 THR OG1 : rot -150:sc= -1.41 USER MOD Single : A 337 LYS NZ :NH3+ 163:sc= 1.51 (180deg=0.606) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 4.276 -14.091 -6.739 1.00 0.52 N ATOM 2 CA ASN A 248 3.103 -13.840 -7.606 1.00 0.49 C ATOM 3 C ASN A 248 2.597 -12.420 -7.395 1.00 0.44 C ATOM 4 O ASN A 248 2.343 -12.005 -6.264 1.00 0.47 O ATOM 5 CB ASN A 248 1.988 -14.846 -7.296 1.00 0.57 C ATOM 6 CG ASN A 248 0.833 -14.771 -8.279 1.00 0.70 C ATOM 7 OD1 ASN A 248 -0.073 -13.954 -8.126 1.00 0.99 O ATOM 8 ND2 ASN A 248 0.839 -15.637 -9.283 1.00 1.26 N ATOM 0 HA ASN A 248 3.403 -13.960 -8.647 1.00 0.49 H new ATOM 0 HB2 ASN A 248 2.402 -15.854 -7.306 1.00 0.57 H new ATOM 0 HB3 ASN A 248 1.613 -14.666 -6.288 1.00 0.57 H new ATOM 0 HD21 ASN A 248 0.075 -15.639 -9.959 1.00 1.26 H new ATOM 0 HD22 ASN A 248 1.607 -16.301 -9.379 1.00 1.26 H new ATOM 17 N ILE A 249 2.467 -11.676 -8.483 1.00 0.45 N ATOM 18 CA ILE A 249 2.001 -10.298 -8.416 1.00 0.43 C ATOM 19 C ILE A 249 0.502 -10.223 -8.688 1.00 0.42 C ATOM 20 O ILE A 249 0.021 -10.724 -9.709 1.00 0.50 O ATOM 21 CB ILE A 249 2.756 -9.403 -9.424 1.00 0.47 C ATOM 22 CG1 ILE A 249 4.267 -9.489 -9.185 1.00 0.54 C ATOM 23 CG2 ILE A 249 2.281 -7.960 -9.321 1.00 0.50 C ATOM 24 CD1 ILE A 249 5.086 -8.695 -10.181 1.00 0.65 C ATOM 0 H ILE A 249 2.678 -12.004 -9.425 1.00 0.45 H new ATOM 0 HA ILE A 249 2.201 -9.933 -7.409 1.00 0.43 H new ATOM 0 HB ILE A 249 2.543 -9.762 -10.431 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.488 -9.132 -8.179 1.00 0.54 H new ATOM 0 HG13 ILE A 249 4.574 -10.534 -9.227 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.825 -7.346 -10.039 1.00 0.50 H new ATOM 0 HG22 ILE A 249 1.214 -7.912 -9.537 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.464 -7.588 -8.313 1.00 0.50 H new ATOM 0 HD11 ILE A 249 6.146 -8.803 -9.949 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.895 -9.067 -11.188 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.808 -7.643 -10.124 1.00 0.65 H new ATOM 36 N ILE A 250 -0.234 -9.605 -7.772 1.00 0.39 N ATOM 37 CA ILE A 250 -1.677 -9.476 -7.916 1.00 0.41 C ATOM 38 C ILE A 250 -2.116 -8.014 -7.863 1.00 0.37 C ATOM 39 O ILE A 250 -1.782 -7.286 -6.927 1.00 0.36 O ATOM 40 CB ILE A 250 -2.433 -10.256 -6.816 1.00 0.44 C ATOM 41 CG1 ILE A 250 -1.870 -11.676 -6.668 1.00 0.48 C ATOM 42 CG2 ILE A 250 -3.923 -10.305 -7.131 1.00 0.55 C ATOM 43 CD1 ILE A 250 -2.523 -12.480 -5.561 1.00 0.54 C ATOM 0 H ILE A 250 0.145 -9.186 -6.923 1.00 0.39 H new ATOM 0 HA ILE A 250 -1.925 -9.896 -8.891 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.292 -9.734 -5.869 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -1.995 -12.207 -7.612 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -0.799 -11.614 -6.476 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.442 -10.857 -6.348 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.318 -9.290 -7.182 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.076 -10.803 -8.089 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.073 -13.472 -5.518 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.376 -11.973 -4.608 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -3.590 -12.574 -5.761 1.00 0.54 H new ATOM 55 N THR A 251 -2.854 -7.594 -8.879 1.00 0.40 N ATOM 56 CA THR A 251 -3.373 -6.241 -8.945 1.00 0.39 C ATOM 57 C THR A 251 -4.820 -6.234 -8.470 1.00 0.40 C ATOM 58 O THR A 251 -5.723 -6.669 -9.189 1.00 0.48 O ATOM 59 CB THR A 251 -3.302 -5.690 -10.376 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.350 -6.447 -11.143 1.00 0.59 O ATOM 61 CG2 THR A 251 -2.908 -4.221 -10.369 1.00 0.47 C ATOM 0 H THR A 251 -3.108 -8.179 -9.675 1.00 0.40 H new ATOM 0 HA THR A 251 -2.763 -5.605 -8.303 1.00 0.39 H new ATOM 0 HB THR A 251 -4.288 -5.781 -10.831 1.00 0.46 H new ATOM 0 HG1 THR A 251 -2.310 -6.093 -12.056 1.00 0.59 H new ATOM 0 HG21 THR A 251 -2.864 -3.851 -11.393 1.00 0.47 H new ATOM 0 HG22 THR A 251 -3.647 -3.649 -9.808 1.00 0.47 H new ATOM 0 HG23 THR A 251 -1.930 -4.109 -9.900 1.00 0.47 H new ATOM 69 N VAL A 252 -5.034 -5.769 -7.254 1.00 0.36 N ATOM 70 CA VAL A 252 -6.370 -5.741 -6.683 1.00 0.38 C ATOM 71 C VAL A 252 -6.971 -4.338 -6.733 1.00 0.35 C ATOM 72 O VAL A 252 -6.258 -3.347 -6.887 1.00 0.39 O ATOM 73 CB VAL A 252 -6.370 -6.248 -5.222 1.00 0.41 C ATOM 74 CG1 VAL A 252 -5.711 -7.614 -5.127 1.00 0.50 C ATOM 75 CG2 VAL A 252 -5.680 -5.256 -4.294 1.00 0.40 C ATOM 0 H VAL A 252 -4.303 -5.406 -6.642 1.00 0.36 H new ATOM 0 HA VAL A 252 -6.984 -6.408 -7.289 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.408 -6.342 -4.902 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -5.722 -7.952 -4.091 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -6.257 -8.325 -5.746 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -4.681 -7.546 -5.476 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -5.696 -5.640 -3.274 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -4.647 -5.117 -4.613 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.203 -4.300 -4.330 1.00 0.40 H new ATOM 85 N THR A 253 -8.285 -4.271 -6.620 1.00 0.39 N ATOM 86 CA THR A 253 -8.993 -3.007 -6.622 1.00 0.40 C ATOM 87 C THR A 253 -9.804 -2.904 -5.334 1.00 0.39 C ATOM 88 O THR A 253 -10.329 -3.908 -4.846 1.00 0.54 O ATOM 89 CB THR A 253 -9.904 -2.863 -7.866 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.193 -1.483 -8.109 1.00 0.76 O ATOM 91 CG2 THR A 253 -11.207 -3.627 -7.708 1.00 0.79 C ATOM 0 H THR A 253 -8.888 -5.088 -6.525 1.00 0.39 H new ATOM 0 HA THR A 253 -8.271 -2.192 -6.670 1.00 0.40 H new ATOM 0 HB THR A 253 -9.363 -3.286 -8.712 1.00 0.50 H new ATOM 0 HG1 THR A 253 -10.768 -1.403 -8.899 1.00 0.76 H new ATOM 0 HG21 THR A 253 -11.815 -3.498 -8.603 1.00 0.79 H new ATOM 0 HG22 THR A 253 -10.993 -4.686 -7.564 1.00 0.79 H new ATOM 0 HG23 THR A 253 -11.750 -3.246 -6.843 1.00 0.79 H new ATOM 99 N LEU A 254 -9.884 -1.714 -4.764 1.00 0.33 N ATOM 100 CA LEU A 254 -10.608 -1.530 -3.518 1.00 0.35 C ATOM 101 C LEU A 254 -11.696 -0.468 -3.638 1.00 0.35 C ATOM 102 O LEU A 254 -11.487 0.599 -4.224 1.00 0.37 O ATOM 103 CB LEU A 254 -9.635 -1.159 -2.401 1.00 0.36 C ATOM 104 CG LEU A 254 -8.524 -2.181 -2.144 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.547 -1.655 -1.109 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.105 -3.507 -1.683 1.00 0.45 C ATOM 0 H LEU A 254 -9.460 -0.866 -5.141 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.098 -2.474 -3.280 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.177 -0.200 -2.643 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.200 -1.019 -1.479 1.00 0.36 H new ATOM 0 HG LEU A 254 -7.992 -2.343 -3.081 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -6.764 -2.394 -0.939 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.099 -0.729 -1.469 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.075 -1.464 -0.175 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.297 -4.217 -1.507 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -9.665 -3.358 -0.760 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -9.771 -3.899 -2.451 1.00 0.45 H new ATOM 118 N ASN A 255 -12.860 -0.780 -3.081 1.00 0.40 N ATOM 119 CA ASN A 255 -13.995 0.133 -3.096 1.00 0.44 C ATOM 120 C ASN A 255 -13.809 1.207 -2.030 1.00 0.40 C ATOM 121 O ASN A 255 -13.860 0.917 -0.831 1.00 0.39 O ATOM 122 CB ASN A 255 -15.299 -0.637 -2.843 1.00 0.50 C ATOM 123 CG ASN A 255 -16.510 0.270 -2.716 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.804 0.792 -1.638 1.00 0.52 O ATOM 125 ND2 ASN A 255 -17.223 0.456 -3.812 1.00 0.65 N ATOM 0 H ASN A 255 -13.043 -1.666 -2.610 1.00 0.40 H new ATOM 0 HA ASN A 255 -14.053 0.608 -4.075 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.463 -1.340 -3.659 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.196 -1.225 -1.931 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -18.052 1.050 -3.787 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.945 0.005 -4.684 1.00 0.65 H new ATOM 132 N MET A 256 -13.600 2.445 -2.465 1.00 0.41 N ATOM 133 CA MET A 256 -13.402 3.555 -1.542 1.00 0.41 C ATOM 134 C MET A 256 -14.709 4.306 -1.305 1.00 0.44 C ATOM 135 O MET A 256 -14.709 5.446 -0.840 1.00 0.49 O ATOM 136 CB MET A 256 -12.322 4.505 -2.066 1.00 0.43 C ATOM 137 CG MET A 256 -10.927 3.905 -2.058 1.00 0.45 C ATOM 138 SD MET A 256 -10.418 3.352 -0.415 1.00 0.56 S ATOM 139 CE MET A 256 -10.124 4.918 0.407 1.00 0.63 C ATOM 0 H MET A 256 -13.563 2.704 -3.451 1.00 0.41 H new ATOM 0 HA MET A 256 -13.068 3.147 -0.588 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.574 4.802 -3.084 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.322 5.411 -1.460 1.00 0.43 H new ATOM 0 HG2 MET A 256 -10.894 3.061 -2.748 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.215 4.644 -2.425 1.00 0.45 H new ATOM 0 HE1 MET A 256 -9.702 4.736 1.395 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.426 5.513 -0.182 1.00 0.63 H new ATOM 0 HE3 MET A 256 -11.065 5.458 0.508 1.00 0.63 H new ATOM 149 N GLU A 257 -15.820 3.663 -1.634 1.00 0.46 N ATOM 150 CA GLU A 257 -17.133 4.258 -1.433 1.00 0.51 C ATOM 151 C GLU A 257 -17.618 3.938 -0.028 1.00 0.49 C ATOM 152 O GLU A 257 -18.020 4.820 0.730 1.00 0.56 O ATOM 153 CB GLU A 257 -18.131 3.722 -2.461 1.00 0.56 C ATOM 154 CG GLU A 257 -17.681 3.900 -3.899 1.00 0.67 C ATOM 155 CD GLU A 257 -17.420 5.349 -4.244 1.00 0.86 C ATOM 156 OE1 GLU A 257 -18.396 6.087 -4.497 1.00 1.23 O ATOM 157 OE2 GLU A 257 -16.244 5.758 -4.265 1.00 1.27 O ATOM 0 H GLU A 257 -15.838 2.728 -2.042 1.00 0.46 H new ATOM 0 HA GLU A 257 -17.056 5.338 -1.560 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -18.300 2.662 -2.271 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -19.087 4.227 -2.324 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.774 3.320 -4.068 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.444 3.501 -4.568 1.00 0.67 H new ATOM 164 N ARG A 258 -17.551 2.657 0.308 1.00 0.45 N ATOM 165 CA ARG A 258 -17.963 2.173 1.616 1.00 0.45 C ATOM 166 C ARG A 258 -16.785 2.221 2.592 1.00 0.43 C ATOM 167 O ARG A 258 -16.909 1.862 3.761 1.00 0.63 O ATOM 168 CB ARG A 258 -18.501 0.738 1.484 1.00 0.48 C ATOM 169 CG ARG A 258 -19.186 0.207 2.735 1.00 0.56 C ATOM 170 CD ARG A 258 -19.626 -1.237 2.556 1.00 0.64 C ATOM 171 NE ARG A 258 -19.758 -1.931 3.833 1.00 0.75 N ATOM 172 CZ ARG A 258 -20.080 -3.216 3.950 1.00 0.86 C ATOM 173 NH1 ARG A 258 -20.357 -3.941 2.870 1.00 1.01 N ATOM 174 NH2 ARG A 258 -20.145 -3.772 5.150 1.00 1.06 N ATOM 0 H ARG A 258 -17.210 1.927 -0.317 1.00 0.45 H new ATOM 0 HA ARG A 258 -18.754 2.813 2.007 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.207 0.702 0.655 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.675 