USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 334 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 352 ASN : amide:sc= 0.8 K(o=1.5,f=-1.8) USER MOD Set 1.2: A 358 ASN : amide:sc= 0.705 K(o=1.5,f=-1.8) USER MOD Set 2.1: A 345 ASN : amide:sc= 0.54 K(o=1.1,f=-0.012) USER MOD Set 2.2: A 346 GLN : amide:sc= 0.56 K(o=1.1,f=-0.085) USER MOD Single : A 311 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 312 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 317 SER OG : rot 180:sc= 0.365 USER MOD Single : A 319 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 322 MET CE :methyl -154:sc= -0.187 (180deg=-0.966) USER MOD Single : A 323 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 327 GLN : amide:sc=-0.00531 X(o=-0.0053,f=-0.0053) USER MOD Single : A 331 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 332 SER OG : rot 180:sc= 0.00964 USER MOD Single : A 333 SER OG : rot 180:sc= 0 USER MOD Single : A 336 MET CE :methyl -141:sc= -0.281 (180deg=-1.1) 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 -79:sc= 1.08 USER MOD Single : A 343 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.11) USER MOD Single : A 344 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 353 ASN :FLIP amide:sc= -0.157 F(o=-1.3,f=-0.16) USER MOD Single : A 354 GLN : amide:sc= -0.894! C(o=-0.89!,f=-4.2!) USER MOD Single : A 355 ASN : amide:sc= -0.0626 K(o=-0.063,f=-1.3!) USER MOD Single : A 356 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 359 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 360 GLN : amide:sc= -0.0257 X(o=-0.026,f=-0.091) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 23.263 16.232 -18.935 1.00 17.40 N ATOM 2 CA MET A 311 23.563 15.980 -20.368 1.00 17.36 C ATOM 3 C MET A 311 24.044 14.547 -20.584 1.00 16.99 C ATOM 4 O MET A 311 23.790 13.950 -21.630 1.00 17.05 O ATOM 5 CB MET A 311 24.629 16.958 -20.883 1.00 17.89 C ATOM 6 CG MET A 311 24.184 18.412 -20.888 1.00 18.43 C ATOM 7 SD MET A 311 25.471 19.528 -21.488 1.00 18.82 S ATOM 8 CE MET A 311 24.627 21.101 -21.370 1.00 19.56 C ATOM 0 HA MET A 311 22.639 16.131 -20.926 1.00 17.36 H new ATOM 0 HB2 MET A 311 25.522 16.864 -20.265 1.00 17.89 H new ATOM 0 HB3 MET A 311 24.911 16.672 -21.896 1.00 17.89 H new ATOM 0 HG2 MET A 311 23.298 18.515 -21.514 1.00 18.43 H new ATOM 0 HG3 MET A 311 23.897 18.704 -19.878 1.00 18.43 H new ATOM 0 HE1 MET A 311 25.292 21.897 -21.706 1.00 19.56 H new ATOM 0 HE2 MET A 311 23.736 21.084 -21.997 1.00 19.56 H new ATOM 0 HE3 MET A 311 24.339 21.282 -20.335 1.00 19.56 H new ATOM 20 N ASN A 312 24.726 