USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 317 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 322 MET CE :methyl -159:sc= -0.16 (180deg=-0.719) USER MOD Single : A 311 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 312 ASN : amide:sc= -0.604 K(o=-0.6,f=-5.6!) USER MOD Single : A 319 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 323 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 327 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 331 GLN :FLIP amide:sc= -0.0317 F(o=-1.6!,f=-0.032) USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 333 SER OG : rot -107:sc= 0.249 USER MOD Single : A 336 MET CE :methyl 157:sc= -0.13 (180deg=-0.693) USER MOD Single : A 337 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 339 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 342 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 344 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 345 ASN : amide:sc= 0.113 K(o=0.11,f=-4.2!) USER MOD Single : A 346 GLN : amide:sc= 0.84 K(o=0.84,f=-0.051) USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 350 SER OG : rot 151:sc= 0.123 USER MOD Single : A 352 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 353 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 354 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.7) USER MOD Single : A 355 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 356 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 358 ASN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 359 MET CE :methyl -159:sc= -0.152 (180deg=-0.738) USER MOD Single : A 360 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 -23.967 -15.827 4.109 1.00 15.10 N ATOM 2 CA MET A 311 -25.390 -15.716 3.737 1.00 14.91 C ATOM 3 C MET A 311 -25.511 -15.480 2.239 1.00 14.01 C ATOM 4 O MET A 311 -24.516 -15.589 1.519 1.00 13.92 O ATOM 5 CB MET A 311 -26.063 -14.578 4.519 1.00 15.49 C ATOM 6 CG MET A 311 -25.698 -13.177 4.042 1.00 16.12 C ATOM 7 SD MET A 311 -23.952 -12.774 4.260 1.00 16.98 S ATOM 8 CE MET A 311 -23.881 -11.184 3.433 1.00 17.92 C ATOM 0 HA MET A 311 -25.897 -16.647 3.990 1.00 14.91 H new ATOM 0 HB2 MET A 311 -27.144 -14.700 4.453 1.00 15.49 H new ATOM 0 HB3 MET A 311 -25.795 -14.670 5.572 1.00 15.49 H new ATOM 0 HG2 MET A 311 -25.956 -13.082 2.987 1.00 16.12 H new ATOM 0 HG3 MET A 311 -26.301 -12.449 4.584 1.00 16.12 H new ATOM 0 HE1 MET A 311 -22.864 -10.795 3.478 1.00 17.92 H new ATOM 0 HE2 MET A 311 -24.178 -11.302 2.391 1.00 17.92 H new ATOM 0 HE3 MET A 311 -24.558 -10.487 3.926 1.00 17.92 H new ATOM 20 N ASN A 312 -26.719 -15.186 1.766 1.00 13.49 N ATOM 21 CA ASN A 312 -26.917 -14.809 0.369 1.00 12.74 C ATOM 22 C ASN A 312 -25.970 -13.670 -0.007 1.00 12.32 C ATOM 23 O ASN A 312 -25.622 -12.836 0.832 1.00 12.29 O ATOM 24 CB ASN A 312 -28.374 -14.403 0.105 1.00 12.63 C ATOM 25 CG ASN A 312 -28.801 -13.159 0.868 1.00 12.56 C ATOM 26 OD1 ASN A 312 -28.634 -12.036 0.392 1.00 12.43 O ATOM 27 ND2 ASN A 312 -29.370 -13.352 2.050 1.00 12.87 N ATOM 0 H ASN A 312 -27.572 -15.201 2.326 1.00 13.49 H new ATOM 0 HA ASN A 312 -26.693 -15.676 -0.252 1.00 12.74 H new ATOM 0 HB2 ASN A 312 -28.507 -14.229 -0.963 1.00 12.63 H new ATOM 0 HB3 ASN A 312 -29.029 -15.230 0.378 1.00 12.63 H new ATOM 0 HD21 ASN A 312 -29.687 -12.554 2.600 1.00 12.87 H new ATOM 0 HD22 ASN A 312 -29.490 -14.299 2.410 1.00 12.87 H new ATOM 34 N PHE A 313 -25.566 -13.631 -1.268 1.00 12.16 N ATOM 35 CA PHE A 313 -24.505 -12.731 -1.699 1.00 11.96 C ATOM 36 C PHE A 313 -25.006 -11.309 -1.913 1.00 11.11 C ATOM 37 O PHE A 313 -24.957 -10.778 -3.023 1.00 11.29 O ATOM 38 CB PHE A 313 -23.860 -13.260 -2.981 1.00 12.55 C ATOM 39 CG PHE A 313 -23.257 -14.628 -2.829 1.00 13.17 C ATOM 40 CD1 PHE A 313 -21.998 -14.786 -2.274 1.00 13.49 C ATOM 41 CD2 PHE A 313 -23.946 -15.754 -3.250 1.00 13.57 C ATOM 42 CE1 PHE A 313 -21.438 -16.042 -2.137 1.00 14.21 C ATOM 43 CE2 PHE A 313 -23.390 -17.012 -3.114 1.00 14.27 C ATOM 44 CZ PHE A 313 -22.135 -17.155 -2.559 1.00 14.59 C ATOM 0 H PHE A 313 -25.956 -14.211 -2.011 1.00 12.16 H new ATOM 0 HA PHE A 313 -23.763 -12.696 -0.902 1.00 11.96 H new ATOM 0 HB2 PHE A 313 -24.611 -13.288 -3.771 1.00 12.55 H new ATOM 0 HB3 PHE A 313 -23.085 -12.564 -3.302 1.00 12.55 H new ATOM 0 HD1 PHE A 313 -21.447 -13.917 -1.944 1.00 13.49 H new ATOM 0 HD2 PHE A 313 -24.927 -15.648 -3.689 1.00 13.57 H new ATOM 0 HE1 PHE A 313 -20.456 -16.152 -1.700 1.00 14.21 H new ATOM 0 HE2 PHE A 313 -23.938 -17.883 -3.442 1.00 14.27 H new ATOM 0 HZ PHE A 313 -21.699 -18.137 -2.455 1.00 14.59 H new ATOM 54 N GLY A 314 -25.499 -10.702 -0.840 1.00 10.31 N ATOM 55 CA GLY A 314 -25.915 -9.316 -0.893 1.00 9.52 C ATOM 56 C GLY A 314 -27.216 -9.127 -1.640 1.00 8.89 C ATOM 57 O GLY A 314 -27.551 -8.014 -2.030 1.00 8.22 O ATOM 0 H GLY A 314 -25.618 -11.149 0.069 1.00 10.31 H new ATOM 0 HA2 GLY A 314 -26.025 -8.934 0.122 1.00 9.52 H new ATOM 0 HA3 GLY A 314 -25.135 -8.725 -1.373 1.00 9.52 H new ATOM 61 N ALA A 315 -27.954 -10.216 -1.826 1.00 9.30 N ATOM 62 CA ALA A 315 -29.174 -10.202 -2.628 1.00 9.10 C ATOM 63 C ALA A 315 -30.235 -9.273 -2.043 1.00 8.51 C ATOM 64 O ALA A 315 -31.043 -8.705 -2.773 1.00 8.20 O ATOM 65 CB ALA A 315 -29.723 -11.614 -2.766 1.00 10.04 C ATOM 0 H ALA A 315 -27.727 -11.128 -1.429 1.00 9.30 H new ATOM 0 HA ALA A 315 -28.916 -9.816 -3.614 1.00 9.10 H new ATOM 0 HB1 ALA A 315 -30.633 -11.594 -3.366 1.00 10.04 H new ATOM 0 HB2 ALA A 315 -28.981 -12.247 -3.253 1.00 10.04 H new ATOM 0 HB3 ALA A 315 -29.949 -12.015 -1.778 1.00 10.04 H new ATOM 71 N PHE A 316 -30.229 -9.116 -0.726 1.00 8.63 N ATOM 72 CA PHE A 316 -31.196 -8.248 -0.071 1.00 8.47 C ATOM 73 C PHE A 316 -30.723 -6.797 -0.092 1.00 7.73 C ATOM 74 O PHE A 316 -31.501 -5.876 0.155 1.00 7.72 O ATOM 75 CB PHE A 316 -31.450 -8.708 1.368 1.00 9.29 C ATOM 76 CG PHE A 316 -30.237 -8.670 2.260 1.00 10.04 C ATOM 77 CD1 PHE A 316 -29.333 -9.721 2.268 1.00 10.37 C ATOM 78 CD2 PHE A 316 -29.992 -7.576 3.076 1.00 10.61 C ATOM 79 CE1 PHE A 316 -28.212 -9.682 3.077 1.00 11.22 C ATOM 80 CE2 PHE A 316 -28.871 -7.531 3.884 1.00 11.44 C ATOM 81 CZ PHE A 316 -28.014 -8.614 3.931 1.00 11.73 C ATOM 0 H PHE A 316 -29.571 -9.574 -0.096 1.00 8.63 H new ATOM 0 HA PHE A 316 -32.134 -8.311 -0.623 1.00 8.47 H new ATOM 0 HB2 PHE A 316 -32.226 -8.080 1.805 1.00 9.29 H new ATOM 0 HB3 PHE A 316 -31.838 -9.726 1.347 1.00 9.29 H new ATOM 0 HD1 PHE A 316 -29.506 -10.579 1.636 1.00 10.37 H new ATOM 0 HD2 PHE A 316 -30.686 -6.748 3.080 1.00 10.61 H new ATOM 0 HE1 PHE A 316 -27.492 -10.486 3.041 1.00 11.22 H new ATOM 0 HE2 PHE A 316 -28.666 -6.652 4.477 1.00 11.44 H new ATOM 0 HZ PHE A 316 -27.193 -8.626 4.632 1.00 11.73 H new ATOM 91 N SER A 317 -29.444 -6.597 -0.375 1.00 7.38 N ATOM 92 CA SER A 317 -28.869 -5.262 -0.406 1.00 6.88 C ATOM 93 C SER A 317 -28.936 -4.670 -1.813 1.00 6.15 C ATOM 94 O SER A 317 -28.424 -5.256 -2.767 1.00 6.12 O ATOM 95 CB SER A 317 -27.423 -5.308 0.083 1.00 7.20 C ATOM 96 OG SER A 317 -27.352 -5.881 1.380 1.00 8.01 O ATOM 0 H SER A 317 -28.784 -7.345 -0.587 1.00 7.38 H new ATOM 0 HA SER A 317 -29.450 -4.620 0.257 1.00 6.88 H new ATOM 0 HB2 SER A 317 -26.817 -5.890 -0.611 1.00 7.20 H new ATOM 0 HB3 SER A 317 -27.007 -4.300 0.101 1.00 7.20 H new ATOM 0 HG SER A 317 -26.418 -5.904 1.677 1.00 8.01 H new ATOM 102 N ILE A 318 -29.567 -3.512 -1.934 1.00 5.89 N ATOM 103 CA ILE A 318 -29.652 -2.823 -3.217 1.00 5.46 C ATOM 104 C ILE A 318 -28.999 -1.447 -3.136 1.00 5.05 C ATOM 105 O ILE A 318 -28.679 -0.838 -4.156 1.00 5.20 O ATOM 106 CB ILE A 318 -31.116 -2.673 -3.696 1.00 5.77 C ATOM 107 CG1 ILE A 318 -31.967 -1.960 -2.638 1.00 6.39 C ATOM 108 CG2 ILE A 318 -31.708 -4.036 -4.032 1.00 5.87 C ATOM 109 CD1 ILE A 318 -33.395 -1.709 -3.072 1.00 6.93 C ATOM 0 H ILE A 318 -30.027 -3.029 -1.163 1.00 5.89 H new ATOM 0 HA ILE A 318 -29.117 -3.436 -3.942 1.00 5.46 H new ATOM 0 HB ILE A 318 -31.119 -2.062 -4.599 1.00 5.77 H new ATOM 0 HG12 ILE A 318 -31.974 -2.558 -1.727 1.00 6.39 H new ATOM 0 HG13 ILE A 318 -31.499 -1.007 -2.390 1.00 6.39 H new ATOM 0 HG21 ILE A 318 -32.738 -3.913 -4.367 1.00 5.87 H new ATOM 0 HG22 ILE A 318 -31.122 -4.502 -4.824 1.00 5.87 H new ATOM 0 HG23 ILE A 318 -31.688 -4.670 -3.145 1.00 5.87 H new ATOM 0 HD11 ILE A 318 -33.935 -1.202 -2.272 1.00 6.93 H new ATOM 0 HD12 ILE A 318 -33.399 -1.085 -3.965 1.00 6.93 H new ATOM 0 HD13 ILE A 318 -33.881 -2.660 -3.291 1.00 6.93 H new ATOM 121 N ASN A 319 -28.804 -0.963 -1.920 1.00 4.90 N ATOM 122 CA ASN A 319 -28.163 0.324 -1.705 1.00 4.82 C ATOM 123 C ASN A 319 -26.677 0.134 -1.411 1.00 4.38 C ATOM 124 O ASN A 319 -26.311 -0.488 -0.410 1.00 4.39 O ATOM 125 CB ASN A 319 -28.841 1.064 -0.549 1.00 5.38 C ATOM 126 CG ASN A 319 -28.253 2.440 -0.297 1.00 6.06 C ATOM 127 OD1 ASN A 319 -27.760 3.103 -1.211 1.00 6.44 O ATOM 128 ND2 ASN A 319 -28.316 2.887 0.949 1.00 6.59 N ATOM 0 H ASN A 319 -29.081 -1.444 -1.064 1.00 4.90 H new ATOM 0 HA ASN A 319 -28.265 0.921 -2.612 1.00 4.82 H new ATOM 0 HB2 ASN A 319 -29.905 1.164 -0.764 1.00 5.38 H new ATOM 0 HB3 ASN A 319 -28.754 0.466 0.358 1.00 5.38 H new ATOM 0 HD21 ASN A 319 -27.948 3.810 1.179 1.00 6.59 H new ATOM 0 HD22 ASN A 319 -28.732 2.308 1.678 1.00 6.59 H new ATOM 135 N PRO A 320 -25.801 0.642 -2.290 1.00 4.41 N ATOM 136 CA PRO A 320 -24.350 0.569 -2.100 1.00 4.37 C ATOM 137 C PRO A 320 -23.882 1.439 -0.938 1.00 4.34 C ATOM 138 O PRO A 320 -23.784 2.658 -1.063 1.00 4.65 O ATOM 139 CB PRO A 320 -23.772 1.093 -3.425 1.00 4.92 C ATOM 140 CG PRO A 320 -24.917 1.116 -4.380 1.00 5.28 C ATOM 141 CD PRO A 320 -26.147 1.317 -3.545 1.00 4.99 C ATOM 0 HA PRO A 320 -24.026 -0.443 -1.858 1.00 4.37 H new ATOM 0 HB2 PRO A 320 -23.345 2.088 -3.300 1.00 4.92 H new ATOM 0 HB3 PRO A 320 -22.972 0.447 -3.787 1.00 4.92 H new ATOM 0 HG2 PRO A 320 -24.803 1.920 -5.107 1.00 5.28 H new ATOM 0 HG3 PRO A 320 -24.975 0.184 -4.942 1.00 5.28 H new ATOM 0 HD2 PRO A 320 -26.362 2.374 -3.390 1.00 4.99 H new ATOM 0 HD3 PRO A 320 -27.029 0.877 -4.011 1.00 4.99 H new ATOM 149 N ALA A 321 -23.598 0.806 0.192 1.00 4.38 N ATOM 150 CA ALA A 321 -23.129 1.515 1.372 1.00 4.73 C ATOM 151 C ALA A 321 -22.122 0.658 2.118 1.00 4.87 C ATOM 152 O ALA A 321 -20.983 1.066 2.344 1.00 4.83 O ATOM 153 CB ALA