0.075 1.228 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.505 0.279 3.583 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -20.052 0.827 2.968 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -20.580 -1.263 2.029 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -18.903 -1.762 1.931 1.00 0.64 H new ATOM 0 HE ARG A 258 -19.593 -1.398 4.687 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -20.323 -3.512 1.945 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -20.603 -4.926 2.966 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -19.948 -3.215 5.982 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -20.392 -4.757 5.243 1.00 1.06 H new ATOM 188 N HIS A 259 -15.636 2.676 2.107 1.00 0.37 N ATOM 189 CA HIS A 259 -14.443 2.761 2.934 1.00 0.35 C ATOM 190 C HIS A 259 -13.816 4.136 2.812 1.00 0.40 C ATOM 191 O HIS A 259 -13.655 4.652 1.713 1.00 0.63 O ATOM 192 CB HIS A 259 -13.427 1.694 2.526 1.00 0.38 C ATOM 193 CG HIS A 259 -13.941 0.296 2.658 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.226 -0.501 1.571 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.225 -0.448 3.752 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.665 -1.673 1.989 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.674 -1.667 3.309 1.00 0.75 N ATOM 0 H HIS A 259 -15.507 2.991 1.145 1.00 0.37 H new ATOM 0 HA HIS A 259 -14.735 2.591 3.970 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.128 1.866 1.492 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.532 1.803 3.139 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -14.115 -0.228 0.595 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.118 -0.140 4.782 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -14.966 -2.497 1.359 1.00 0.76 H new ATOM 206 N HIS A 260 -13.466 4.728 3.940 1.00 0.36 N ATOM 207 CA HIS A 260 -12.854 6.048 3.939 1.00 0.42 C ATOM 208 C HIS A 260 -11.365 5.955 4.263 1.00 0.35 C ATOM 209 O HIS A 260 -10.730 6.958 4.587 1.00 0.42 O ATOM 210 CB HIS A 260 -13.556 6.966 4.941 1.00 0.56 C ATOM 211 CG HIS A 260 -14.970 7.310 4.562 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.285 8.216 3.570 1.00 0.97 N ATOM 213 CD2 HIS A 260 -16.154 6.861 5.045 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.598 8.311 3.462 1.00 1.09 C ATOM 215 NE2 HIS A 260 -17.149 7.497 4.343 1.00 1.01 N ATOM 0 H HIS A 260 -13.594 4.319 4.866 1.00 0.36 H new ATOM 0 HA HIS A 260 -12.964 6.471 2.941 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -13.559 6.486 5.919 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -12.982 7.887 5.040 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -16.290 6.137 5.835 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -17.130 8.947 2.770 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -18.151 7.362 4.480 1.00 1.01 H new ATOM 224 N PHE A 261 -10.818 4.746 4.173 1.00 0.30 N ATOM 225 CA PHE A 261 -9.404 4.511 4.455 1.00 0.25 C ATOM 226 C PHE A 261 -8.983 3.130 3.959 1.00 0.21 C ATOM 227 O PHE A 261 -9.831 2.289 3.635 1.00 0.22 O ATOM 228 CB PHE A 261 -9.104 4.663 5.959 1.00 0.28 C ATOM 229 CG PHE A 261 -9.779 3.649 6.848 1.00 0.32 C ATOM 230 CD1 PHE A 261 -11.161 3.620 6.978 1.00 0.52 C ATOM 231 CD2 PHE A 261 -9.028 2.730 7.564 1.00 0.36 C ATOM 232 CE1 PHE A 261 -11.778 2.693 7.796 1.00 0.62 C ATOM 233 CE2 PHE A 261 -9.639 1.801 8.386 1.00 0.44 C ATOM 234 CZ PHE A 261 -11.016 1.783 8.502 1.00 0.52 C ATOM 0 H PHE A 261 -11.336 3.909 3.905 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.824 5.263 3.921 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -8.026 4.595 6.108 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.407 5.661 6.276 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.762 4.332 6.432 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -7.951 2.740 7.479 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -12.854 2.680 7.883 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -9.041 1.090 8.937 1.00 0.44 H new ATOM 0 HZ PHE A 261 -11.495 1.059 9.144 1.00 0.52 H new ATOM 244 N LEU A 262 -7.680 2.901 3.904 1.00 0.17 N ATOM 245 CA LEU A 262 -7.142 1.631 3.442 1.00 0.14 C ATOM 246 C LEU A 262 -7.148 0.618 4.580 1.00 0.12 C ATOM 247 O LEU A 262 -7.680 -0.489 4.438 1.00 0.14 O ATOM 248 CB LEU A 262 -5.726 1.822 2.882 1.00 0.14 C ATOM 249 CG LEU A 262 -5.650 2.186 1.392 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.271 1.865 0.840 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.717 1.451 0.592 1.00 0.34 C ATOM 0 H LEU A 262 -6.972 3.583 4.175 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.772 1.249 2.639 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.229 2.605 3.455 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.163 0.903 3.043 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.831 3.257 1.298 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.232 2.128 -0.217 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.519 2.436 1.384 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -4.071 0.800 0.956 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.639 1.728 -0.459 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.573 0.376 0.695 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.704 1.722 0.967 1.00 0.34 H new ATOM 263 N GLY A 263 -6.568 1.008 5.704 1.00 0.11 N ATOM 264 CA GLY A 263 -6.526 0.148 6.868 1.00 0.12 C ATOM 265 C GLY A 263 -5.315 -0.759 6.889 1.00 0.11 C ATOM 266 O GLY A 263 -5.429 -1.943 7.218 1.00 0.14 O ATOM 0 H GLY A 263 -6.121 1.916 5.831 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.528 0.763 7.768 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.430 -0.461 6.896 1.00 0.12 H new ATOM 270 N ILE A 264 -4.155 -0.213 6.550 1.00 0.09 N ATOM 271 CA ILE A 264 -2.925 -0.993 6.537 1.00 0.09 C ATOM 272 C ILE A 264 -1.742 -0.193 7.063 1.00 0.08 C ATOM 273 O ILE A 264 -1.694 1.039 6.960 1.00 0.11 O ATOM 274 CB ILE A 264 -2.570 -1.512 5.126 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.903 -0.464 4.063 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.291 -2.818 4.838 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.317 -0.774 2.700 1.00 0.18 C ATOM 0 H ILE A 264 -4.040 0.764 6.281 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.116 -1.843 7.192 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.497 -1.700 5.092 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.986 -0.381 3.973 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.536 0.507 4.395 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.027 -3.167 3.839 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -2.996 -3.566 5.573 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.368 -2.659 4.894 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.594 0.012 1.997 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.231 -0.827 2.775 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.704 -1.730 2.346 1.00 0.18 H new ATOM 289 N SER A 265 -0.799 -0.913 7.646 1.00 0.09 N ATOM 290 CA SER A 265 0.417 -0.324 8.173 1.00 0.12 C ATOM 291 C SER A 265 1.539 -0.548 7.174 1.00 0.11 C ATOM 292 O SER A 265 1.813 -1.685 6.780 1.00 0.19 O ATOM 293 CB SER A 265 0.770 -0.959 9.519 1.00 0.20 C ATOM 294 OG SER A 265 1.798 -0.239 10.177 1.00 1.00 O ATOM 0 H SER A 265 -0.856 -1.924 7.767 1.00 0.09 H new ATOM 0 HA SER A 265 0.272 0.745 8.329 1.00 0.12 H new ATOM 0 HB2 SER A 265 -0.117 -0.990 10.152 1.00 0.20 H new ATOM 0 HB3 SER A 265 1.088 -1.990 9.364 1.00 0.20 H new ATOM 0 HG SER A 265 1.400 0.444 10.756 1.00 1.00 H new ATOM 300 N ILE A 266 2.180 0.529 6.757 1.00 0.10 N ATOM 301 CA ILE A 266 3.251 0.436 5.781 1.00 0.11 C ATOM 302 C ILE A 266 4.600 0.273 6.470 1.00 0.13 C ATOM 303 O ILE A 266 5.056 1.164 7.182 1.00 0.28 O ATOM 304 CB ILE A 266 3.289 1.676 4.860 1.00 0.13 C ATOM 305 CG1 ILE A 266 1.867 2.150 4.513 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.069 1.365 3.591 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.002 1.084 3.880 1.00 0.16 C ATOM 0 H ILE A 266 1.978 1.476 7.078 1.00 0.10 H new ATOM 0 HA ILE A 266 3.051 -0.444 5.169 1.00 0.11 H new ATOM 0 HB ILE A 266 3.792 2.482 5.394 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.381 2.505 5.422 1.00 0.14 H new ATOM 0 HG13 ILE A 266 1.934 3.000 3.834 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.088 2.247 2.951 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.089 1.083 3.851 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.589 0.542 3.061 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.016 1.496 3.665 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.463 0.744 2.953 1.00 0.16 H new ATOM 0 HD13 ILE A 266 0.902 0.242 4.565 1.00 0.16 H new ATOM 319 N VAL A 267 5.224 -0.875 6.263 1.00 0.12 N ATOM 320 CA VAL A 267 6.520 -1.162 6.854 1.00 0.14 C ATOM 321 C VAL A 267 7.627 -0.940 5.831 1.00 0.14 C ATOM 322 O VAL A 267 7.727 -1.667 4.841 1.00 0.23 O ATOM 323 CB VAL A 267 6.591 -2.611 7.388 1.00 0.24 C ATOM 324 CG1 VAL A 267 7.936 -2.884 8.039 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.464 -2.869 8.371 1.00 0.31 C ATOM 0 H VAL A 267 4.850 -1.628 5.686 1.00 0.12 H new ATOM 0 HA VAL A 267 6.657 -0.481 7.694 1.00 0.14 H new ATOM 0 HB VAL A 267 6.479 -3.290 6.543 1.00 0.24 H new ATOM 0 HG11 VAL A 267 7.961 -3.910 8.407 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.730 -2.742 7.306 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.083 -2.197 8.872 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.528 -3.894 8.738 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.547 -2.178 9.210 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.506 -2.721 7.873 1.00 0.31 H new ATOM 335 N GLY A 268 8.445 0.074 6.067 1.00 0.17 N ATOM 336 CA GLY A 268 9.533 0.378 5.163 1.00 0.23 C ATOM 337 C GLY A 268 10.794 -0.387 5.509 1.00 0.23 C ATOM 338 O GLY A 268 11.509 -0.027 6.445 1.00 0.37 O ATOM 0 H GLY A 268 8.374 0.695 6.873 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.233 0.139 4.143 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.739 1.448 5.192 1.00 0.23 H new ATOM 342 N GLN A 269 11.062 -1.447 4.761 1.00 0.27 N ATOM 343 CA GLN A 269 12.242 -2.268 4.986 1.00 0.34 C ATOM 344 C GLN A 269 13.474 -1.587 4.401 1.00 0.38 C ATOM 345 O GLN A 269 13.617 -1.485 3.183 1.00 0.50 O ATOM 346 CB GLN A 269 12.043 -3.653 4.360 1.00 0.49 C ATOM 347 CG GLN A 269 13.265 -4.554 4.440 1.00 0.67 C ATOM 348 CD GLN A 269 13.010 -5.938 3.875 1.00 1.19 C ATOM 349 OE1 GLN A 269 12.649 -6.865 4.602 1.00 1.81 O ATOM 350 NE2 GLN A 269 13.188 -6.089 2.571 1.00 1.87 N ATOM 0 H GLN A 269 10.474 -1.760 3.988 1.00 0.27 H new ATOM 0 HA GLN A 269 12.392 -2.390 6.059 1.00 0.34 H new ATOM 0 HB2 GLN A 269 11.208 -4.147 4.856 1.00 0.49 H new ATOM 0 