13.992 -19.589 1.00 16.75 N ATOM 21 CA ASN A 312 25.299 12.657 -19.707 1.00 16.58 C ATOM 22 C ASN A 312 24.281 11.607 -19.281 1.00 16.05 C ATOM 23 O ASN A 312 23.937 11.502 -18.105 1.00 15.92 O ATOM 24 CB ASN A 312 26.568 12.538 -18.857 1.00 16.82 C ATOM 25 CG ASN A 312 27.642 13.527 -19.273 1.00 16.95 C ATOM 26 OD1 ASN A 312 27.681 14.660 -18.789 1.00 17.07 O ATOM 27 ND2 ASN A 312 28.524 13.109 -20.169 1.00 17.09 N ATOM 0 H ASN A 312 24.896 14.446 -18.691 1.00 16.75 H new ATOM 0 HA ASN A 312 25.565 12.487 -20.750 1.00 16.58 H new ATOM 0 HB2 ASN A 312 26.316 12.700 -17.809 1.00 16.82 H new ATOM 0 HB3 ASN A 312 26.961 11.525 -18.937 1.00 16.82 H new ATOM 0 HD21 ASN A 312 29.268 13.733 -20.481 1.00 17.09 H new ATOM 0 HD22 ASN A 312 28.459 12.164 -20.547 1.00 17.09 H new ATOM 34 N PHE A 313 23.805 10.841 -20.246 1.00 15.90 N ATOM 35 CA PHE A 313 22.770 9.844 -20.006 1.00 15.59 C ATOM 36 C PHE A 313 23.356 8.590 -19.358 1.00 14.78 C ATOM 37 O PHE A 313 24.219 7.924 -19.935 1.00 14.72 O ATOM 38 CB PHE A 313 22.079 9.493 -21.328 1.00 16.04 C ATOM 39 CG PHE A 313 20.903 8.564 -21.192 1.00 16.54 C ATOM 40 CD1 PHE A 313 19.719 9.000 -20.619 1.00 17.11 C ATOM 41 CD2 PHE A 313 20.983 7.255 -21.644 1.00 16.60 C ATOM 42 CE1 PHE A 313 18.637 8.152 -20.501 1.00 17.71 C ATOM 43 CE2 PHE A 313 19.903 6.402 -21.528 1.00 17.21 C ATOM 44 CZ PHE A 313 18.730 6.849 -20.955 1.00 17.76 C ATOM 0 H PHE A 313 24.121 10.890 -21.215 1.00 15.90 H new ATOM 0 HA PHE A 313 22.036 10.261 -19.317 1.00 15.59 H new ATOM 0 HB2 PHE A 313 21.744 10.415 -21.804 1.00 16.04 H new ATOM 0 HB3 PHE A 313 22.810 9.037 -21.995 1.00 16.04 H new ATOM 0 HD1 PHE A 313 19.642 10.016 -20.260 1.00 17.11 H new ATOM 0 HD2 PHE A 313 21.899 6.899 -22.091 1.00 16.60 H new ATOM 0 HE1 PHE A 313 17.719 8.505 -20.055 1.00 17.71 H new ATOM 0 HE2 PHE A 313 19.977 5.386 -21.886 1.00 17.21 H new ATOM 0 HZ PHE A 313 17.886 6.182 -20.861 1.00 17.76 H new ATOM 54 N GLY A 314 22.883 8.284 -18.156 1.00 14.30 N ATOM 55 CA GLY A 314 23.349 7.115 -17.436 1.00 13.66 C ATOM 56 C GLY A 314 22.670 6.987 -16.089 1.00 13.23 C ATOM 57 O GLY A 314 21.588 7.540 -15.890 1.00 13.59 O ATOM 0 H GLY A 314 22.177 8.831 -17.663 1.00 14.30 H new ATOM 0 HA2 GLY A 314 23.156 6.221 -18.028 1.00 13.66 H new ATOM 0 HA3 GLY A 314 24.428 7.178 -17.296 1.00 13.66 H new ATOM 61 N ALA A 315 23.292 6.260 -15.168 1.00 12.65 N ATOM 62 CA ALA A 315 22.761 6.120 -13.817 1.00 12.37 C ATOM 63 C ALA A 315 23.057 7.371 -12.994 1.00 11.49 C ATOM 64 O ALA A 315 24.106 7.474 -12.355 1.00 11.05 O ATOM 65 CB ALA A 315 23.340 4.884 -13.141 1.00 