A 321 -24.296 1.879 2.277 1.00 5.47 C ATOM 0 H ALA A 321 -23.685 -0.203 0.315 1.00 4.38 H new ATOM 0 HA ALA A 321 -22.644 2.440 1.059 1.00 4.73 H new ATOM 0 HB1 ALA A 321 -23.925 2.409 3.154 1.00 5.47 H new ATOM 0 HB2 ALA A 321 -24.992 2.519 1.734 1.00 5.47 H new ATOM 0 HB3 ALA A 321 -24.809 0.970 2.592 1.00 5.47 H new ATOM 159 N MET A 322 -22.546 -0.549 2.464 1.00 5.24 N ATOM 160 CA MET A 322 -21.685 -1.513 3.135 1.00 5.76 C ATOM 161 C MET A 322 -20.530 -1.917 2.230 1.00 5.34 C ATOM 162 O MET A 322 -19.404 -2.118 2.686 1.00 5.57 O ATOM 163 CB MET A 322 -22.496 -2.748 3.521 1.00 6.52 C ATOM 164 CG MET A 322 -23.438 -2.529 4.698 1.00 7.25 C ATOM 165 SD MET A 322 -24.463 -3.973 5.053 1.00 8.01 S ATOM 166 CE MET A 322 -25.447 -4.063 3.561 1.00 8.63 C ATOM 0 H MET A 322 -23.492 -0.887 2.289 1.00 5.24 H new ATOM 0 HA MET A 322 -21.278 -1.051 4.034 1.00 5.76 H new ATOM 0 HB2 MET A 322 -23.078 -3.071 2.658 1.00 6.52 H new ATOM 0 HB3 MET A 322 -21.810 -3.559 3.764 1.00 6.52 H new ATOM 0 HG2 MET A 322 -22.854 -2.278 5.583 1.00 7.25 H new ATOM 0 HG3 MET A 322 -24.082 -1.675 4.488 1.00 7.25 H new ATOM 0 HE1 MET A 322 -26.354 -4.635 3.757 1.00 8.63 H new ATOM 0 HE2 MET A 322 -25.715 -3.056 3.241 1.00 8.63 H new ATOM 0 HE3 MET A 322 -24.872 -4.553 2.775 1.00 8.63 H new ATOM 176 N MET A 323 -20.818 -2.022 0.942 1.00 4.92 N ATOM 177 CA MET A 323 -19.801 -2.373 -0.037 1.00 4.86 C ATOM 178 C MET A 323 -18.961 -1.152 -0.389 1.00 4.19 C ATOM 179 O MET A 323 -17.761 -1.259 -0.639 1.00 4.23 O ATOM 180 CB MET A 323 -20.441 -2.943 -1.304 1.00 5.17 C ATOM 181 CG MET A 323 -21.319 -4.162 -1.064 1.00 5.75 C ATOM 182 SD MET A 323 -20.439 -5.507 -0.246 1.00 6.61 S ATOM 183 CE MET A 323 -21.731 -6.748 -0.154 1.00 7.32 C ATOM 0 H MET A 323 -21.747 -1.869 0.550 1.00 4.92 H new ATOM 0 HA MET A 323 -19.157 -3.135 0.402 1.00 4.86 H new ATOM 0 HB2 MET A 323 -21.040 -2.165 -1.777 1.00 5.17 H new ATOM 0 HB3 MET A 323 -19.652 -3.210 -2.008 1.00 5.17 H new ATOM 0 HG2 MET A 323 -22.176 -3.873 -0.457 1.00 5.75 H new ATOM 0 HG3 MET A 323 -21.709 -4.516 -2.018 1.00 5.75 H new ATOM 0 HE1 MET A 323 -21.341 -7.644 0.329 1.00 7.32 H new ATOM 0 HE2 MET A 323 -22.569 -6.359 0.425 1.00 7.32 H new ATOM 0 HE3 MET A 323 -22.069 -6.996 -1.160 1.00 7.32 H new ATOM 193 N ALA A 324 -19.598 0.013 -0.379 1.00 3.85 N ATOM 194 CA ALA A 324 -18.938 1.253 -0.764 1.00 3.64 C ATOM 195 C ALA A 324 -17.872 1.647 0.255 1.00 3.69 C ATOM 196 O ALA A 324 -16.780 2.079 -0.114 1.00 3.64 O ATOM 197 CB ALA A 324 -19.970 2.363 -0.912 1.00 3.87 C ATOM 0 H ALA A 324 -20.575 0.124 -0.107 1.00 3.85 H new ATOM 0 HA ALA A 324 -18.442 1.097 -1.722 1.00 3.64 H new ATOM 0 HB1 ALA A 324 -19.471 3.288 -1.200 1.00 3.87 H new ATOM 0 HB2 ALA A 324 -20.694 2.087 -1.679 1.00 3.87 H new ATOM 0 HB3 ALA A 324 -20.486 2.509 0.037 1.00 3.87 H new ATOM 203 N ALA A 325 -18.189 1.465 1.536 1.00 4.10 N ATOM 204 CA ALA A 325 -17.262 1.793 2.618 1.00 4.50 C ATOM 205 C ALA A 325 -15.986 0.961 2.523 1.00 4.36 C ATOM 206 O ALA A 325 -14.887 1.459 2.779 1.00 4.39 O ATOM 207 CB ALA A 325 -17.936 1.588 3.969 1.00 5.40 C ATOM 0 H ALA A 325 -19.084 1.091 1.851 1.00 4.10 H new ATOM 0 HA ALA A 325 -16.983 2.842 2.520 1.00 4.50 H new ATOM 0 HB1 ALA A 325 -17.235 1.836 4.766 1.00 5.40 H new ATOM 0 HB2 ALA A 325 -18.811 2.234 4.041 1.00 5.40 H new ATOM 0 HB3 ALA A 325 -18.245 0.547 4.067 1.00 5.40 H new ATOM 213 N ALA A 326 -16.135 -0.299 2.138 1.00 4.45 N ATOM 214 CA ALA A 326 -14.997 -1.198 2.007 1.00 4.76 C ATOM 215 C ALA A 326 -14.096 -0.761 0.855 1.00 4.25 C ATOM 216 O ALA A 326 -12.881 -0.640 1.016 1.00 4.39 O ATOM 217 CB ALA A 326 -15.472 -2.630 1.797 1.00 5.39 C ATOM 0 H ALA A 326 -17.035 -0.722 1.911 1.00 4.45 H new ATOM 0 HA ALA A 326 -14.419 -1.156 2.930 1.00 4.76 H new ATOM 0 HB1 ALA A 326 -14.609 -3.289 1.701 1.00 5.39 H new ATOM 0 HB2 ALA A 326 -16.074 -2.942 2.650 1.00 5.39 H new ATOM 0 HB3 ALA A 326 -16.073 -2.685 0.889 1.00 5.39 H new ATOM 223 N GLN A 327 -14.704 -0.494 -0.297 1.00 3.89 N ATOM 224 CA GLN A 327 -13.955 -0.126 -1.495 1.00 3.88 C ATOM 225 C GLN A 327 -13.270 1.228 -1.342 1.00 3.54 C ATOM 226 O GLN A 327 -12.128 1.399 -1.766 1.00 3.70 O ATOM 227 CB GLN A 327 -14.874 -0.116 -2.716 1.00 4.13 C ATOM 228 CG GLN A 327 -15.449 -1.483 -3.043 1.00 4.57 C ATOM 229 CD GLN A 327 -16.376 -1.464 -4.242 1.00 5.04 C ATOM 230 OE1 GLN A 327 -16.111 -0.574 -5.187 1.00 5.37 O flip ATOM 231 NE2 GLN A 327 -17.318 -2.252 -4.325 1.00 5.52 N flip ATOM 0 H GLN A 327 -15.715 -0.526 -0.427 1.00 3.89 H new ATOM 0 HA GLN A 327 -13.178 -0.877 -1.637 1.00 3.88 H new ATOM 0 HB2 GLN A 327 -15.692 0.583 -2.541 1.00 4.13 H new ATOM 0 HB3 GLN A 327 -14.318 0.253 -3.578 1.00 4.13 H new ATOM 0 HG2 GLN A 327 -14.632 -2.179 -3.233 1.00 4.57 H new ATOM 0 HG3 GLN A 327 -15.993 -1.859 -2.176 1.00 4.57 H new ATOM 0 HE21 GLN A 327 -17.489 -2.923 -3.576 1.00 5.52 H new ATOM 0 HE22 GLN A 327 -17.927 -2.234 -5.143 1.00 5.52 H new ATOM 240 N ALA A 328 -13.961 2.180 -0.730 1.00 3.40 N ATOM 241 CA ALA A 328 -13.416 3.521 -0.548 1.00 3.60 C ATOM 242 C ALA A 328 -12.173 3.494 0.336 1.00 3.61 C ATOM 243 O ALA A 328 -11.130 