HB3 GLN A 269 11.764 -3.530 3.314 1.00 0.49 H new ATOM 0 HG2 GLN A 269 14.089 -4.091 3.897 1.00 0.67 H new ATOM 0 HG3 GLN A 269 13.578 -4.643 5.480 1.00 0.67 H new ATOM 0 HE21 GLN A 269 13.488 -5.297 2.002 1.00 1.87 H new ATOM 0 HE22 GLN A 269 13.025 -6.997 2.136 1.00 1.87 H new ATOM 359 N SER A 270 14.349 -1.106 5.268 1.00 0.55 N ATOM 360 CA SER A 270 15.556 -0.431 4.831 1.00 0.70 C ATOM 361 C SER A 270 16.797 -1.264 5.148 1.00 0.83 C ATOM 362 O SER A 270 17.129 -1.478 6.314 1.00 1.17 O ATOM 363 CB SER A 270 15.653 0.940 5.508 1.00 0.96 C ATOM 364 OG SER A 270 14.422 1.646 5.409 1.00 1.10 O ATOM 0 H SER A 270 14.244 -1.171 6.280 1.00 0.55 H new ATOM 0 HA SER A 270 15.507 -0.299 3.750 1.00 0.70 H new ATOM 0 HB2 SER A 270 15.920 0.813 6.557 1.00 0.96 H new ATOM 0 HB3 SER A 270 16.449 1.523 5.044 1.00 0.96 H new ATOM 0 HG SER A 270 14.508 2.517 5.850 1.00 1.10 H new ATOM 370 N ASN A 271 17.467 -1.744 4.106 1.00 0.91 N ATOM 371 CA ASN A 271 18.680 -2.540 4.265 1.00 1.15 C ATOM 372 C ASN A 271 19.867 -1.627 4.588 1.00 1.04 C ATOM 373 O ASN A 271 19.676 -0.468 4.958 1.00 1.29 O ATOM 374 CB ASN A 271 18.956 -3.345 2.986 1.00 1.43 C ATOM 375 CG ASN A 271 19.804 -4.580 3.241 1.00 2.09 C ATOM 376 OD1 ASN A 271 19.751 -5.168 4.319 1.00 2.75 O ATOM 377 ND2 ASN A 271 20.597 -4.973 2.258 1.00 2.37 N ATOM 0 H ASN A 271 17.189 -1.595 3.136 1.00 0.91 H new ATOM 0 HA ASN A 271 18.541 -3.238 5.091 1.00 1.15 H new ATOM 0 HB2 ASN A 271 18.008 -3.646 2.540 1.00 1.43 H new ATOM 0 HB3 ASN A 271 19.461 -2.706 2.261 1.00 1.43 H new ATOM 0 HD21 ASN A 271 21.193 -5.791 2.380 1.00 2.37 H new ATOM 0 HD22 ASN A 271 20.612 -4.458 1.378 1.00 2.37 H new ATOM 384 N ASP A 272 21.082 -2.139 4.430 1.00 1.04 N ATOM 385 CA ASP A 272 22.295 -1.371 4.713 1.00 1.02 C ATOM 386 C ASP A 272 22.367 -0.104 3.858 1.00 1.00 C ATOM 387 O ASP A 272 22.804 0.946 4.326 1.00 1.14 O ATOM 388 CB ASP A 272 23.538 -2.241 4.479 1.00 1.26 C ATOM 389 CG ASP A 272 23.841 -2.457 3.012 1.00 1.61 C ATOM 390 OD1 ASP A 272 22.984 -3.017 2.299 1.00 2.08 O ATOM 391 OD2 ASP A 272 24.934 -2.059 2.565 1.00 1.91 O ATOM 0 H ASP A 272 21.257 -3.090 4.105 1.00 1.04 H new ATOM 0 HA ASP A 272 22.263 -1.066 5.759 1.00 1.02 H new ATOM 0 HB2 ASP A 272 24.398 -1.772 4.957 1.00 1.26 H new ATOM 0 HB3 ASP A 272 23.394 -3.208 4.961 1.00 1.26 H new ATOM 396 N ARG A 273 21.925 -0.203 2.608 1.00 1.07 N ATOM 397 CA ARG A 273 21.941 0.942 1.703 1.00 1.28 C ATOM 398 C ARG A 273 20.775 1.872 2.010 1.00 1.10 C ATOM 399 O ARG A 273 20.862 3.084 1.826 1.00 1.41 O ATOM 400 CB ARG A 273 21.848 0.495 0.242 1.00 1.59 C ATOM 401 CG ARG A 273 22.644 -0.756 -0.085 1.00 1.84 C ATOM 402 CD ARG A 273 22.284 -1.278 -1.464 1.00 1.60 C ATOM 403 NE ARG A 273 22.683 -2.670 -1.652 1.00 1.78 N ATOM 404 CZ ARG A 273 21.832 -3.694 -1.658 1.00 2.01 C ATOM 405 NH1 ARG A 273 20.535 -3.497 -1.447 1.00 1.92 N ATOM 406 NH2 ARG A 273 22.285 -4.924 -1.862 1.00 2.63 N ATOM 0 H ARG A 273 21.553 -1.060 2.200 1.00 1.07 H new ATOM 0 HA ARG A 273 22.885 1.467 1.853 1.00 1.28 H new ATOM 0 HB2 ARG A 273 20.801 0.319 -0.005 1.00 1.59 H new ATOM 0 HB3 ARG A 273 22.194 1.308 -0.396 1.00 1.59 H new ATOM 0 HG2 ARG A 273 23.711 -0.536 -0.042 1.00 1.84 H new ATOM 0 HG3 ARG A 273 22.446 -1.524 0.663 1.00 1.84 H new ATOM 0 HD2 ARG A 273 21.208 -1.187 -1.615 1.00 1.60 H new ATOM 0 HD3 ARG A 273 22.765 -0.659 -2.221 1.00 1.60 H new ATOM 0 HE ARG A 273 23.674 -2.870 -1.787 1.00 1.78 H new ATOM 0 HH11 ARG A 273 20.183 -2.555 -1.278 1.00 1.92 H new ATOM 0 HH12 ARG A 273 19.891 -4.288 -1.454 1.00 1.92 H new ATOM 0 HH21 ARG A 273 23.281 -5.082 -2.013 1.00 2.63 H new ATOM 0 HH22 ARG A 273 21.637 -5.712 -1.867 1.00 2.63 H new ATOM 420 N GLY A 274 19.689 1.290 2.489 1.00 0.89 N ATOM 421 CA GLY A 274 18.501 2.060 2.800 1.00 0.89 C ATOM 422 C GLY A 274 17.334 1.627 1.942 1.00 0.72 C ATOM 423 O GLY A 274 16.203 2.056 2.151 1.00 0.97 O ATOM 0 H GLY A 274 19.607 0.290 2.670 1.00 0.89 H new ATOM 0 HA2 GLY A 274 18.248 1.936 3.853 1.00 0.89 H new ATOM 0 HA3 GLY A 274 18.699 3.120 2.642 1.00 0.89 H new ATOM 427 N ASP A 275 17.623 0.769 0.973 1.00 0.65 N ATOM 428 CA ASP A 275 16.606 0.251 0.063 1.00 0.66 C ATOM 429 C ASP A 275 15.983 -1.015 0.638 1.00 0.69 C ATOM 430 O ASP A 275 16.450 -1.531 1.650 1.00 1.44 O ATOM 431 CB ASP A 275 17.229 -0.054 -1.303 1.00 0.91 C ATOM 432 CG ASP A 275 18.151 -1.258 -1.263 1.00 1.10 C ATOM 433 OD1 ASP A 275 19.224 -1.174 -0.625 1.00 1.75 O ATOM 434 OD2 ASP A 275 17.809 -2.292 -1.868 1.00 1.53 O ATOM 0 H ASP A 275 18.562 0.413 0.795 1.00 0.65 H new ATOM 0 HA ASP A 275 15.829 1.006 -0.059 1.00 0.66 H new ATOM 0 HB2 ASP A 275 16.436 -0.231 -2.029 1.00 0.91 H new ATOM 0 HB3 ASP A 275 17.788 0.817 -1.647 1.00 0.91 H new ATOM 439 N GLY A 276 14.937 -1.510 -0.008 1.00 0.48 N ATOM 440 CA GLY A 276 14.280 -2.714 0.461 1.00 0.43 C ATOM 441 C GLY A 276 12.873 -2.844 -0.078 1.00 0.37 C ATOM 442 O GLY A 276 12.543 -3.833 -0.734 1.00 0.52 O ATOM 0 H GLY A 276 14.531 -1.100 -0.849 1.00 0.48 H new ATOM 0 HA2 GLY A 276 14.864 -3.584 0.162 1.00 0.43 H new ATOM 0 HA3 GLY A 276 14.251 -2.709 1.551 1.00 0.43 H new ATOM 446 N GLY A 277 12.048 -1.843 0.191 1.00 0.30 N ATOM 447 CA GLY A 277 10.678 -1.864 -0.277 1.00 0.29 C ATOM 448 C GLY A 277 9.691 -1.733 0.864 1.00 0.24 C ATOM 449 O GLY A 277 10.045 -1.939 2.027 1.00 0.27 O ATOM 0 H GLY A 277 12.304 -1.014 0.727 1.00 0.30 H new ATOM 0 HA2 GLY A 277 10.524 -1.051 -0.986 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.492 -2.794 -0.814 1.00 0.29 H new ATOM 453 N ILE A 278 8.457 -1.384 0.540 1.00 0.21 N ATOM 454 CA ILE A 278 7.424 -1.228 1.549 1.00 0.19 C ATOM 455 C ILE A 278 6.552 -2.475 1.619 1.00 0.18 C ATOM 456 O ILE A 278 5.975 -2.910 0.619 1.00 0.23 O ATOM 457 CB ILE A 278 6.546 0.018 1.294 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.144 0.114 -0.181 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.284 1.275 1.731 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.055 1.135 -0.451 1.00 0.27 C ATOM 0 H ILE A 278 8.147 -1.203 -0.415 1.00 0.21 H new ATOM 0 HA ILE A 278 7.928 -1.087 2.505 1.00 0.19 H new ATOM 0 HB ILE A 278 5.634 -0.077 1.883 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.023 0.369 -0.772 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.805 -0.865 -0.520 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.657 2.147 1.547 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.514 1.211 2.795 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.211 1.368 1.165 1.00 0.23 H new ATOM 0 HD11 ILE A 278 4.823 1.147 -1.516 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.160 0.870 0.112 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.398 2.123 -0.144 1.00 0.27 H new ATOM 472 N TYR A 279 6.472 -3.052 2.803 1.00 0.15 N ATOM 473 CA TYR A 279 5.689 -4.256 3.020 1.00 0.16 C ATOM 474 C TYR A 279 4.474 -3.956 3.888 1.00 0.15 C ATOM 475 O TYR A 279 4.467 -2.987 4.647 1.00 0.18 O ATOM 476 CB TYR A 279 6.545 -5.336 3.690 1.00 0.19 C ATOM 477 CG TYR A 279 7.691 -5.832 2.835 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.878 -5.117 2.750 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.588 -7.019 2.117 1.00 0.44 C ATOM 480 CE1 TYR A 279 9.927 -5.562 1.970 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.633 -7.471 1.335 1.00 0.57 C ATOM 482 CZ TYR A 279 9.801 -6.742 1.267 1.00 0.55 C ATOM 483 OH TYR A 279 10.844 -7.187 0.485 1.00 0.72 O ATOM 0 H TYR A 279 6.944 -2.703 3.637 1.00 0.15 H new ATOM 0 HA TYR A 279 5.350 -4.619 2.050 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.946 -4.940 4.623 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.907 -6.181 3.950 1.00 0.19 H new ATOM 0 HD1 TYR A 279 8.983 -4.196 3.304 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.677 -7.596 2.172 1.00 0.44 H new ATOM 0 HE1 TYR A 279 10.841 -4.989 1.911 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.535 -8.392 0.779 1.00 0.57 H new ATOM 0 HH TYR A 279 10.685 -6.934 -0.448 1.00 0.72 H new ATOM 493 N ILE A 280 3.454 -4.787 3.768 1.00 0.16 N ATOM 494 CA ILE A 280 2.240 -4.628 4.549 1.00 0.16 C ATOM 495 C ILE A 280 2.425 -5.252 5.926 1.00 0.17 C ATOM 496 O ILE A 280 2.688 -6.450 6.041 1.00 0.21 O ATOM 497 CB ILE A 280 1.027 -5.283 3.846 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.801 -4.651 2.468 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.228 -5.163 4.702 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.560 -3.156 2.514 1.00 0.24 C ATOM 0 H ILE A 280 3.443 -5.585 3.132 1.00 0.16 H new ATOM 0 HA ILE A 280 2.043 -3.561 4.649 1.00 0.16 H new ATOM 0 HB ILE A 280 1.244 -6.343 3.710 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.669 -4.851 1.840 1.00 0.21 H new ATOM 0 HG13 ILE A 280 -0.053 -5.133 1.993 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.066 -5.631 4.186 1.00 0.21 H new ATOM 0 HG22 ILE A 280 -0.066 -5.662 5.657 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.451 -4.110 4.876 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.409 -2.781 1.502 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.326 -2.949 3.114 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.424 -2.662 2.959 1.00 0.24 H new ATOM 512 N GLY A 281 2.323 -4.432 6.960 1.00 0.20 N ATOM 513 CA GLY A 281 2.483 -4.927 8.307 1.00 0.23 C ATOM 514 C GLY A 281 1.171 -5.386 8.906 1.00 0.24 C ATOM 515 O GLY A 281 0.681 -6.470 8.594 1.00 0.42 O ATOM 0 H GLY A 281 2.132 -3.433 6.889 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.190 -5.756 8.306 1.00 0.23 H new ATOM 0 HA3 GLY A 281 2.912 -4.143 8.932 1.00 0.23 H new ATOM 519 N SER A 282 0.598 -4.556 9.758 1.00 0.25 N ATOM 520 CA SER A 282 -0.659 -4.881 10.410 1.00 0.29 C ATOM 521 C SER A 282 -1.850 -4.435 9.562 1.00 0.26 C ATOM 522 O SER A 282 -1.826 -3.357 8.960 1.00 0.30 O ATOM 523 CB SER A 282 -0.705 -4.199 11.778 1.00 0.35 C ATOM 524 OG SER A 282 0.607 -3.900 12.233 1.00 0.75 O ATOM 0 H SER A 282 0.984 -3.648 10.016 1.00 0.25 H new ATOM 0 HA SER A 282 -0.722 -5.962 10.533 1.00 0.29 H new ATOM 0 HB2 SER A 282 -1.291 -3.282 11.714 1.00 0.35 H new ATOM 0 HB3 SER A 282 -1.206 -4.847 12.497 1.00 0.35 H new ATOM 0 HG SER A 282 0.558 -3.463 13.109 1.00 0.75 H new ATOM 530 N ILE A 283 -2.875 -5.273 9.500 1.00 0.24 N ATOM 531 CA ILE A 283 -4.080 -4.960 8.746 1.00 0.23 C ATOM 532 C ILE A 283 -5.200 -4.593 9.713 1.00 0.23 C ATOM 533 O ILE A 283 -5.455 -5.318 10.678 1.00 0.30 O ATOM 534 CB ILE A 283 -4.525 -6.145 7.860 1.00 0.27 C ATOM 535 CG1 ILE A 283 -3.410 -6.517 6.879 1.00 0.32 C ATOM 536 CG2 ILE A 283 -5.806 -5.801 7.109 1.00 0.29 C ATOM 537 CD1 ILE A 283 -3.734 -7.712 6.011 1.00 0.53 C ATOM 0 H ILE A 283 -2.895 -6.180 9.966 1.00 0.24 H new ATOM 0 HA ILE A 283 -3.859 -4.119 8.089 1.00 0.23 H new ATOM 0 HB ILE A 283 -4.726 -7.003 8.501 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.202 -5.660 6.238 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -2.499 -6.724 7.440 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.104 -6.648 6.490 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -6.598 -5.578 7.824 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -5.634 -4.931 6.475 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -2.897 -7.914 5.343 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -3.913 -8.582 6.642 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -4.626 -7.502 5.421 1.00 0.53 H new ATOM 549 N MET A 284 -5.853 -3.467 9.463 1.00 0.20 N ATOM 550 CA MET A 284 -6.931 -2.999 10.322 1.00 0.21 C ATOM 551 C MET A 284 -8.287 -3.427 9.785 1.00 0.22 C ATOM 552 O MET A 284 -8.638 -3.130 8.642 1.00 0.23 O ATOM 553 CB MET A 284 -6.883 -1.475 10.458 1.00 0.24 C ATOM 554 CG MET A 284 -5.880 -0.987 11.487 1.00 0.35 C ATOM 555 SD MET A 284 -6.268 -1.554 13.156 1.00 0.54 S ATOM 556 CE MET A 284 -4.879 -2.640 13.471 1.00 0.74 C ATOM 0 H MET A 284 -5.654 -2.859 8.669 1.00 0.20 H new ATOM 0 HA MET A 284 -6.793 -3.450 11.305 1.00 0.21 H new ATOM 0 HB2 MET A 284 -6.638 -1.040 9.489 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.874 -1.112 10.729 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.884 -1.334 11.212 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.853 0.103 11.474 1.00 0.35 H new ATOM 0 HE1 MET A 284 -4.973 -3.071 14.468 1.00 0.74 H new ATOM 0 HE2 MET A 284 -4.867 -3.439 12.730 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.951 -2.072 13.407 1.00 0.74 H new ATOM 566 N LYS A 285 -9.046 -4.129 10.616 1.00 0.28 N ATOM 567 CA LYS A 285 -10.371 -4.592 10.234 1.00 0.33 C ATOM 568 C LYS A 285 -11.308 -3.399 10.069 1.00 0.33 C ATOM 569 O LYS A 285 -11.489 -2.607 10.994 1.00 0.46 O ATOM 570 CB LYS A 285 -10.919 -5.557 11.290 1.00 0.43 C ATOM 571 CG LYS A 285 -12.049 -6.445 10.789 1.00 0.49 C ATOM 572 CD LYS A 285 -11.588 -7.355 9.663 1.00 0.63 C ATOM 573 CE LYS A 285 -12.519 -8.543 9.483 1.00 0.83 C ATOM 574 NZ LYS A 285 -13.884 -8.129 9.060 1.00 1.01 N ATOM 0 H LYS A 285 -8.765 -4.390 11.561 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.302 -5.121 9.284 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.106 -6.188 11.648 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.275 -4.981 12.144 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -12.430 -7.049 11.612 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -12.874 -5.823 10.441 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -11.538 -6.788 8.734 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -10.580 -7.712 9.873 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -12.100 -9.221 8.739 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -12.583 -9.097 10.419 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -14.484 -8.971 8.950 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -14.296 -7.503 9.781 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -13.828 -7.623 8.153 1.00 1.01 H new ATOM 588 N GLY A 286 -11.888 -3.272 8.889 1.00 0.33 N ATOM 589 CA GLY A 286 -12.782 -2.168 8.612 1.00 0.35 C ATOM 590 C GLY A 286 -12.316 -1.365 7.422 1.00 0.30 C ATOM 591 O GLY A 286 -13.098 -0.646 6.798 1.00 0.36 O ATOM 0 H GLY A 286 -11.755 -3.918 8.111 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -13.786 -2.549 8.425 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -12.845 -1.521 9.487 1.00 0.35 H new ATOM 595 N GLY A 287 -11.033 -1.490 7.106 1.00 0.26 N ATOM 596 CA GLY A 287 -10.474 -0.774 5.979 1.00 0.24 C ATOM 597 C GLY A 287 -10.809 -1.437 4.660 1.00 0.22 C ATOM 598 O GLY A 287 -11.366 -2.535 4.629 1.00 0.24 O ATOM 0 H GLY A 287 -10.369 -2.076 7.612 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.852 0.249 5.976 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.391 -0.714 6.089 1.00 0.24 H new ATOM 602 N ALA A 288 -10.470 -0.775 3.565 1.00 0.21 N ATOM 603 CA ALA A 288 -10.745 -1.304 2.239 1.00 0.22 C ATOM 604 C ALA A 288 -9.993 -2.611 2.002 1.00 0.22 C ATOM 605 O ALA A 288 -10.515 -3.533 1.374 1.00 0.25 O ATOM 606 CB ALA A 288 -10.386 -0.277 1.180 1.00 0.24 C ATOM 0 H ALA A 288 -10.003 0.132 3.569 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.812 -1.518 2.170 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.596 -0.685 0.191 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -10.977 0.626 1.333 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.326 -0.033 1.254 1.00 0.24 H new ATOM 612 N VAL A 289 -8.782 -2.689 2.538 1.00 0.20 N ATOM 613 CA VAL A 289 -7.945 -3.876 2.394 1.00 0.21 C ATOM 614 C VAL A 289 -8.546 -5.068 3.141 1.00 0.23 C ATOM 615 O VAL A 289 -8.475 -6.209 2.677 1.00 0.26 O ATOM 616 CB VAL A 289 -6.519 -3.606 2.916 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.640 -4.839 2.770 1.00 0.23 C ATOM 618 CG2 VAL A 289 -5.902 -2.417 2.191 1.00 0.20 C ATOM 0 H VAL A 289 -8.354 -1.939 3.081 1.00 0.20 H new ATOM 0 HA VAL A 289 -7.897 -4.116 1.332 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.587 -3.367 3.977 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.641 -4.620 3.146 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.070 -5.662 3.341 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.579 -5.120 1.719 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -4.896 -2.241 2.572 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -5.854 -2.627 1.123 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.514 -1.531 2.359 1.00 0.20 H new ATOM 628 N ALA A 290 -9.171 -4.789 4.280 1.00 0.23 N ATOM 629 CA ALA A 290 -9.776 -5.832 5.101 1.00 0.27 C ATOM 630 C ALA A 290 -11.053 -6.381 4.469 1.00 0.29 C ATOM 631 O ALA A 290 -11.589 -7.399 4.912 1.00 0.37 O ATOM 632 CB ALA A 290 -10.066 -5.301 6.496 1.00 0.29 C ATOM 0 H ALA A 290 -9.272 -3.846 4.657 1.00 0.23 H new ATOM 0 HA ALA A 290 -9.063 -6.653 5.170 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.517 -6.089 7.099 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.136 -4.975 6.962 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -10.753 -4.457 6.429 1.00 0.29 H new ATOM 638 N ALA A 291 -11.544 -5.703 3.443 1.00 0.29 N ATOM 639 CA ALA A 291 -12.750 -6.139 2.753 1.00 0.32 C ATOM 640 C ALA A 291 -12.392 -6.983 1.537 1.00 0.32 C ATOM 641 O ALA A 291 -13.253 -7.611 0.924 1.00 0.41 O ATOM 642 CB ALA A 291 -13.591 -4.938 2.346 1.00 0.38 C ATOM 0 H ALA A 291 -11.127 -4.850 3.070 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.338 -6.754 3.435 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.489 -5.280 1.831 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -13.875 -4.374 3.235 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -13.013 -4.298 1.680 1.00 0.38 H new ATOM 648 N ASP A 292 -11.109 -6.995 1.203 1.00 0.31 N ATOM 649 CA ASP A 292 -10.627 -7.755 0.061 1.00 0.32 C ATOM 650 C ASP A 292 -10.317 -9.190 0.475 1.00 0.30 C ATOM 651 O ASP A 292 -11.096 -10.106 0.205 1.00 0.38 O ATOM 652 CB ASP A 292 -9.386 -7.093 -0.534 1.00 0.37 C ATOM 653 CG ASP A 292 -9.001 -7.695 -1.865 1.00 0.43 C ATOM 654 OD1 ASP A 292 -8.220 -8.668 -1.878 1.00 0.45 O ATOM 655 OD2 ASP A 292 -9.483 -7.199 -2.905 1.00 0.55 O ATOM 0 H ASP A 292 -10.383 -6.486 1.708 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.407 -7.773 -0.700 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -9.570 -6.026 -0.659 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.554 -7.193 0.163 1.00 0.37 H new ATOM 660 N GLY A 293 -9.181 -9.383 1.139 1.00 0.29 N ATOM 661 CA GLY A 293 -8.807 -10.708 1.595 1.00 0.33 C ATOM 662 C GLY A 293 -7.569 -11.261 0.913 1.00 0.33 C ATOM 663 O GLY A 293 -6.972 -12.223 1.399 1.00 0.39 O ATOM 0 H GLY A 293 -8.514 -8.646 1.369 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.635 -10.677 2.671 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.640 -11.390 1.425 1.00 0.33 H new ATOM 667 N ARG A 294 -7.174 -10.671 -0.209 1.00 0.31 N ATOM 668 CA ARG A 294 -6.002 -11.150 -0.935 1.00 0.32 C ATOM 669 C ARG A 294 -4.709 -10.616 -0.322 1.00 0.30 C ATOM 670 O ARG A 294 -3.697 -11.318 -0.283 1.00 0.37 O ATOM 671 CB ARG A 294 -6.091 -10.769 -2.417 1.00 0.35 C ATOM 672 CG ARG A 294 -7.167 -11.537 -3.172 1.00 0.41 C ATOM 673 CD ARG A 294 -7.436 -10.930 -4.539 1.00 0.44 C ATOM 674 NE ARG A 294 -8.268 -9.729 -4.459 1.00 0.43 N ATOM 675 CZ ARG A 294 -9.038 -9.286 -5.456 1.00 0.54 C ATOM 676 NH1 ARG A 294 -9.081 -9.937 -6.613 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.763 -8.188 -5.296 1.00 0.58 N ATOM 0 H ARG A 294 -7.641 -9.869 -0.633 1.00 0.31 H new ATOM 0 HA ARG A 294 -5.985 -12.237 -0.855 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.291 -9.701 -2.499 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.126 -10.949 -2.890 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -6.858 -12.576 -3.289 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -8.088 -11.542 -2.589 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.488 -10.682 -5.017 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -7.928 -11.669 -5.172 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.259 -9.198 -3.588 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.524 -10.781 -6.744 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -9.671 -9.593 -7.370 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.733 -7.681 -4.411 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -10.351 -7.850 -6.058 1.00 0.58 H new ATOM 691 N ILE A 295 -4.750 -9.383 0.158 1.00 0.26 N ATOM 692 CA ILE A 295 -3.580 -8.767 0.778 1.00 0.25 C ATOM 693 C ILE A 295 -3.426 -9.252 2.217 1.00 0.25 C ATOM 694 O ILE A 295 -4.400 -9.305 2.969 1.00 0.29 O ATOM 695 CB ILE A 295 -3.669 -7.223 0.757 1.00 0.25 C ATOM 696 CG1 ILE A 295 -3.943 -6.731 -0.668 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.386 -6.604 1.302 1.00 0.27 C ATOM 698 CD1 ILE A 295 -4.170 -5.238 -0.767 1.00 0.37 C ATOM 0 H ILE A 295 -5.578 -8.787 0.132 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.707 -9.065 0.197 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.494 -6.912 1.398 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -3.101 -7.004 -1.304 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -4.819 -7.249 -1.059 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.468 -5.517 1.279 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.230 -6.935 2.329 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.542 -6.917 0.688 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.357 -4.967 -1.806 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -5.030 -4.960 -0.158 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.286 -4.711 -0.408 1.00 0.37 H new ATOM 710 N GLU A 296 -2.207 -9.613 2.585 1.00 0.24 N ATOM 711 CA GLU A 296 -1.915 -10.106 3.924 1.00 0.26 C ATOM 712 C GLU A 296 -0.586 -9.534 4.422 1.00 0.24 C ATOM 713 O GLU A 296 0.167 -8.943 3.645 1.00 0.22 O ATOM 714 CB GLU A 296 -1.853 -11.635 3.895 1.00 0.31 C ATOM 715 CG GLU A 296 -0.551 -12.179 3.331 1.00 0.36 C ATOM 716 CD GLU A 296 -0.621 -13.657 3.043 1.00 0.49 C ATOM 717 OE1 GLU A 296 -1.268 -14.035 2.047 1.00 0.56 O ATOM 718 OE2 GLU A 296 -0.026 -14.445 3.805 1.00 0.69 O ATOM 0 H GLU A 296 -1.395 -9.573 1.969 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.703 -9.787 4.606 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -1.988 -12.015 4.908 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -2.684 -12.013 3.299 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -0.304 -11.644 2.414 1.00 0.36 H new ATOM 0 HG3 GLU A 296 0.256 -11.987 4.038 1.00 0.36 H new ATOM 725 N PRO A 297 -0.277 -9.685 5.724 1.00 0.26 N ATOM 726 CA PRO A 297 0.987 -9.199 6.283 1.00 0.27 C ATOM 727 C PRO A 297 2.187 -9.869 5.618 1.00 0.27 C ATOM 728 O PRO A 297 2.251 -11.100 5.521 1.00 0.41 O ATOM 729 CB PRO A 297 0.910 -9.588 7.761 1.00 0.32 C ATOM 730 CG PRO A 297 -0.533 -9.813 8.037 1.00 0.34 C ATOM 731 CD PRO A 297 -1.125 -10.316 6.752 1.00 0.32 C ATOM 0 HA PRO A 297 1.120 -8.128 6.128 1.00 0.27 H new ATOM 0 HB2 PRO A 297 1.493 -10.487 7.961 1.00 0.32 H new ATOM 0 HB3 PRO A 297 1.313 -8.799 8.396 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -0.669 -10.538 8.840 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -1.018 -8.890 8.356 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.091 -11.404 6.691 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.170 -10.024 6.648 1.00 0.32 H new ATOM 739 N GLY A 298 3.123 -9.060 5.150 1.00 0.27 N ATOM 740 CA GLY A 298 4.300 -9.589 4.492 1.00 0.28 C ATOM 741 C GLY A 298 4.304 -9.304 3.007 1.00 0.25 C ATOM 742 O GLY A 298 5.334 -9.450 2.347 1.00 0.29 O ATOM 0 H GLY A 298 3.089 -8.043 5.214 1.00 0.27 H new ATOM 0 HA2 GLY A 298 5.192 -9.157 4.945 1.00 0.28 H new ATOM 0 HA3 GLY A 298 4.351 -10.666 4.653 1.00 0.28 H new ATOM 746 N ASP A 299 3.146 -8.906 2.478 1.00 0.22 N ATOM 747 CA ASP A 299 3.020 -8.590 1.057 1.00 0.22 C ATOM 748 C ASP A 299 3.774 -7.305 0.750 1.00 0.20 C ATOM 749 O ASP A 299 3.768 -6.371 1.552 1.00 0.21 O ATOM 750 CB ASP A 299 1.549 -8.423 0.651 1.00 0.24 C ATOM 751 CG ASP A 299 0.772 -9.729 0.609 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.390 -10.814 0.633 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.474 -9.677 0.547 1.00 0.28 O ATOM 0 H ASP A 299 2.284 -8.795 3.012 1.00 0.22 H new ATOM 0 HA ASP A 299 3.443 -9.418 0.488 1.00 0.22 H new ATOM 0 HB2 ASP A 299 1.063 -7.744 1.352 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.504 -7.953 -0.331 1.00 0.24 H new ATOM 758 N MET A 300 4.420 -7.253 -0.401 1.00 0.21 N ATOM 759 CA MET A 300 5.179 -6.071 -0.789 1.00 0.21 C ATOM 760 C MET A 300 4.396 -5.227 -1.789 1.00 0.19 C ATOM 761 O MET A 300 3.854 -5.750 -2.763 1.00 0.21 O ATOM 762 CB MET A 300 6.529 -6.478 -1.386 1.00 0.27 C ATOM 763 CG MET A 300 7.389 -5.301 -1.816 1.00 0.32 C ATOM 764 SD MET A 300 9.112 -5.761 -2.101 1.00 0.50 S ATOM 765 CE MET A 300 8.929 -7.093 -3.286 1.00 1.26 C ATOM 0 H MET A 300 4.436 -8.011 -1.083 1.00 0.21 H new ATOM 0 HA MET A 300 5.354 -5.471 0.104 1.00 0.21 H new ATOM 0 HB2 MET A 300 7.078 -7.068 -0.652 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.355 -7.123 -2.247 1.00 0.27 H new ATOM 0 HG2 MET A 300 6.977 -4.870 -2.728 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.346 -4.527 -1.050 1.00 0.32 H new ATOM 0 HE1 MET A 300 9.739 -7.047 -4.014 1.00 1.26 H new ATOM 0 HE2 MET A 300 8.963 -8.050 -2.766 1.00 1.26 H new ATOM 0 HE3 MET A 300 7.973 -6.994 -3.801 1.00 1.26 H new ATOM 775 N LEU A 301 4.331 -3.925 -1.539 1.00 0.19 N ATOM 776 CA LEU A 301 3.624 -3.007 -2.424 1.00 0.19 C ATOM 777 C LEU A 301 4.556 -2.521 -3.522 1.00 0.20 C ATOM 778 O LEU A 301 5.601 -1.931 -3.245 1.00 0.24 O ATOM 779 CB LEU A 301 3.073 -1.807 -1.645 1.00 0.23 C ATOM 780 CG LEU A 301 1.642 -1.960 -1.119 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.291 -0.802 -0.196 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.646 -2.040 -2.272 1.00 0.47 C ATOM 0 H LEU A 301 4.761 -3.480 -0.728 1.00 0.19 H new ATOM 0 HA LEU A 301 2.786 -3.543 -2.869 1.00 0.19 H new ATOM 0 HB2 LEU A 301 3.733 -1.611 -0.800 1.00 0.23 H new ATOM 0 HB3 LEU A 301 3.112 -0.929 -2.290 1.00 0.23 H new ATOM 0 HG LEU A 301 1.584 -2.890 -0.553 1.00 0.33 H new ATOM 0 HD11 LEU A 301 0.272 -0.924 0.170 1.00 0.48 H new ATOM 0 HD12 LEU A 301 1.980 -0.788 0.648 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.369 0.137 -0.744 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.363 -2.148 -1.874 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.705 -1.129 -2.868 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.883 -2.900 -2.899 1.00 0.47 H new ATOM 794 N LEU A 302 4.185 -2.784 -4.762 1.00 0.20 N ATOM 795 CA LEU A 302 4.990 -2.368 -5.901 1.00 0.22 C ATOM 796 C LEU A 302 4.401 -1.120 -6.537 1.00 0.22 C ATOM 797 O LEU A 302 4.966 -0.032 -6.444 1.00 0.29 O ATOM 798 CB LEU A 302 5.067 -3.484 -6.945 1.00 0.27 C ATOM 799 CG LEU A 302 5.506 -4.852 -6.423 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.380 -5.889 -7.523 1.00 0.53 C ATOM 801 CD2 LEU A 302 6.934 -4.806 -5.895 1.00 0.46 C ATOM 0 H LEU A 302 3.331 -3.284 -5.008 1.00 0.20 H new ATOM 0 HA LEU A 302 5.995 -2.149 -5.542 1.00 0.22 H new ATOM 0 HB2 LEU A 302 4.086 -3.590 -7.409 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.759 -3.176 -7.729 1.00 0.27 H new ATOM 0 HG LEU A 302 4.854 -5.130 -5.595 1.00 0.37 H new ATOM 0 HD11 LEU A 302 5.695 -6.861 -7.144 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.342 -5.946 -7.852 1.00 0.53 H new ATOM 0 HD13 LEU A 302 6.012 -5.606 -8.364 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.219 -5.793 -5.530 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.609 -4.506 -6.697 1.00 0.46 H new ATOM 0 HD23 LEU A 302 6.997 -4.086 -5.079 1.00 0.46 H new ATOM 813 N GLN A 303 3.246 -1.283 -7.159 1.00 0.21 N ATOM 814 CA GLN A 303 2.576 -0.183 -7.829 1.00 0.22 C ATOM 815 C GLN A 303 1.291 0.185 -7.099 1.00 0.21 C ATOM 816 O GLN A 303 0.507 -0.691 -6.722 1.00 0.25 O ATOM 817 CB GLN A 303 2.270 -0.570 -9.278 1.00 0.27 C ATOM 818 CG GLN A 303 1.698 0.558 -10.121 1.00 0.32 C ATOM 819 CD GLN A 303 1.285 0.101 -11.509 1.00 0.51 C ATOM 820 OE1 GLN A 303 0.368 0.658 -12.109 1.00 0.68 O ATOM 821 NE2 GLN A 303 1.955 -0.913 -12.033 1.00 0.73 N ATOM 0 H GLN A 303 2.750 -2.173 -7.214 1.00 0.21 H new ATOM 0 HA GLN A 303 3.234 0.686 -7.822 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.186 -0.929 -9.747 1.00 0.27 H new ATOM 0 HB3 GLN A 303 1.565 -1.401 -9.278 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.834 0.985 -9.611 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.440 1.352 -10.210 1.00 0.32 H new ATOM 0 HE21 GLN A 303 2.711 -1.352 -11.506 1.00 0.73 H new ATOM 0 HE22 GLN A 303 1.716 -1.256 -12.963 1.00 0.73 H new ATOM 830 N VAL A 304 1.091 1.477 -6.891 1.00 0.20 N ATOM 831 CA VAL A 304 -0.098 1.971 -6.217 1.00 0.21 C ATOM 832 C VAL A 304 -0.820 2.972 -7.105 1.00 0.22 C ATOM 833 O VAL A 304 -0.493 4.155 -7.120 1.00 0.26 O ATOM 834 CB VAL A 304 0.239 2.636 -4.864 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.013 3.204 -4.221 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.918 1.646 -3.929 1.00 0.27 C ATOM 0 H VAL A 304 1.742 2.206 -7.182 1.00 0.20 H new ATOM 0 HA VAL A 304 -0.741 1.113 -6.020 1.00 0.21 H new ATOM 0 HB VAL A 304 0.932 3.456 -5.052 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -0.755 3.668 -3.269 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.454 3.951 -4.881 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -1.731 2.401 -4.050 1.00 0.29 H new ATOM 0 HG21 VAL A 304 1.146 2.137 -2.983 1.00 0.27 H new ATOM 0 HG22 VAL A 304 0.253 0.801 -3.749 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.842 1.290 -4.385 1.00 0.27 H new ATOM 846 N ASN A 305 -1.788 2.472 -7.856 1.00 0.27 N ATOM 847 CA ASN A 305 -2.585 3.288 -8.763 1.00 0.33 C ATOM 848 C ASN A 305 -1.717 3.990 -9.803 1.00 0.31 C ATOM 849 O ASN A 305 -1.478 5.197 -9.715 1.00 0.34 O ATOM 850 CB ASN A 305 -3.423 4.316 -7.995 1.00 0.39 C ATOM 851 CG ASN A 305 -4.842 4.395 -8.517 1.00 0.78 C ATOM 852 OD1 ASN A 305 -5.446 3.378 -8.859 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.381 5.600 -8.597 1.00 1.14 N ATOM 0 H ASN A 305 -2.045 1.485 -7.855 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.260 2.611 -9.287 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -3.440 4.053 -6.937 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -2.953 5.297 -8.072 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.331 5.711 -8.952 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -4.847 6.418 -8.303 1.00 1.14 H new ATOM 860 N ASP A 306 -1.223 3.202 -10.756 1.00 0.32 N ATOM 861 CA ASP A 306 -0.402 3.691 -11.876 1.00 0.35 C ATOM 862 C ASP A 306 1.050 3.965 -11.490 1.00 0.31 C ATOM 863 O ASP A 306 1.964 3.538 -12.197 1.00 0.35 O ATOM 864 CB ASP A 306 -1.011 4.937 -12.521 1.00 0.42 C ATOM 865 CG ASP A 306 -2.287 4.636 -13.273 1.00 0.66 C ATOM 866 OD1 ASP A 306 -2.360 3.579 -13.935 1.00 1.06 O ATOM 867 OD2 ASP A 306 -3.231 5.456 -13.205 1.00 1.11 O ATOM 0 H ASP A 306 -1.380 2.194 -10.778 1.00 0.32 H new ATOM 0 HA ASP A 306 -0.396 2.878 -12.602 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.215 5.679 -11.749 1.00 0.42 H new ATOM 0 HB3 ASP A 306 -0.286 5.379 -13.205 1.00 0.42 H new ATOM 872 N VAL A 307 1.276 4.681 -10.396 1.00 0.30 N ATOM 873 CA VAL A 307 2.640 4.998 -9.974 1.00 0.29 C ATOM 874 C VAL A 307 3.329 3.791 -9.341 1.00 0.25 C ATOM 875 O VAL A 307 2.766 3.113 -8.479 1.00 0.28 O ATOM 876 CB VAL A 307 2.695 6.206 -9.004 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.310 7.486 -9.723 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.800 5.988 -7.798 1.00 0.53 C ATOM 0 H VAL A 307 0.544 5.051 -9.789 1.00 0.30 H new ATOM 0 HA VAL A 307 3.178 5.273 -10.881 1.00 0.29 H new ATOM 0 HB VAL A 307 3.721 6.299 -8.648 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.355 8.323 -9.026 1.00 0.71 H new ATOM 0 HG12 VAL A 307 3.002 7.663 -10.547 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.297 7.393 -10.114 1.00 0.71 H new ATOM 0 HG21 VAL A 307 1.862 6.853 -7.138 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.770 5.856 -8.129 1.00 0.53 H new ATOM 0 HG23 VAL A 307 2.125 5.097 -7.260 1.00 0.53 H new ATOM 888 N ASN A 308 4.544 3.517 -9.798 1.00 0.25 N ATOM 889 CA ASN A 308 5.323 2.391 -9.295 1.00 0.25 C ATOM 890 C ASN A 308 6.402 2.878 -8.333 1.00 0.24 C ATOM 891 O ASN A 308 7.068 3.882 -8.590 1.00 0.33 O ATOM 892 CB ASN A 308 5.965 1.628 -10.460 1.00 0.33 C ATOM 893 CG ASN A 308 6.427 0.241 -10.063 1.00 0.46 C ATOM 894 OD1 ASN A 308 6.486 -0.092 -8.885 1.00 0.58 O ATOM 895 ND2 ASN A 308 6.780 -0.573 -11.041 1.00 0.74 N ATOM 0 H ASN A 308 5.014 4.062 -10.520 1.00 0.25 H new ATOM 0 HA ASN A 308 4.653 1.719 -8.759 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.247 1.548 -11.277 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.815 2.196 -10.837 1.00 0.33 H new ATOM 0 HD21 ASN A 308 7.115 -1.512 -10.827 1.00 0.74 H new ATOM 0 HD22 ASN A 308 6.718 -0.262 -12.011 1.00 0.74 H new ATOM 902 N PHE A 309 6.578 2.162 -7.230 1.00 0.22 N ATOM 903 CA PHE A 309 7.574 2.528 -6.234 1.00 0.24 C ATOM 904 C PHE A 309 8.747 1.549 -6.245 1.00 0.26 C ATOM 905 O PHE A 309 9.589 1.568 -5.346 1.00 0.30 O ATOM 906 CB PHE A 309 6.944 2.573 -4.839 1.00 0.28 C ATOM 907 CG PHE A 309 5.809 3.549 -4.722 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.965 4.868 -5.124 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.585 3.149 -4.208 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.923 5.765 -5.014 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.540 4.045 -4.094 1.00 0.33 C ATOM 912 CZ PHE A 309 3.708 5.353 -4.500 1.00 0.33 C ATOM 0 H PHE A 309 6.043 1.324 -7.003 1.00 0.22 H new ATOM 0 HA PHE A 309 7.951 3.519 -6.486 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.584 1.577 -4.580 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.712 2.833 -4.111 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.912 5.196 -5.527 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.447 2.125 -3.893 1.00 0.31 H new ATOM 0 HE1 PHE A 309 5.057 6.789 -5.329 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.593 3.722 -3.688 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.891 6.054 -4.416 1.00 0.33 H new ATOM 922 N GLU A 310 8.817 0.723 -7.287 1.00 0.29 N ATOM 923 CA GLU A 310 9.888 -0.269 -7.427 1.00 0.33 C ATOM 924 C GLU A 310 11.252 0.386 -7.690 1.00 0.35 C ATOM 925 O GLU A 310 12.238 -0.303 -7.952 1.00 0.47 O ATOM 926 CB GLU A 310 9.562 -1.250 -8.560 1.00 0.40 C ATOM 927 CG GLU A 310 8.530 -2.305 -8.183 1.00 0.54 C ATOM 928 CD GLU A 310 8.198 -3.236 -9.337 1.00 0.67 C ATOM 929 OE1 GLU A 310 9.055 -4.069 -9.701 1.00 1.21 O ATOM 930 OE2 GLU A 310 7.086 -3.131 -9.899 1.00 1.04 O ATOM 0 H GLU A 310 8.142 0.719 -8.052 1.00 0.29 H new ATOM 0 HA GLU A 310 9.952 -0.807 -6.481 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.196 -0.689 -9.420 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.480 -1.748 -8.872 1.00 0.40 H new ATOM 0 HG2 GLU A 310 8.905 -2.891 -7.344 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.619 -1.812 -7.845 1.00 0.54 H new ATOM 937 N ASN A 311 11.306 1.708 -7.630 1.00 0.35 N ATOM 938 CA ASN A 311 12.550 2.434 -7.852 1.00 0.41 C ATOM 939 C ASN A 311 12.547 3.732 -7.055 1.00 0.37 C ATOM 940 O ASN A 311 13.092 4.749 -7.485 1.00 0.48 O ATOM 941 CB ASN A 311 12.743 2.724 -9.343 1.00 0.54 C ATOM 942 CG ASN A 311 14.210 2.840 -9.733 1.00 0.89 C ATOM 943 OD1 ASN A 311 15.051 3.268 -8.939 1.00 1.27 O ATOM 944 ND2 ASN A 311 14.529 2.453 -10.956 1.00 1.32 N ATOM 0 H ASN A 311 10.502 2.302 -7.429 1.00 0.35 H new ATOM 0 HA ASN A 311 13.381 1.815 -7.512 1.00 0.41 H new ATOM 0 HB2 ASN A 311 12.278 1.930 -9.927 1.00 0.54 H new ATOM 0 HB3 ASN A 311 12.229 3.651 -9.598 1.00 0.54 H new ATOM 0 HD21 ASN A 311 15.498 2.503 -11.270 1.00 1.32 H new ATOM 0 HD22 ASN A 311 13.806 2.104 -11.585 1.00 1.32 H new ATOM 951 N MET A 312 11.920 3.697 -5.888 1.00 0.30 N ATOM 952 CA MET A 312 11.844 4.872 -5.032 1.00 0.28 C ATOM 953 C MET A 312 12.164 4.503 -3.591 1.00 0.26 C ATOM 954 O MET A 312 12.075 3.335 -3.211 1.00 0.34 O ATOM 955 CB MET A 312 10.457 5.510 -5.118 1.00 0.28 C ATOM 956 CG MET A 312 10.260 6.371 -6.358 1.00 0.39 C ATOM 957 SD MET A 312 8.544 6.873 -6.600 1.00 0.37 S ATOM 958 CE MET A 312 8.278 7.913 -5.165 1.00 0.51 C ATOM 0 H MET A 312 11.457 2.869 -5.513 1.00 0.30 H new ATOM 0 HA MET A 312 12.582 5.596 -5.379 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.703 4.723 -5.108 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.291 6.121 -4.231 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.886 7.260 -6.280 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.599 5.819 -7.235 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.319 8.423 -5.258 1.00 0.51 H new ATOM 0 HE2 MET A 312 8.276 7.298 -4.265 1.00 0.51 H new ATOM 0 HE3 MET A 312 9.077 8.652 -5.098 1.00 0.51 H new ATOM 968 N SER A 313 12.548 5.497 -2.800 1.00 0.26 N ATOM 969 CA SER A 313 12.884 5.283 -1.402 1.00 0.28 C ATOM 970 C SER A 313 11.640 4.902 -0.598 1.00 0.24 C ATOM 971 O SER A 313 10.520 5.268 -0.963 1.00 0.26 O ATOM 972 CB SER A 313 13.513 6.554 -0.835 1.00 0.36 C ATOM 973 OG SER A 313 13.909 7.418 -1.886 1.00 0.97 O ATOM 0 H SER A 313 12.634 6.466 -3.108 1.00 0.26 H new ATOM 0 HA SER A 313 13.596 4.461 -1.329 1.00 0.28 H new ATOM 0 HB2 SER A 313 12.800 7.063 -0.186 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.376 6.298 -0.221 1.00 0.36 H new ATOM 0 HG SER A 313 13.439 8.273 -1.801 1.00 0.97 H new ATOM 979 N ASN A 314 11.851 4.172 0.492 1.00 0.26 N ATOM 980 CA ASN A 314 10.759 3.731 1.362 1.00 0.27 C ATOM 981 C ASN A 314 9.912 4.913 1.815 1.00 0.25 C ATOM 982 O ASN A 314 8.684 4.866 1.766 1.00 0.33 O ATOM 983 CB ASN A 314 11.321 3.001 2.590 1.00 0.35 C ATOM 984 CG ASN A 314 11.919 1.649 2.250 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.513 0.999 1.291 1.00 0.45 O ATOM 986 ND2 ASN A 314 12.894 1.215 3.031 1.00 0.48 N ATOM 0 H ASN A 314 12.776 3.869 0.799 1.00 0.26 H new ATOM 0 HA ASN A 314 10.129 3.049 0.791 1.00 0.27 H new ATOM 0 HB2 ASN A 314 12.084 3.623 3.058 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.525 2.867 3.323 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.334 0.314 2.845 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.206 1.782 3.820 1.00 0.48 H new ATOM 993 N ASP A 315 10.582 5.974 2.247 1.00 0.26 N ATOM 994 CA ASP A 315 9.902 7.178 2.711 1.00 0.28 C ATOM 995 C ASP A 315 9.080 7.802 1.588 1.00 0.23 C ATOM 996 O ASP A 315 7.901 8.111 1.763 1.00 0.24 O ATOM 997 CB ASP A 315 10.923 8.191 3.231 1.00 0.37 C ATOM 998 CG ASP A 315 10.346 9.100 4.298 1.00 0.83 C ATOM 999 OD1 ASP A 315 10.391 8.725 5.487 1.00 1.40 O ATOM 1000 OD2 ASP A 315 9.859 10.196 3.958 1.00 1.36 O ATOM 0 H ASP A 315 11.600 6.026 2.286 1.00 0.26 H new ATOM 0 HA ASP A 315 9.228 6.899 3.521 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.783 7.659 3.637 1.00 0.37 H new ATOM 0 HB3 ASP A 315 11.286 8.796 2.400 1.00 0.37 H new ATOM 1005 N ASP A 316 9.712 7.957 0.426 1.00 0.23 N ATOM 1006 CA ASP A 316 9.059 8.546 -0.747 1.00 0.24 C ATOM 1007 C ASP A 316 7.812 7.765 -1.137 1.00 0.19 C ATOM 1008 O ASP A 316 6.796 8.348 -1.519 1.00 0.20 O ATOM 1009 CB ASP A 316 10.024 8.587 -1.936 1.00 0.32 C ATOM 1010 CG ASP A 316 11.023 9.722 -1.853 1.00 0.50 C ATOM 1011 OD1 ASP A 316 10.600 10.894 -1.790 1.00 0.69 O ATOM 1012 OD2 ASP A 316 12.239 9.442 -1.868 1.00 0.88 O ATOM 0 H ASP A 316 10.682 7.682 0.269 1.00 0.23 H new ATOM 0 HA ASP A 316 8.766 9.562 -0.481 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.562 7.641 -1.992 1.00 0.32 H new ATOM 0 HB3 ASP A 316 9.451 8.683 -2.858 1.00 0.32 H new ATOM 1017 N ALA A 317 7.893 6.447 -1.024 1.00 0.17 N ATOM 1018 CA ALA A 317 6.782 5.571 -1.368 1.00 0.16 C ATOM 1019 C ALA A 317 5.535 5.893 -0.546 1.00 0.14 C ATOM 1020 O ALA A 317 4.455 6.097 -1.103 1.00 0.17 O ATOM 1021 CB ALA A 317 7.184 4.118 -1.170 1.00 0.20 C ATOM 0 H ALA A 317 8.725 5.957 -0.694 1.00 0.17 H new ATOM 0 HA ALA A 317 6.537 5.737 -2.417 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.347 3.470 -1.430 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.035 3.885 -1.810 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.459 3.955 -0.128 1.00 0.20 H new ATOM 1027 N VAL A 318 5.684 5.960 0.777 1.00 0.12 N ATOM 1028 CA VAL A 318 4.545 6.248 1.649 1.00 0.12 C ATOM 1029 C VAL A 318 4.079 7.692 1.493 1.00 0.11 C ATOM 1030 O VAL A 318 2.902 7.995 1.698 1.00 0.14 O ATOM 1031 CB VAL A 318 4.844 5.962 3.139 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.568 5.574 3.870 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.896 4.873 3.282 1.00 0.21 C ATOM 0 H VAL A 318 6.570 5.821 1.264 1.00 0.12 H new ATOM 0 HA VAL A 318 3.749 5.574 1.332 1.00 0.12 H new ATOM 0 HB VAL A 318 5.239 6.873 3.589 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.795 5.376 4.918 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.848 6.389 3.803 1.00 0.18 H new ATOM 0 HG13 VAL A 318 3.146 4.678 3.414 1.00 0.18 H new ATOM 0 HG21 VAL A 318 6.089 4.690 4.339 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.536 3.956 2.815 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.818 5.191 2.795 1.00 0.21 H new ATOM 1043 N ARG A 319 4.998 8.576 1.119 1.00 0.12 N ATOM 1044 CA ARG A 319 4.671 9.984 0.917 1.00 0.16 C ATOM 1045 C ARG A 319 3.579 10.125 -0.139 1.00 0.14 C ATOM 1046 O ARG A 319 2.609 10.861 0.045 1.00 0.22 O ATOM 1047 CB ARG A 319 5.906 10.777 0.477 1.00 0.21 C ATOM 1048 CG ARG A 319 6.896 11.065 1.597 1.00 0.35 C ATOM 1049 CD ARG A 319 8.077 11.879 1.091 1.00 0.40 C ATOM 1050 NE ARG A 319 9.183 11.905 2.048 1.00 0.50 N ATOM 1051 CZ ARG A 319 10.237 12.713 1.945 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.358 13.529 0.908 1.00 0.83 N ATOM 1053 NH2 ARG A 319 11.178 12.691 2.880 1.00 0.81 N ATOM 0 H ARG A 319 5.976 8.343 0.949 1.00 0.12 H new ATOM 0 HA ARG A 319 4.316 10.385 1.867 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.417 10.224 -0.311 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.581 11.723 0.043 1.00 0.21 H new ATOM 0 HG2 ARG A 319 6.394 11.607 2.399 1.00 0.35 H new ATOM 0 HG3 ARG A 319 7.253 10.126 2.021 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.426 11.461 0.147 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.752 12.899 0.887 1.00 0.40 H new ATOM 0 HE ARG A 319 9.145 11.266 2.842 1.00 0.50 H new ATOM 0 HH11 ARG A 319 9.641 13.541 0.182 1.00 0.83 H new ATOM 0 HH12 ARG A 319 11.168 14.145 0.836 1.00 0.83 H new ATOM 0 HH21 ARG A 319 11.093 12.057 3.674 1.00 0.81 H new ATOM 0 HH22 ARG A 319 11.987 13.308 2.804 1.00 0.81 H new ATOM 1067 N VAL A 320 3.745 9.406 -1.242 1.00 0.10 N ATOM 1068 CA VAL A 320 2.773 9.438 -2.325 1.00 0.10 C ATOM 1069 C VAL A 320 1.559 8.585 -1.966 1.00 0.09 C ATOM 1070 O VAL A 320 0.419 8.955 -2.250 1.00 0.11 O ATOM 1071 CB VAL A 320 3.386 8.938 -3.651 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.436 9.169 -4.814 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.720 9.617 -3.912 1.00 0.17 C ATOM 0 H VAL A 320 4.544 8.794 -1.409 1.00 0.10 H new ATOM 0 HA VAL A 320 2.464 10.474 -2.463 1.00 0.10 H new ATOM 0 HB VAL A 320 3.554 7.865 -3.560 1.00 0.14 H new ATOM 0 HG11 VAL A 320 2.894 8.807 -5.735 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.505 8.631 -4.636 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.227 10.235 -4.907 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.137 9.252 -4.851 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.573 10.695 -3.975 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.408 9.392 -3.098 1.00 0.17 H new ATOM 1083 N LEU A 321 1.817 7.451 -1.317 1.00 0.08 N ATOM 1084 CA LEU A 321 0.763 6.525 -0.903 1.00 0.09 C ATOM 1085 C LEU A 321 -0.309 7.235 -0.084 1.00 0.09 C ATOM 1086 O LEU A 321 -1.495 7.171 -0.410 1.00 0.10 O ATOM 1087 CB LEU A 321 1.355 5.381 -0.073 1.00 0.11 C ATOM 1088 CG LEU A 321 0.381 4.267 0.321 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.406 3.785 -0.884 1.00 0.38 C ATOM 1090 CD2 LEU A 321 1.139 3.110 0.949 1.00 0.29 C ATOM 0 H LEU A 321 2.758 7.149 -1.064 1.00 0.08 H new ATOM 0 HA LEU A 321 0.304 6.125 -1.807 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.176 4.937 -0.636 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.783 5.802 0.837 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.323 4.669 1.050 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -1.091 2.994 -0.579 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.974 4.615 -1.303 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.281 3.399 -1.637 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.438 2.323 1.226 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.861 2.717 0.233 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.663 3.459 1.839 1.00 0.29 H new ATOM 1102 N ARG A 322 0.118 7.930 0.965 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.809 8.633 1.840 1.00 0.12 C ATOM 1104 C ARG A 322 -1.573 9.713 1.085 1.00 0.13 C ATOM 1105 O ARG A 322 -2.747 9.956 1.360 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.073 9.233 3.041 1.00 0.15 C ATOM 1107 CG ARG A 322 0.637 8.191 3.890 1.00 0.19 C ATOM 1108 CD ARG A 322 1.003 8.738 5.261 1.00 0.34 C ATOM 1109 NE ARG A 322 -0.079 8.556 6.229 1.00 0.49 N ATOM 1110 CZ ARG A 322 -0.229 9.294 7.330 1.00 1.05 C ATOM 1111 NH1 ARG A 322 0.637 10.260 7.611 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -1.252 9.068 8.146 1.00 1.28 N ATOM 0 H ARG A 322 1.099 8.021 1.229 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.533 7.906 2.207 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.656 9.961 2.685 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.786 9.774 3.663 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.004 7.317 4.006 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.540 7.858 3.378 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.901 8.238 5.623 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.240 9.799 5.177 1.00 0.34 H new ATOM 0 HE ARG A 322 -0.761 7.819 6.051 1.00 0.49 H new ATOM 0 HH11 ARG A 322 1.421 10.440 6.984 1.00 1.57 H new ATOM 0 HH12 ARG A 322 0.518 10.822 8.454 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -1.923 8.330 7.931 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -1.367 9.632 8.988 1.00 1.28 H new ATOM 1126 N GLU A 323 -0.914 10.346 0.123 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.546 11.385 -0.676 1.00 0.15 C ATOM 1128 C GLU A 323 -2.649 10.791 -1.546 1.00 0.14 C ATOM 1129 O GLU A 323 -3.720 11.376 -1.694 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.512 12.087 -1.553 1.00 0.20 C ATOM 1131 CG GLU A 323 0.399 13.028 -0.783 1.00 0.62 C ATOM 1132 CD GLU A 323 -0.310 14.291 -0.341 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -0.311 15.274 -1.109 1.00 1.76 O ATOM 1134 OE2 GLU A 323 -0.861 14.310 0.780 1.00 1.87 O ATOM 0 H GLU A 323 0.058 10.157 -0.122 1.00 0.12 H new ATOM 0 HA GLU A 323 -1.987 12.116 0.001 1.00 0.15 H new ATOM 0 HB2 GLU A 323 0.097 11.335 -2.055 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -1.029 12.650 -2.330 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.793 12.511 0.092 1.00 0.62 H new ATOM 0 HG3 GLU A 323 1.252 13.294 -1.407 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.379 9.615 -2.102 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.337 8.923 -2.956 1.00 0.14 C ATOM 1143 C ILE A 324 -4.538 8.435 -2.146 1.00 0.14 C ATOM 1144 O ILE A 324 -5.683 8.605 -2.557 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.682 7.722 -3.673 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.570 8.210 -4.604 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.720 6.919 -4.451 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.780 7.092 -5.243 1.00 0.29 C ATOM 0 H ILE A 324 -1.497 9.118 -1.975 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.677 9.638 -3.705 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.247 7.065 -2.920 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -2.009 8.827 -5.388 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -0.889 8.848 -4.040 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.233 6.079 -4.947 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.480 6.545 -3.765 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.190 7.559 -5.198 1.00 0.23 H new ATOM 0 HD11 ILE A 324 -0.010 7.514 -5.889 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.311 6.488 -4.466 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.448 6.467 -5.835 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.268 7.850 -0.985 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.329 7.338 -0.122 1.00 0.13 C ATOM 1162 C VAL A 325 -6.220 8.476 0.395 1.00 0.16 C ATOM 1163 O VAL A 325 -7.378 8.264 0.759 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.749 6.513 1.057 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.858 5.975 1.952 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.900 5.370 0.523 1.00 0.16 C ATOM 0 H VAL A 325 -3.325 7.718 -0.619 1.00 0.11 H new ATOM 0 HA VAL A 325 -5.947 6.672 -0.724 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.124 7.172 1.659 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.420 5.401 2.769 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.432 6.807 2.360 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.516 5.331 1.369 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.497 4.796 1.357 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.515 4.721 -0.101 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.079 5.773 -0.071 1.00 0.16 H new ATOM 1176 N SER A 326 -5.690 9.691 0.390 1.00 0.19 N ATOM 1177 CA SER A 326 -6.441 10.852 0.846 1.00 0.24 C ATOM 1178 C SER A 326 -7.313 11.416 -0.284 1.00 0.27 C ATOM 1179 O SER A 326 -8.039 12.392 -0.089 1.00 0.44 O ATOM 1180 CB SER A 326 -5.487 11.930 1.371 1.00 0.32 C ATOM 1181 OG SER A 326 -4.684 11.432 2.433 1.00 0.37 O ATOM 0 H SER A 326 -4.742 9.898 0.075 1.00 0.19 H new ATOM 0 HA SER A 326 -7.096 10.538 1.658 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.847 12.279 0.561 1.00 0.32 H new ATOM 0 HB3 SER A 326 -6.061 12.790 1.717 1.00 0.32 H new ATOM 0 HG SER A 326 -3.980 10.856 2.068 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.248 10.793 -1.456 1.00 0.27 N ATOM 1188 CA GLN A 327 -8.029 11.238 -2.604 1.00 0.32 C ATOM 1189 C GLN A 327 -9.296 10.404 -2.746 1.00 0.34 C ATOM 1190 O GLN A 327 -9.408 9.324 -2.168 1.00 0.53 O ATOM 1191 CB GLN A 327 -7.196 11.151 -3.887 1.00 0.41 C ATOM 1192 CG GLN A 327 -5.891 11.928 -3.821 1.00 0.63 C ATOM 1193 CD GLN A 327 -6.082 13.377 -3.410 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -7.064 14.020 -3.787 1.00 1.16 O ATOM 1195 NE2 GLN A 327 -5.154 13.891 -2.622 1.00 0.94 N ATOM 0 H GLN A 327 -6.662 9.978 -1.636 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.312 12.278 -2.440 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -6.975 10.104 -4.096 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -7.790 11.525 -4.721 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -5.220 11.441 -3.113 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -5.405 11.894 -4.796 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -4.357 13.323 -2.334 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -5.234 14.856 -2.302 1.00 0.94 H new ATOM 1204 N THR A 328 -10.247 10.911 -3.515 1.00 0.42 N ATOM 1205 CA THR A 328 -11.510 10.222 -3.732 1.00 0.49 C ATOM 1206 C THR A 328 -11.505 9.473 -5.061 1.00 0.51 C ATOM 1207 O THR A 328 -11.355 10.081 -6.124 1.00 0.84 O ATOM 1208 CB THR A 328 -12.682 11.221 -3.713 1.00 0.66 C ATOM 1209 OG1 THR A 328 -12.358 12.367 -4.516 1.00 0.88 O ATOM 1210 CG2 THR A 328 -12.988 11.663 -2.289 1.00 0.89 C ATOM 0 H THR A 328 -10.167 11.803 -4.002 1.00 0.42 H new ATOM 0 HA THR A 328 -11.636 9.502 -2.923 1.00 0.49 H new ATOM 0 HB THR A 328 -13.564 10.728 -4.122 1.00 0.66 H new ATOM 0 HG1 THR A 328 -11.940 12.073 -5.352 1.00 0.88 H new ATOM 0 HG21 THR A 328 -13.819 12.368 -2.298 1.00 0.89 H new ATOM 0 HG22 THR A 328 -13.256 10.794 -1.688 1.00 0.89 H new ATOM 0 HG23 THR A 328 -12.109 12.143 -1.860 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.655 8.158 -4.996 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.672 7.352 -6.200 1.00 0.44 C ATOM 1220 C GLY A 329 -11.226 5.929 -5.936 1.00 0.39 C ATOM 1221 O GLY A 329 -10.685 5.643 -4.869 1.00 0.43 O ATOM 0 H GLY A 329 -11.766 7.633 -4.128 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.679 7.345 -6.617 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -11.020 7.803 -6.948 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.465 5.004 -6.876 1.00 0.40 N ATOM 1226 CA PRO A 330 -11.057 3.606 -6.721 1.00 0.39 C ATOM 1227 C PRO A 330 -9.542 3.451 -6.821 1.00 0.36 C ATOM 1228 O PRO A 330 -8.920 3.927 -7.773 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.756 2.898 -7.882 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.991 3.954 -8.906 1.00 0.58 C ATOM 1231 CD PRO A 330 -12.149 5.250 -8.160 1.00 0.52 C ATOM 0 HA PRO A 330 -11.326 3.198 -5.747 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -11.138 2.094 -8.281 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.695 2.448 -7.560 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -11.156 4.009 -9.605 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.883 3.733 -9.492 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -11.696 6.081 -8.701 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -13.199 5.501 -8.012 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.948 2.792 -5.839 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.506 