4.050 -0.022 1.00 3.68 O ATOM 244 CB ALA A 328 -14.469 4.446 0.042 1.00 4.16 C ATOM 0 H ALA A 328 -14.899 2.050 -0.351 1.00 3.40 H new ATOM 0 HA ALA A 328 -13.124 3.903 -1.526 1.00 3.60 H new ATOM 0 HB1 ALA A 328 -14.047 5.442 0.172 1.00 4.16 H new ATOM 0 HB2 ALA A 328 -15.325 4.499 -0.631 1.00 4.16 H new ATOM 0 HB3 ALA A 328 -14.792 4.060 1.009 1.00 4.16 H new ATOM 250 N ALA A 329 -12.278 2.816 1.475 1.00 3.87 N ATOM 251 CA ALA A 329 -11.165 2.715 2.410 1.00 4.31 C ATOM 252 C ALA A 329 -10.012 1.927 1.804 1.00 4.02 C ATOM 253 O ALA A 329 -8.843 2.220 2.064 1.00 4.18 O ATOM 254 CB ALA A 329 -11.627 2.067 3.707 1.00 5.14 C ATOM 0 H ALA A 329 -13.123 2.329 1.772 1.00 3.87 H new ATOM 0 HA ALA A 329 -10.808 3.722 2.626 1.00 4.31 H new ATOM 0 HB1 ALA A 329 -10.787 1.997 4.398 1.00 5.14 H new ATOM 0 HB2 ALA A 329 -12.416 2.671 4.155 1.00 5.14 H new ATOM 0 HB3 ALA A 329 -12.010 1.068 3.498 1.00 5.14 H new ATOM 260 N LEU A 330 -10.351 0.932 0.990 1.00 3.86 N ATOM 261 CA LEU A 330 -9.355 0.092 0.342 1.00 4.05 C ATOM 262 C LEU A 330 -8.435 0.948 -0.523 1.00 3.61 C ATOM 263 O LEU A 330 -7.220 0.928 -0.351 1.00 3.83 O ATOM 264 CB LEU A 330 -10.055 -0.982 -0.510 1.00 4.52 C ATOM 265 CG LEU A 330 -9.237 -2.243 -0.841 1.00 5.18 C ATOM 266 CD1 LEU A 330 -8.068 -1.930 -1.764 1.00 5.96 C ATOM 267 CD2 LEU A 330 -8.750 -2.911 0.435 1.00 5.66 C ATOM 0 H LEU A 330 -11.315 0.688 0.764 1.00 3.86 H new ATOM 0 HA LEU A 330 -8.751 -0.404 1.102 1.00 4.05 H new ATOM 0 HB2 LEU A 330 -10.962 -1.291 0.010 1.00 4.52 H new ATOM 0 HB3 LEU A 330 -10.367 -0.523 -1.448 1.00 4.52 H new ATOM 0 HG LEU A 330 -9.894 -2.934 -1.369 1.00 5.18 H new ATOM 0 HD11 LEU A 330 -7.515 -2.846 -1.974 1.00 5.96 H new ATOM 0 HD12 LEU A 330 -8.444 -1.510 -2.697 1.00 5.96 H new ATOM 0 HD13 LEU A 330 -7.407 -1.209 -1.282 1.00 5.96 H new ATOM 0 HD21 LEU A 330 -8.173 -3.801 0.183 1.00 5.66 H new ATOM 0 HD22 LEU A 330 -8.121 -2.217 0.992 1.00 5.66 H new ATOM 0 HD23 LEU A 330 -9.606 -3.195 1.047 1.00 5.66 H new ATOM 279 N GLN A 331 -9.035 1.738 -1.411 1.00 3.29 N ATOM 280 CA GLN A 331 -8.282 2.543 -2.375 1.00 3.38 C ATOM 281 C GLN A 331 -7.426 3.599 -1.683 1.00 3.36 C ATOM 282 O GLN A 331 -6.334 3.925 -2.144 1.00 3.53 O ATOM 283 CB GLN A 331 -9.240 3.232 -3.347 1.00 3.75 C ATOM 284 CG GLN A 331 -10.141 2.275 -4.108 1.00 4.36 C ATOM 285 CD GLN A 331 -11.181 2.997 -4.943 1.00 4.72 C ATOM 286 OE1 GLN A 331 -11.580 4.177 -4.496 1.00 5.26 O flip ATOM 287 NE2 GLN A 331 -11.623 2.497 -5.977 1.00 4.88 N flip ATOM 0 H GLN A 331 -10.047 1.839 -1.484 1.00 3.29 H new ATOM 0 HA GLN A 331 -7.621 1.867 -2.918 1.00 3.38 H new ATOM 0 HB2 GLN A 331 -9.861 3.936 -2.792 1.00 3.75 H new ATOM 0 HB3 GLN A 331 -8.659 3.814 -4.062 1.00 3.75 H new ATOM 0 HG2 GLN A 331 -9.532 1.646 -4.757 1.00 4.36 H new ATOM 0 HG3 GLN A 331 -10.642 1.613 -3.401 1.00 4.36 H new ATOM 0 HE21 GLN A 331 -11.288 1.585 -6.286 1.00 4.88 H new ATOM 0 HE22 GLN A 331 -12.324 2.995 -6.525 1.00 4.88 H new ATOM 296 N SER A 332 -7.927 4.130 -0.579 1.00 3.52 N ATOM 297 CA SER A 332 -7.247 5.209 0.117 1.00 4.01 C ATOM 298 C SER A 332 -6.043 4.684 0.900 1.00 4.13 C ATOM 299 O SER A 332 -5.058 5.396 1.106 1.00 4.40 O ATOM 300 CB SER A 332 -8.226 5.915 1.058 1.00 4.82 C ATOM 301 OG SER A 332 -7.689 7.133 1.552 1.00 5.25 O ATOM 0 H SER A 332 -8.801 3.831 -0.147 1.00 3.52 H new ATOM 0 HA SER A 332 -6.881 5.922 -0.622 1.00 4.01 H new ATOM 0 HB2 SER A 332 -9.159 6.115 0.530 1.00 4.82 H new ATOM 0 HB3 SER A 332 -8.467 5.258 1.893 1.00 4.82 H new ATOM 0 HG SER A 332 -8.339 7.559 2.148 1.00 5.25 H new ATOM 307 N SER A 333 -6.122 3.433 1.328 1.00 4.24 N ATOM 308 CA SER A 333 -5.087 2.847 2.143 1.00 4.87 C ATOM 309 C SER A 333 -4.096 2.046 1.298 1.00 4.69 C ATOM 310 O SER A 333 -2.882 2.151 1.487 1.00 5.07 O ATOM 311 CB SER A 333 -5.718 1.964 3.226 1.00 5.50 C ATOM 312 OG SER A 333 -4.753 1.533 4.175 1.00 6.18 O ATOM 0 H SER A 333 -6.900 2.807 1.119 1.00 4.24 H new ATOM 0 HA SER A 333 -4.528 3.652 2.621 1.00 4.87 H new ATOM 0 HB2 SER A 333 -6.507 2.518 3.734 1.00 5.50 H new ATOM 0 HB3 SER A 333 -6.186 1.096 2.762 1.00 5.50 H new ATOM 0 HG SER A 333 -4.559 0.583 4.035 1.00 6.18 H new ATOM 318 N TRP A 334 -4.611 1.250 0.367 1.00 4.36 N ATOM 319 CA TRP A 334 -3.775 0.357 -0.425 1.00 4.61 C ATOM 320 C TRP A 334 -4.035 0.545 -1.914 1.00 4.24 C ATOM 321 O TRP A 334 -5.162 0.799 -2.332 1.00 3.98 O ATOM 322 CB TRP A 334 -4.042 -1.105 -0.046 1.00 5.51 C ATOM 323 CG TRP A 334 -3.830 -1.406 1.406 1.00 6.03 C ATOM 324 CD1 TRP A 334 -2.635 -1.598 2.035 1.00 6.54 C ATOM 325 CD2 TRP A 334 -4.842 -1.566 2.405 1.00 6.46 C ATOM 326 NE1 TRP A 334 -2.842 -1.861 3.366 1.00 7.16 N ATOM 327 CE2 TRP A 334 -4.189 -1.848 3.616 1.00 7.11 C ATOM 328 CE3 TRP A 334 -6.239 -1.498 2.393 1.00 6.66 C ATOM 329 CZ2 TRP A 334 -4.881 -2.058 4.804 1.00 7.83 C ATOM 330 CZ3 TRP A 334 -6.925 -1.707 3.573 1.00 7.45 C ATOM 331 CH2 TRP A 334 -6.246 -1.986 4.764 1.00 7.97 C ATOM 0 H TRP A 334 -5.605 1.206 0.143 1.00 4.36 H new ATOM 0 HA TRP A 334 -2.734 0.603 -0.213 1.00 4.61 H new ATOM 0 HB2 TRP A 334 -5.068 -1.357 -0.313 1.00 5.51 H new ATOM 0 HB3 TRP A 334 -3.391 -1.748 -0.639 1.00 5.51 H new ATOM 0 HD1 TRP A 334 -1.668 -1.550 1.556 1.00 6.54 H new ATOM 0 HE1 TRP A 334 -2.112 -2.037 4.056 1.00 7.16 H new ATOM 0 HE3 TRP A 334 -6.771 -1.286 1.478 1.00 6.66 H new ATOM 0 HZ2 TRP A 334 -4.359 -2.270 5.725 1.00 7.83 H new ATOM 0 HZ3 TRP A 334 -8.004 -1.654 3.577 1.00 7.45 H new ATOM 0 HH2 TRP A 334 -6.811 -2.148 5.670 1.00 7.97 H new ATOM 342 N GLY A 335 -2.987 0.411 -2.706 1.00 4.55 N ATOM 343 CA GLY A 335 -3.134 0.495 -4.144 1.00 4.68 C ATOM 344 C GLY A 335 -3.216 1.919 -4.640 1.00 4.16 C ATOM 345 O GLY A 335 -3.909 2.203 -5.619 1.00 4.48 O ATOM 0 H GLY A 335 -2.035 0.245 -2.381 1.00 4.55 H new ATOM 0 HA2 GLY A 335 -2.290 -0.003 -4.621 1.00 4.68 H new ATOM 0 HA3 GLY A 335 -4.033 -0.042 -4.445 1.00 4.68 H new ATOM 349 N MET A 336 -2.499 2.811 -3.973 1.00 3.70 N ATOM 350 CA MET A 336 -2.497 4.219 -4.339 1.00 3.47 C ATOM 351 C MET A 336 -1.766 4.424 -5.658 1.00 3.74 C ATOM 352 O MET A 336 -0.730 3.800 -5.915 1.00 4.01 O ATOM 353 CB MET A 336 -1.840 5.059 -3.241 1.00 3.41 C ATOM 354 CG MET A 336 -2.537 4.957 -1.894 1.00 3.73 C ATOM 355 SD MET A 336 -1.838 6.075 -0.660 1.00 4.20 S ATOM 356 CE MET A 336 -2.261 7.665 -1.370 1.00 5.08 C ATOM 0 H MET A 336 -1.909 2.583 -3.173 1.00 3.70 H new ATOM 0 HA MET A 336 -3.531 4.543 -4.455 1.00 3.47 H new ATOM 0 HB2 MET A 336 -0.802 4.745 -3.128 1.00 3.41 H new ATOM 0 HB3 MET A 336 -1.825 6.103 -3.554 1.00 3.41 H new ATOM 0 HG2 MET A 336 -3.597 5.179 -2.020 1.00 3.73 H new ATOM 0 HG3 MET A 336 -2.467 3.932 -1.530 1.00 3.73 H new ATOM 0 HE1 MET A 336 -2.280 8.421 -0.585 1.00 5.08 H new ATOM 0 HE2 MET A 336 -1.518 7.938 -2.119 1.00 5.08 H new ATOM 0 HE3 MET A 336 -3.243 7.604 -1.839 1.00 5.08 H new ATOM 366 N MET A 337 -2.316 5.290 -6.492 1.00 4.13 N ATOM 367 CA MET A 337 -1.760 5.548 -7.810 1.00 4.69 C ATOM 368 C MET A 337 -0.418 6.267 -7.711 1.00 4.24 C ATOM 369 O MET A 337 -0.269 7.249 -6.979 1.00 3.85 O ATOM 370 CB MET A 337 -2.744 6.359 -8.648 1.00 5.56 C ATOM 371 CG MET A 337 -4.029 5.605 -8.952 1.00 6.32 C ATOM 372 SD MET A 337 -3.726 4.049 -9.816 1.00 7.23 S ATOM 373 CE MET A 337 -5.386 3.381 -9.902 1.00 8.06 C ATOM 0 H MET A 337 -3.154 5.830 -6.277 1.00 4.13 H new ATOM 0 HA MET A 337 -1.588 4.590 -8.300 1.00 4.69 H new ATOM 0 HB2 MET A 337 -2.987 7.282 -8.121 1.00 5.56 H new ATOM 0 HB3 MET A 337 -2.266 6.644 -9.585 1.00 5.56 H new ATOM 0 HG2 MET A 337 -4.558 5.403 -8.020 1.00 6.32 H new ATOM 0 HG3 MET A 337 -4.681 6.233 -9.559 1.00 6.32 H new ATOM 0 HE1 MET A 337 -5.364 2.417 -10.411 1.00 8.06 H new ATOM 0 HE2 MET A 337 -5.778 3.250 -8.893 1.00 8.06 H new ATOM 0 HE3 MET A 337 -6.027 4.068 -10.454 1.00 8.06 H new ATOM 383 N GLY A 338 0.542 5.764 -8.481 1.00 4.64 N ATOM 384 CA GLY A 338 1.921 6.194 -8.379 1.00 4.49 C ATOM 385 C GLY A 338 2.132 7.627 -8.803 1.00 4.59 C ATOM 386 O GLY A 338 2.968 8.325 -8.234 1.00 4.39 O ATOM 0 H GLY A 338 0.380 5.049 -9.190 1.00 4.64 H new ATOM 0 HA2 GLY A 338 2.257 6.074 -7.349 1.00 4.49 H new ATOM 0 HA3 GLY A 338 2.543 5.545 -8.995 1.00 4.49 H new ATOM 390 N MET A 339 1.398 8.063 -9.819 1.00 5.28 N ATOM 391 CA MET A 339 1.584 9.401 -10.360 1.00 5.81 C ATOM 392 C MET A 339 1.143 10.466 -9.353 1.00 5.61 C ATOM 393 O MET A 339 1.778 11.514 -9.225 1.00 6.06 O ATOM 394 CB MET A 339 0.830 9.562 -11.678 1.00 6.87 C ATOM 395 CG MET A 339 1.203 10.822 -12.443 1.00 7.56 C ATOM 396 SD MET A 339 2.947 10.851 -12.904 1.00 8.38 S ATOM 397 CE MET A 339 3.047 12.418 -13.769 1.00 9.13 C ATOM 0 H MET A 339 0.674 7.513 -10.281 1.00 5.28 H new ATOM 0 HA MET A 339 2.648 9.539 -10.555 1.00 5.81 H new ATOM 0 HB2 MET A 339 1.026 8.694 -12.307 1.00 6.87 H new ATOM 0 HB3 MET A 339 -0.241 9.574 -11.475 1.00 6.87 H new ATOM 0 HG2 MET A 339 0.591 10.894 -13.342 1.00 7.56 H new ATOM 0 HG3 MET A 339 0.976 11.696 -11.832 1.00 7.56 H new ATOM 0 HE1 MET A 339 4.068 12.578 -14.115 1.00 9.13 H new ATOM 0 HE2 MET A 339 2.371 12.405 -14.624 1.00 9.13 H new ATOM 0 HE3 MET A 339 2.762 13.225 -13.094 1.00 9.13 H new ATOM 407 N LEU A 340 0.057 10.190 -8.638 1.00 5.18 N ATOM 408 CA LEU A 340 -0.420 11.090 -7.591 1.00 5.41 C ATOM 409 C LEU A 340 0.407 10.933 -6.321 1.00 5.02 C ATOM 410 O LEU A 340 0.357 11.779 -5.426 1.00 5.64 O ATOM 411 CB LEU A 340 -1.892 10.835 -7.277 1.00 5.55 C ATOM 412 CG LEU A 340 -2.860 11.059 -8.440 1.00 6.05 C ATOM 413 CD1 LEU A 340 -4.281 10.722 -8.017 1.00 6.16 C ATOM 414 CD2 LEU A 340 -2.777 12.495 -8.939 1.00 7.07 C ATOM 0 H LEU A 340 -0.510 9.351 -8.763 1.00 5.18 H new ATOM 0 HA LEU A 340 -0.311 12.109 -7.962 1.00 5.41 H new ATOM 0 HB2 LEU A 340 -1.999 9.807 -6.930 1.00 5.55 H new ATOM 0 HB3 LEU A 340 -2.187 11.482 -6.451 1.00 5.55 H new ATOM 0 HG LEU A 340 -2.575 10.397 -9.258 1.00 6.05 H new ATOM 0 HD11 LEU A 340 -4.959 10.886 -8.855 1.00 6.16 H new ATOM 0 HD12 LEU A 340 -4.331 9.678 -7.709 1.00 6.16 H new ATOM 0 HD13 LEU A 340 -4.574 11.360 -7.183 1.00 6.16 H new ATOM 0 HD21 LEU A 340 -3.473 12.634 -9.766 1.00 7.07 H new ATOM 0 HD22 LEU A 340 -3.035 13.177 -8.129 1.00 7.07 H new ATOM 0 HD23 LEU A 340 -1.763 12.704 -9.280 1.00 7.07 H new ATOM 426 N ALA A 341 1.167 9.848 -6.243 