2.603 -5.821 1.00 0.25 C ATOM 1241 C ILE A 331 -7.132 1.155 -6.119 1.00 0.25 C ATOM 1242 O ILE A 331 -7.685 0.223 -5.529 1.00 0.30 O ATOM 1243 CB ILE A 331 -6.898 3.008 -4.458 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.403 4.393 -4.035 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.375 2.996 -4.526 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -7.017 4.773 -2.621 1.00 0.35 C ATOM 0 H ILE A 331 -9.440 2.380 -5.046 1.00 0.27 H new ATOM 0 HA ILE A 331 -7.098 3.248 -6.600 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.216 2.280 -3.711 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -7.009 5.140 -4.724 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.489 4.418 -4.125 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -4.965 3.284 -3.558 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.030 1.994 -4.783 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -5.039 3.701 -5.286 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.408 5.764 -2.391 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.434 4.048 -1.923 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -5.931 4.781 -2.530 1.00 0.35 H new ATOM 1258 N SER A 332 -6.209 0.975 -7.051 1.00 0.28 N ATOM 1259 CA SER A 332 -5.732 -0.348 -7.412 1.00 0.31 C ATOM 1260 C SER A 332 -4.344 -0.562 -6.817 1.00 0.27 C ATOM 1261 O SER A 332 -3.456 0.282 -6.967 1.00 0.31 O ATOM 1262 CB SER A 332 -5.701 -0.518 -8.936 1.00 0.41 C ATOM 1263 OG SER A 332 -5.437 -1.865 -9.294 1.00 1.09 O ATOM 0 H SER A 332 -5.774 1.735 -7.573 1.00 0.28 H new ATOM 0 HA SER A 332 -6.414 -1.097 -7.009 1.00 0.31 H new ATOM 0 HB2 SER A 332 -6.656 -0.206 -9.359 1.00 0.41 H new ATOM 0 HB3 SER A 332 -4.936 0.131 -9.362 1.00 0.41 H new ATOM 0 HG SER A 332 -5.692 -2.456 -8.555 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.161 -1.680 -6.134 1.00 0.27 N ATOM 1270 CA LEU A 333 -2.888 -1.985 -5.505 1.00 0.26 C ATOM 1271 C LEU A 333 -2.240 -3.207 -6.135 1.00 0.26 C ATOM 1272 O LEU A 333 -2.853 -4.271 -6.231 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.079 -2.219 -4.006 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.636 -1.027 -3.221 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -3.969 -1.440 -1.799 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.642 0.121 -3.213 1.00 0.39 C ATOM 0 H LEU A 333 -4.879 -2.392 -6.001 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.230 -1.130 -5.657 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -3.750 -3.067 -3.870 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.119 -2.500 -3.574 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.549 -0.691 -3.712 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.364 -0.582 -1.254 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -4.716 -2.234 -1.816 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -3.067 -1.801 -1.304 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -3.057 0.957 -2.650 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.713 -0.205 -2.746 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -2.442 0.436 -4.237 1.00 0.39 H new ATOM 1288 N THR A 334 -1.005 -3.042 -6.576 1.00 0.24 N ATOM 1289 CA THR A 334 -0.254 -4.130 -7.173 1.00 0.26 C ATOM 1290 C THR A 334 0.711 -4.689 -6.136 1.00 0.26 C ATOM 1291 O THR A 334 1.791 -4.133 -5.911 1.00 0.28 O ATOM 1292 CB THR A 334 0.519 -3.649 -8.413 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.243 -2.643 -9.090 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.797 -4.794 -9.369 1.00 0.42 C ATOM 0 H THR A 334 -0.499 -2.158 -6.531 1.00 0.24 H new ATOM 0 HA THR A 334 -0.946 -4.909 -7.494 1.00 0.26 H new ATOM 0 HB THR A 334 1.473 -3.240 -8.080 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.044 -2.672 -10.049 1.00 0.50 H new ATOM 0 HG21 THR A 334 1.344 -4.421 -10.234 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.393 -5.554 -8.863 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.146 -5.231 -9.697 1.00 0.42 H new ATOM 1302 N VAL A 335 0.306 -5.771 -5.489 1.00 0.26 N ATOM 1303 CA VAL A 335 1.111 -6.381 -4.443 1.00 0.28 C ATOM 1304 C VAL A 335 1.878 -7.600 -4.942 1.00 0.28 C ATOM 1305 O VAL A 335 1.456 -8.285 -5.877 1.00 0.32 O ATOM 1306 CB VAL A 335 0.248 -6.794 -3.226 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.368 -5.569 -2.562 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.829 -7.792 -3.639 1.00 0.31 C ATOM 0 H VAL A 335 -0.578 -6.246 -5.671 1.00 0.26 H new ATOM 0 HA VAL A 335 1.827 -5.619 -4.136 1.00 0.28 H new ATOM 0 HB VAL A 335 0.896 -7.282 -2.498 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.970 -5.882 -1.709 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.424 -4.903 -2.222 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -0.999 -5.045 -3.280 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.423 -8.068 -2.768 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.476 -7.339 -4.390 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.359 -8.683 -4.055 1.00 0.31 H new ATOM 1318 N ALA A 336 3.013 -7.849 -4.311 1.00 0.28 N ATOM 1319 CA ALA A 336 3.855 -8.980 -4.638 1.00 0.31 C ATOM 1320 C ALA A 336 3.828 -9.972 -3.485 1.00 0.33 C ATOM 1321 O ALA A 336 4.293 -9.666 -2.385 1.00 0.38 O ATOM 1322 CB ALA A 336 5.280 -8.528 -4.911 1.00 0.34 C ATOM 0 H ALA A 336 3.375 -7.268 -3.555 1.00 0.28 H new ATOM 0 HA ALA A 336 3.475 -9.459 -5.541 1.00 0.31 H new ATOM 0 HB1 ALA A 336 5.896 -9.394 -5.155 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.286 -7.831 -5.749 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.681 -8.035 -4.026 1.00 0.34 H new ATOM 1328 N LYS A 337 3.253 -11.136 -3.729 1.00 0.36 N ATOM 1329 CA LYS A 337 3.152 -12.169 -2.709 1.00 0.40 C ATOM 1330 C LYS A 337 4.140 -13.289 -2.990 1.00 0.47 C ATOM 1331 O LYS A 337 4.067 -13.882 -4.090 1.00 0.60 O ATOM 1332 CB LYS A 337 1.728 -12.728 -2.663 1.00 0.41 C ATOM 1333 CG LYS A 337 0.663 -11.658 -2.479 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.734 -12.256 -2.454 1.00 0.41 C ATOM 1335 CE LYS A 337 -0.969 -13.099 -1.211 1.00 0.39 C ATOM 1336 NZ LYS A 337 -0.965 -12.280 0.025 1.00 0.38 N ATOM 1337 OXT LYS A 337 4.984 -13.576 -2.117 1.00 0.70 O ATOM 0 H LYS A 337 2.846 -11.392 -4.629 1.00 0.36 H new ATOM 0 HA LYS A 337 3.390 -11.726 -1.742 1.00 0.40 H new ATOM 0 HB2 LYS A 337 1.530 -13.272 -3.586 1.00 0.41 H new ATOM 0 HB3 LYS A 337 1.654 -13.447 -1.847 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.845 -11.119 -1.549 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.734 -10.931 -3.288 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.472 -11.455 -2.494 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -0.882 -12.870 -3.342 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -1.924 -13.617 -1.300 1.00 0.39 H new ATOM 0 HE3 LYS A 337 -0.196 -13.865 -1.141 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.404 -12.818 0.799 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 0.015 -12.042 0.281 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.503 -11.405 -0.137 1.00 0.38 H new TER 1351 LYS A 337 HETATM 1352 C1 PHQ B 1 1.948 4.380 7.861 1.00 0.19 C HETATM 1353 O1 PHQ B 1 1.938 3.165 8.069 1.00 0.22 O HETATM 1354 O2 PHQ B 1 3.261 5.116 7.618 1.00 0.26 O HETATM 1355 C2 PHQ B 1 4.393 4.145 7.299 1.00 0.31 C HETATM 1356 C3 PHQ B 1 5.770 4.764 7.371 1.00 0.38 C HETATM 1357 C4 PHQ B 1 5.960 5.988 8.036 1.00 1.30 C HETATM 1358 C5 PHQ B 1 7.251 6.530 8.158 1.00 1.42 C HETATM 1359 C6 PHQ B 1 8.342 5.896 7.535 1.00 0.84 C HETATM 1360 C7 PHQ B 1 8.149 4.687 6.844 1.00 1.38 C HETATM 1361 C8 PHQ B 1 6.868 4.111 6.778 1.00 1.29 C HETATM 0 H81 PHQ B 1 6.725 3.159 6.268 1.00 1.29 H new HETATM 0 H71 PHQ B 1 8.993 4.196 6.359 1.00 1.38 H new HETATM 0 H61 PHQ B 1 9.335 6.342 7.588 1.00 0.84 H new HETATM 0 H51 PHQ B 1 7.407 7.441 8.735 1.00 1.42 H new HETATM 0 H41 PHQ B 1 5.105 6.517 8.457 1.00 1.30 H new HETATM 0 H22 PHQ B 1 4.346 3.306 7.994 1.00 0.31 H new HETATM 0 H21 PHQ B 1 4.240 3.739 6.299 1.00 0.31 H new ATOM 1369 N TRP B 2 0.807 5.064 7.853 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.489 4.432 8.085 1.00 0.13 C ATOM 1371 C TRP B 2 -1.551 5.049 7.189 1.00 0.14 C ATOM 1372 O TRP B 2 -1.610 6.275 7.046 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.913 4.611 9.547 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.396 3.557 10.479 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.828 3.520 11.082 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -1.096 2.393 10.924 1.00 0.24 C ATOM 1377 NE1 TRP B 2 0.931 2.397 11.867 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.238 1.693 11.790 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.369 1.875 10.673 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.611 0.502 12.404 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.738 0.693 11.284 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.862 0.018 12.143 1.00 0.39 C ATOM 0 HA TRP B 2 -0.392 3.371 7.857 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.570 5.585 9.895 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -2.002 4.620 9.598 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.602 4.264 10.960 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.747 2.132 12.418 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -3.052 2.390 10.013 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.064 -0.022 13.064 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.719 0.282 11.096 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.181 -0.903 12.608 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.372 4.209 6.580 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.453 4.676 5.723 1.00 0.11 C ATOM 1395 C VAL B 3 -4.567 3.645 5.689 1.00 0.14 C ATOM 1396 O VAL B 3 -5.721 4.015 5.399 1.00 0.24 O ATOM 1397 CB VAL B 3 -3.007 4.988 4.273 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.707 6.467 4.110 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.810 4.149 3.838 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.277 2.466 5.966 1.00 0.27 O ATOM 0 H VAL B 3 -2.311 3.194 6.663 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.801 5.613 6.158 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.839 4.721 3.622 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.396 6.664 3.084 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.602 7.047 4.335 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -1.908 6.754 4.793 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.538 4.407 2.814 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.966 4.348 4.499 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.069 3.091 3.889 1.00 0.11 H new TER 1410 VAL B 3