1.00 4.36 N ATOM 427 CA ALA A 341 2.025 9.601 -5.096 1.00 4.43 C ATOM 428 C ALA A 341 3.308 10.413 -5.209 1.00 4.77 C ATOM 429 O ALA A 341 4.372 9.887 -5.543 1.00 5.40 O ATOM 430 CB ALA A 341 2.333 8.115 -4.970 1.00 4.13 C ATOM 0 H ALA A 341 1.205 9.126 -6.962 1.00 4.36 H new ATOM 0 HA ALA A 341 1.500 9.916 -4.194 1.00 4.43 H new ATOM 0 HB1 ALA A 341 2.976 7.949 -4.106 1.00 4.13 H new ATOM 0 HB2 ALA A 341 1.403 7.560 -4.842 1.00 4.13 H new ATOM 0 HB3 ALA A 341 2.840 7.771 -5.871 1.00 4.13 H new ATOM 436 N SER A 342 3.196 11.704 -4.944 1.00 4.71 N ATOM 437 CA SER A 342 4.337 12.603 -5.001 1.00 5.21 C ATOM 438 C SER A 342 5.035 12.677 -3.644 1.00 4.78 C ATOM 439 O SER A 342 6.024 13.393 -3.481 1.00 4.60 O ATOM 440 CB SER A 342 3.870 13.991 -5.437 1.00 5.76 C ATOM 441 OG SER A 342 2.777 14.430 -4.641 1.00 6.25 O ATOM 0 H SER A 342 2.319 12.156 -4.685 1.00 4.71 H new ATOM 0 HA SER A 342 5.054 12.220 -5.727 1.00 5.21 H new ATOM 0 HB2 SER A 342 4.694 14.700 -5.353 1.00 5.76 H new ATOM 0 HB3 SER A 342 3.575 13.967 -6.486 1.00 5.76 H new ATOM 0 HG SER A 342 2.495 15.321 -4.936 1.00 6.25 H new ATOM 447 N ARG A 343 4.505 11.934 -2.676 1.00 4.96 N ATOM 448 CA ARG A 343 5.071 11.902 -1.335 1.00 4.86 C ATOM 449 C ARG A 343 6.375 11.116 -1.323 1.00 4.76 C ATOM 450 O ARG A 343 6.379 9.884 -1.367 1.00 5.40 O ATOM 451 CB ARG A 343 4.077 11.294 -0.341 1.00 5.67 C ATOM 452 CG ARG A 343 4.648 11.136 1.061 1.00 6.12 C ATOM 453 CD ARG A 343 5.067 12.470 1.659 1.00 6.82 C ATOM 454 NE ARG A 343 3.923 13.331 1.942 1.00 7.18 N ATOM 455 CZ ARG A 343 3.940 14.653 1.821 1.00 7.92 C ATOM 456 NH1 ARG A 343 5.002 15.265 1.316 1.00 8.35 N ATOM 457 NH2 ARG A 343 2.876 15.362 2.172 1.00 8.49 N ATOM 0 H ARG A 343 3.681 11.345 -2.798 1.00 4.96 H new ATOM 0 HA ARG A 343 5.280 12.928 -1.031 1.00 4.86 H new ATOM 0 HB2 ARG A 343 3.189 11.924 -0.295 1.00 5.67 H new ATOM 0 HB3 ARG A 343 3.758 10.319 -0.708 1.00 5.67 H new ATOM 0 HG2 ARG A 343 3.904 10.668 1.705 1.00 6.12 H new ATOM 0 HG3 ARG A 343 5.508 10.467 1.029 1.00 6.12 H new ATOM 0 HD2 ARG A 343 5.624 12.295 2.579 1.00 6.82 H new ATOM 0 HD3 ARG A 343 5.741 12.979 0.970 1.00 6.82 H new ATOM 0 HE ARG A 343 3.057 12.890 2.252 1.00 7.18 H new ATOM 0 HH11 ARG A 343 5.811 14.720 1.018 1.00 8.35 H new ATOM 0 HH12 ARG A 343 5.010 16.281 1.225 1.00 8.35 H new ATOM 0 HH21 ARG A 343 2.047 14.892 2.534 1.00 8.49 H new ATOM 0 HH22 ARG A 343 2.887 16.378 2.080 1.00 8.49 H new ATOM 471 N GLN A 344 7.475 11.841 -1.274 1.00 4.30 N ATOM 472 CA GLN A 344 8.791 11.234 -1.201 1.00 4.47 C ATOM 473 C GLN A 344 9.381 11.472 0.178 1.00 4.38 C ATOM 474 O GLN A 344 9.173 12.532 0.769 1.00 4.22 O ATOM 475 CB GLN A 344 9.702 11.816 -2.283 1.00 4.62 C ATOM 476 CG GLN A 344 9.173 11.600 -3.692 1.00 5.14 C ATOM 477 CD GLN A 344 10.065 12.196 -4.764 1.00 5.62 C ATOM 478 OE1 GLN A 344 10.745 13.200 -4.542 1.00 6.10 O ATOM 479 NE2 GLN A 344 10.067 11.584 -5.937 1.00 5.93 N ATOM 0 H GLN A 344 7.483 12.861 -1.284 1.00 4.30 H new ATOM 0 HA GLN A 344 8.704 10.161 -1.370 1.00 4.47 H new ATOM 0 HB2 GLN A 344 9.826 12.885 -2.108 1.00 4.62 H new ATOM 0 HB3 GLN A 344 10.690 11.363 -2.199 1.00 4.62 H new ATOM 0 HG2 GLN A 344 9.065 10.530 -3.872 1.00 5.14 H new ATOM 0 HG3 GLN A 344 8.178 12.039 -3.771 1.00 5.14 H new ATOM 0 HE21 GLN A 344 9.490 10.755 -6.081 1.00 5.93 H new ATOM 0 HE22 GLN A 344 10.646 11.941 -6.697 1.00 5.93 H new ATOM 488 N ASN A 345 10.100 10.488 0.693 1.00 4.85 N ATOM 489 CA ASN A 345 10.677 10.588 2.023 1.00 4.99 C ATOM 490 C ASN A 345 11.916 11.478 2.003 1.00 4.91 C ATOM 491 O ASN A 345 12.814 11.295 1.183 1.00 5.29 O ATOM 492 CB ASN A 345 11.017 9.197 2.590 1.00 5.88 C ATOM 493 CG ASN A 345 12.038 8.424 1.769 1.00 6.35 C ATOM 494 OD1 ASN A 345 12.103 8.544 0.543 1.00 6.50 O ATOM 495 ND2 ASN A 345 12.838 7.610 2.441 1.00 6.96 N ATOM 0 H ASN A 345 10.298 9.611 0.210 1.00 4.85 H new ATOM 0 HA ASN A 345 9.934 11.042 2.678 1.00 4.99 H new ATOM 0 HB2 ASN A 345 11.396 9.313 3.605 1.00 5.88 H new ATOM 0 HB3 ASN A 345 10.101 8.610 2.657 1.00 5.88 H new ATOM 0 HD21 ASN A 345 13.536 7.057 1.945 1.00 6.96 H new ATOM 0 HD22 ASN A 345 12.756 7.536 3.455 1.00 6.96 H new ATOM 502 N GLN A 346 11.946 12.461 2.892 1.00 4.79 N ATOM 503 CA GLN A 346 13.076 13.379 2.986 1.00 5.00 C ATOM 504 C GLN A 346 13.536 13.510 4.433 1.00 5.26 C ATOM 505 O GLN A 346 12.719 13.699 5.339 1.00 5.28 O ATOM 506 CB GLN A 346 12.693 14.758 2.436 1.00 5.09 C ATOM 507 CG GLN A 346 12.501 14.792 0.925 1.00 5.54 C ATOM 508 CD GLN A 346 13.803 14.613 0.161 1.00 5.92 C ATOM 509 OE1 GLN A 346 14.499 15.581 -0.139 1.00 6.41 O ATOM 510 NE2 GLN A 346 14.141 13.375 -0.154 1.00 6.10 N ATOM 0 H GLN A 346 11.199 12.645 3.561 1.00 4.79 H new ATOM 0 HA GLN A 346 13.894 12.976 2.390 1.00 5.00 H new ATOM 0 HB2 GLN A 346 11.771 15.086 2.916 1.00 5.09 H new ATOM 0 HB3 GLN A 346 13.467 15.475 2.710 1.00 5.09 H new ATOM 0 HG2 GLN A 346 11.804 14.006 0.634 1.00 5.54 H new ATOM 0 HG3 GLN A 346 12.047 15.742 0.642 1.00 5.54 H new ATOM 0 HE21 GLN A 346 13.537 12.598 0.113 1.00 6.10 H new ATOM 0 HE22 GLN A 346 15.006 13.197 -0.664 1.00 6.10 H new ATOM 519 N SER A 347 14.837 13.411 4.647 1.00 5.76 N ATOM 520 CA SER A 347 15.406 13.533 5.979 1.00 6.15 C ATOM 521 C SER A 347 15.592 15.002 6.350 1.00 5.87 C ATOM 522 O SER A 347 16.059 15.805 5.539 1.00 6.25 O ATOM 523 CB SER A 347 16.748 12.798 6.048 1.00 6.93 C ATOM 524 OG SER A 347 17.275 12.817 7.366 1.00 7.46 O ATOM 0 H SER A 347 15.523 13.245 3.911 1.00 5.76 H new ATOM 0 HA SER A 347 14.717 13.080 6.692 1.00 6.15 H new ATOM 0 HB2 SER A 347 16.618 11.767 5.720 1.00 6.93 H new ATOM 0 HB3 SER A 347 17.457 13.264 5.363 1.00 6.93 H new ATOM 0 HG SER A 347 18.131 12.340 7.383 1.00 7.46 H new ATOM 530 N GLY A 348 15.223 15.343 7.572 1.00 5.53 N ATOM 531 CA GLY A 348 15.366 16.703 8.042 1.00 5.54 C ATOM 532 C GLY A 348 14.962 16.834 9.493 1.00 5.59 C ATOM 533 O GLY A 348 15.711 16.435 10.383 1.00 5.68 O ATOM 0 H GLY A 348 14.824 14.697 8.253 1.00 5.53 H new ATOM 0 HA2 GLY A 348 16.401 17.024 7.921 1.00 5.54 H new ATOM 0 HA3 GLY A 348 14.753 17.366 7.431 1.00 5.54 H new ATOM 537 N PRO A 349 13.770 17.376 9.764 1.00 5.91 N ATOM 538 CA PRO A 349 13.223 17.451 11.118 1.00 6.29 C ATOM 539 C PRO A 349 12.547 16.141 11.517 1.00 6.35 C ATOM 540 O PRO A 349 11.416 16.126 12.006 1.00 6.32 O ATOM 541 CB PRO A 349 12.201 18.581 11.006 1.00 6.89 C ATOM 542 CG PRO A 349 11.712 18.507 9.600 1.00 6.91 C ATOM 543 CD PRO A 349 12.856 17.975 8.771 1.00 6.34 C ATOM 0 HA PRO A 349 13.984 17.626 11.879 1.00 6.29 H new ATOM 0 HB2 PRO A 349 11.385 18.450 11.717 1.00 6.89 H new ATOM 0 HB3 PRO A 349 12.655 19.549 11.217 1.00 6.89 H new ATOM 0 HG2 PRO A 349 10.843 17.853 9.526 1.00 6.91 H new ATOM 0 HG3 PRO A 349 11.402 19.490 9.246 1.00 6.91 H new ATOM 0 HD2 PRO A 349 12.514 17.236 8.047 1.00 6.34 H new ATOM 0 HD3 PRO A 349 13.344 18.770 8.208 1.00 6.34 H new ATOM 551 N SER A 350 13.250 15.044 11.280 1.00 6.79 N ATOM 552 CA SER A 350 12.710 13.717 11.511 1.00 7.31 C ATOM 553 C SER A 350 12.839 13.321 12.981 1.00 7.44 C ATOM 554 O SER A 350 11.897 12.800 13.581 1.00 7.86 O ATOM 555 CB SER A 350 13.453 12.718 10.625 1.00 8.11 C ATOM 556 OG SER A 350 13.569 13.216 9.298 1.00 8.24 O ATOM 0 H SER A 350 14.206 15.050 10.924 1.00 6.79 H new ATOM 0 HA SER A 350 11.649 13.715 11.260 1.00 7.31 H new ATOM 0 HB2 SER A 350 14.444 12.527 11.035 1.00 8.11 H new ATOM 0 HB3 SER A 350 12.922 11.766 10.617 1.00 8.11 H new ATOM 0 HG SER A 350 14.381 12.856 8.883 1.00 8.24 H new ATOM 562 N GLY A 351 14.019 13.558 13.546 1.00 7.35 N ATOM 563 CA GLY A 351 14.250 13.273 14.948 1.00 7.72 C ATOM 564 C GLY A 351 13.416 14.157 15.850 1.00 7.36 C ATOM 565 O GLY A 351 12.694 13.672 16.723 1.00 7.91 O ATOM 0 H GLY A 351 14.823 13.945 13.053 1.00 7.35 H new ATOM 0 HA2 GLY A 351 14.017 12.227 15.149 1.00 7.72 H new ATOM 0 HA3 GLY A 351 15.306 13.414 15.178 1.00 7.72 H new ATOM 569 N ASN A 352 13.512 15.458 15.631 1.00 6.68 N ATOM 570 CA ASN A 352 12.761 16.424 16.416 1.00 6.65 C ATOM 571 C ASN A 352 11.503 16.842 15.665 1.00 6.74 C ATOM 572 O ASN A 352 11.559 17.661 14.745 1.00 7.00 O ATOM 573 CB ASN A 352 13.623 17.656 16.723 1.00 6.99 C ATOM 574 CG ASN A 352 14.791 17.344 17.644 1.00 7.28 C ATOM 575 OD1 ASN A 352 15.873 16.968 17.194 1.00 7.60 O ATOM 576 ND2 ASN A 352 14.581 17.506 18.942 1.00 7.53 N ATOM 0 H ASN A 352 14.106 15.871 14.912 1.00 6.68 H new ATOM 0 HA ASN A 352 12.475 15.957 17.359 1.00 6.65 H new ATOM 0 HB2 ASN A 352 14.003 18.069 15.789 1.00 6.99 H new ATOM 0 HB3 ASN A 352 13.000 18.424 17.181 1.00 6.99 H new ATOM 0 HD21 ASN A 352 15.331 17.317 19.607 1.00 7.53 H new ATOM 0 HD22 ASN A 352 13.670 17.819 19.276 1.00 7.53 H new ATOM 583 N ASN A 353 10.372 16.269 16.070 1.00 6.86 N ATOM 584 CA ASN A 353 9.090 16.522 15.413 1.00 7.25 C ATOM 585 C ASN A 353 8.656 17.970 15.591 1.00 7.06 C ATOM 586 O ASN A 353 8.426 18.679 14.614 1.00 7.25 O ATOM 587 CB ASN A 353 7.995 15.590 15.952 1.00 8.01 C ATOM 588 CG ASN A 353 8.174 14.146 15.518 1.00 8.61 C ATOM 589 OD1 ASN A 353 7.736 13.755 14.438 1.00 8.84 O ATOM 590 ND2 ASN A 353 8.786 13.332 16.369 1.00 9.15 N ATOM 0 H ASN A 353 10.317 15.621 16.856 1.00 6.86 H new ATOM 0 HA ASN A 353 9.231 16.323 14.351 1.00 7.25 H new ATOM 0 HB2 ASN A 353 7.989 15.638 17.041 1.00 8.01 H new ATOM 0 HB3 ASN A 353 7.023 15.947 15.612 1.00 8.01 H new ATOM 0 HD21 ASN A 353 8.906 12.346 16.135 1.00 9.15 H new ATOM 0 HD22 ASN A 353 9.137 13.692 17.257 1.00 9.15 H new ATOM 597 N GLN A 354 8.547 18.411 16.836 1.00 6.98 N ATOM 598 CA GLN A 354 8.127 19.778 17.119 1.00 7.10 C ATOM 599 C GLN A 354 9.278 20.619 17.654 1.00 7.21 C ATOM 600 O GLN A 354 9.198 21.187 18.746 1.00 7.45 O ATOM 601 CB GLN A 354 6.946 19.806 18.092 1.00 7.49 C ATOM 602 CG GLN A 354 5.619 19.462 17.440 1.00 7.80 C ATOM 603 CD GLN A 354 5.253 20.431 16.328 1.00 8.26 C ATOM 604 OE1 GLN A 354 5.604 20.225 15.165 1.00 8.50 O ATOM 605 NE2 GLN A 354 4.537 21.489 16.670 1.00 8.68 N ATOM 0 H GLN A 354 8.742 17.847 17.663 1.00 6.98 H new ATOM 0 HA GLN A 354 7.803 20.215 16.175 1.00 7.10 H new ATOM 0 HB2 GLN A 354 7.137 19.103 18.903 1.00 7.49 H new ATOM 0 HB3 GLN A 354 6.876 20.798 18.539 1.00 7.49 H new ATOM 0 HG2 GLN A 354 5.667 18.451 17.036 1.00 7.80 H new ATOM 0 HG3 GLN A 354 4.834 19.467 18.196 1.00 7.80 H new ATOM 0 HE21 GLN A 354 4.264 21.627 17.643 1.00 8.68 H new ATOM 0 HE22 GLN A 354 4.258 22.167 15.961 1.00 8.68 H new ATOM 614 N ASN A 355 10.353 20.676 16.887 1.00 7.39 N ATOM 615 CA ASN A 355 11.396 21.659 17.130 1.00 7.86 C ATOM 616 C ASN A 355 10.990 22.935 16.418 1.00 7.88 C ATOM 617 O ASN A 355 11.182 24.045 16.921 1.00 8.43 O ATOM 618 CB ASN A 355 12.754 21.171 16.619 1.00 8.36 C ATOM 619 CG ASN A 355 13.869 22.173 16.875 1.00 9.04 C ATOM 620 OD1 ASN A 355 13.844 22.917 17.857 1.00 9.34 O ATOM 621 ND2 ASN A 355 14.855 22.201 15.991 1.00 9.55 N ATOM 0 H ASN A 355 10.527 20.057 16.095 1.00 7.39 H new ATOM 0 HA ASN A 355 11.504 21.829 18.201 1.00 7.86 H new ATOM 0 HB2 ASN A 355 13.002 20.226 17.102 1.00 8.36 H new ATOM 0 HB3 ASN A 355 12.686 20.974 15.549 1.00 8.36 H new ATOM 0 HD21 ASN A 355 15.629 22.854 16.111 1.00 9.55 H new ATOM 0 HD22 ASN A 355 14.840 21.569 15.190 1.00 9.55 H new ATOM 628 N GLN A 356 10.409 22.753 15.239 1.00 7.55 N ATOM 629 CA GLN A 356 9.756 23.833 14.527 1.00 7.79 C ATOM 630 C GLN A 356 8.505 24.246 15.289 1.00 7.86 C ATOM 631 O GLN A 356 7.693 23.403 15.676 1.00 8.00 O ATOM 632 CB GLN A 356 9.397 23.394 13.109 1.00 8.09 C ATOM 633 CG GLN A 356 8.570 24.413 12.341 1.00 8.51 C ATOM 634 CD GLN A 356 8.137 23.910 10.981 1.00 8.98 C ATOM 635 OE1 GLN A 356 8.819 24.121 9.978 1.00 9.12 O ATOM 636 NE2 GLN A 356 7.013 23.217 10.939 1.00 9.48 N ATOM 0 H GLN A 356 10.379 21.856 14.755 1.00 7.55 H new ATOM 0 HA GLN A 356 10.434 24.684 14.456 1.00 7.79 H new ATOM 0 HB2 GLN A 356 10.316 23.195 12.557 1.00 8.09 H new ATOM 0 HB3 GLN A 356 8.845 22.455 13.158 1.00 8.09 H new ATOM 0 HG2 GLN A 356 7.687 24.673 12.925 1.00 8.51 H new ATOM 0 HG3 GLN A 356 9.151 25.327 12.217 1.00 8.51 H new ATOM 0 HE21 GLN A 356 6.476 23.064 11.793 1.00 9.48 H new ATOM 0 HE22 GLN A 356 6.682 22.835 10.053 1.00 9.48 H new ATOM 645 N GLY A 357 8.369 25.534 15.513 1.00 8.09 N ATOM 646 CA GLY A 357 7.270 26.043 16.299 1.00 8.52 C ATOM 647 C GLY A 357 7.782 26.791 17.502 1.00 8.74 C ATOM 648 O GLY A 357 7.024 27.454 18.207 1.00 9.34 O ATOM 0 H GLY A 357 9.007 26.248 15.161 1.00 8.09 H new ATOM 0 HA2 GLY A 357 6.654 26.703 15.688 1.00 8.52 H new ATOM 0 HA3 GLY A 357 6.633 25.219 16.620 1.00 8.52 H new ATOM 652 N ASN A 358 9.085 26.697 17.715 1.00 8.53 N ATOM 653 CA ASN A 358 9.752 27.464 18.751 1.00 9.03 C ATOM 654 C ASN A 358 10.257 28.763 18.140 1.00 9.56 C ATOM 655 O ASN A 358 11.373 28.833 17.627 1.00 9.97 O ATOM 656 CB ASN A 358 10.916 26.666 19.352 1.00 8.90 C ATOM 657 CG ASN A 358 11.570 27.379 20.522 1.00 9.11 C ATOM 658 OD1 ASN A 358 12.509 28.155 20.347 1.00 9.38 O ATOM 659 ND2 ASN A 358 11.093 27.107 21.726 1.00 9.24 N ATOM 0 H ASN A 358 9.705 26.091 17.178 1.00 8.53 H new ATOM 0 HA ASN A 358 9.050 27.681 19.556 1.00 9.03 H new ATOM 0 HB2 ASN A 358 10.552 25.693 19.682 1.00 8.90 H new ATOM 0 HB3 ASN A 358 11.663 26.482 18.580 1.00 8.90 H new ATOM 0 HD21 ASN A 358 11.505 27.546 22.549 1.00 9.24 H new ATOM 0 HD22 ASN A 358 10.313 26.458 21.831 1.00 9.24 H new ATOM 666 N MET A 359 9.416 29.781 18.169 1.00 9.75 N ATOM 667 CA MET A 359 9.712 31.023 17.481 1.00 10.44 C ATOM 668 C MET A 359 10.030 32.132 18.469 1.00 10.94 C ATOM 669 O MET A 359 9.425 32.226 19.537 1.00 10.94 O ATOM 670 CB MET A 359 8.530 31.423 16.593 1.00 10.66 C ATOM 671 CG MET A 359 8.215 30.403 15.510 1.00 10.96 C ATOM 672 SD MET A 359 6.798 30.870 14.496 1.00 11.53 S ATOM 673 CE MET A 359 5.495 30.917 15.730 1.00 12.03 C ATOM 0 H MET A 359 8.523 29.772 18.662 1.00 9.75 H new ATOM 0 HA MET A 359 10.591 30.868 16.856 1.00 10.44 H new ATOM 0 HB2 MET A 359 7.647 31.563 17.217 1.00 10.66 H new ATOM 0 HB3 MET A 359 8.745 32.384 16.125 1.00 10.66 H new ATOM 0 HG2 MET A 359 9.088 30.279 14.870 1.00 10.96 H new ATOM 0 HG3 MET A 359 8.020 29.436 15.974 1.00 10.96 H new ATOM 0 HE1 MET A 359 4.526 30.819 15.240 1.00 12.03 H new ATOM 0 HE2 MET A 359 5.631 30.096 16.434 1.00 12.03 H new ATOM 0 HE3 MET A 359 5.536 31.865 16.266 1.00 12.03 H new ATOM 683 N GLN A 360 10.991 32.958 18.113 1.00 11.57 N ATOM 684 CA GLN A 360 11.370 34.085 18.935 1.00 12.30 C ATOM 685 C GLN A 360 11.787 35.237 18.042 1.00 12.97 C ATOM 686 O GLN A 360 11.505 36.400 18.392 1.00 13.47 O ATOM 687 CB GLN A 360 12.497 33.701 19.898 1.00 12.66 C ATOM 688 CG GLN A 360 13.716 33.084 19.229 1.00 12.82 C ATOM 689 CD GLN A 360 14.763 32.647 20.234 1.00 13.18 C ATOM 690 OE1 GLN A 360 14.440 32.276 21.365 1.00 13.44 O ATOM 691 NE2 GLN A 360 16.022 32.670 19.827 1.00 13.37 N ATOM 692 OXT GLN A 360 12.350 34.972 16.964 1.00 13.14 O ATOM 0 H GLN A 360 11.528 32.867 17.251 1.00 11.57 H new ATOM 0 HA GLN A 360 10.516 34.394 19.538 1.00 12.30 H new ATOM 0 HB2 GLN A 360 12.810 34.591 20.444 1.00 12.66 H new ATOM 0 HB3 GLN A 360 12.106 32.997 20.632 1.00 12.66 H new ATOM 0 HG2 GLN A 360 13.406 32.225 18.634 1.00 12.82 H new ATOM 0 HG3 GLN A 360 14.155 33.806 18.541 1.00 12.82 H new ATOM 0 HE21 GLN A 360 16.247 32.984 18.883 1.00 13.37 H new ATOM 0 HE22 GLN A 360 16.767 32.374 20.457 1.00 13.37 H new TER 701 GLN A 360