12.55 C ATOM 0 H ALA A 315 24.165 5.758 -15.332 1.00 12.65 H new ATOM 0 HA ALA A 315 21.680 6.000 -13.882 1.00 12.37 H new ATOM 0 HB1 ALA A 315 22.933 4.796 -12.134 1.00 12.55 H new ATOM 0 HB2 ALA A 315 23.077 3.997 -13.718 1.00 12.55 H new ATOM 0 HB3 ALA A 315 24.425 4.973 -13.087 1.00 12.55 H new ATOM 71 N PHE A 316 22.119 8.310 -13.010 1.00 11.43 N ATOM 72 CA PHE A 316 22.301 9.609 -12.369 1.00 10.85 C ATOM 73 C PHE A 316 22.400 9.485 -10.856 1.00 10.07 C ATOM 74 O PHE A 316 23.410 9.859 -10.261 1.00 9.85 O ATOM 75 CB PHE A 316 21.147 10.551 -12.722 1.00 11.20 C ATOM 76 CG PHE A 316 21.075 10.910 -14.179 1.00 11.56 C ATOM 77 CD1 PHE A 316 21.864 11.927 -14.696 1.00 11.89 C ATOM 78 CD2 PHE A 316 20.213 10.239 -15.031 1.00 11.80 C ATOM 79 CE1 PHE A 316 21.793 12.263 -16.033 1.00 12.42 C ATOM 80 CE2 PHE A 316 20.138 10.573 -16.370 1.00 12.36 C ATOM 81 CZ PHE A 316 20.929 11.586 -16.871 1.00 12.67 C ATOM 0 H PHE A 316 21.214 8.195 -13.465 1.00 11.43 H new ATOM 0 HA PHE A 316 23.239 10.019 -12.744 1.00 10.85 H new ATOM 0 HB2 PHE A 316 20.207 10.084 -12.426 1.00 11.20 H new ATOM 0 HB3 PHE A 316 21.246 11.466 -12.137 1.00 11.20 H new ATOM 0 HD1 PHE A 316 22.541 12.461 -14.046 1.00 11.89 H new ATOM 0 HD2 PHE A 316 19.592 9.445 -14.644 1.00 11.80 H new ATOM 0 HE1 PHE A 316 22.414 13.056 -16.424 1.00 12.42 H new ATOM 0 HE2 PHE A 316 19.461 10.042 -17.023 1.00 12.36 H new ATOM 0 HZ PHE A 316 20.873 11.849 -17.917 1.00 12.67 H new ATOM 91 N SER A 317 21.354 8.956 -10.239 1.00 9.87 N ATOM 92 CA SER A 317 21.268 8.933 -8.789 1.00 9.34 C ATOM 93 C SER A 317 21.714 7.589 -8.206 1.00 8.25 C ATOM 94 O SER A 317 22.912 7.315 -8.090 1.00 8.10 O ATOM 95 CB SER A 317 19.836 9.261 -8.353 1.00 9.90 C ATOM 96 OG SER A 317 18.894 8.467 -9.060 1.00 10.38 O ATOM 0 H SER A 317 20.556 8.539 -10.719 1.00 9.87 H new ATOM 0 HA SER A 317 21.950 9.689 -8.400 1.00 9.34 H new ATOM 0 HB2 SER A 317 19.730 9.090 -7.282 1.00 9.90 H new ATOM 0 HB3 SER A 317 19.631 10.317 -8.529 1.00 9.90 H new ATOM 0 HG SER A 317 17.988 8.693 -8.763 1.00 10.38 H new ATOM 102 N ILE A 318 20.746 6.745 -7.876 1.00 7.73 N ATOM 103 CA ILE A 318 21.016 5.505 -7.159 1.00 6.82 C ATOM 104 C ILE A 318 20.534 4.303 -7.956 1.00 6.18 C ATOM 105 O ILE A 318 19.530 4.380 -8.664 1.00 6.36 O ATOM 106 CB ILE A 318 20.310 5.499 -5.778 1.00 6.89 C ATOM 107 CG1 ILE A 318 20.640 6.775 -5.000 1.00 7.43 C ATOM 108 CG2 ILE A 318 20.715 4.271 -4.970 1.00 7.27 C ATOM 109 CD1 ILE A 318 19.882 6.907 -3.694 1.00 7.71 C ATOM 0 H ILE A 318 19.761 6.897 -8.095 1.00 7.73 H new ATOM 0 HA ILE A 318 22.095 5.441 -7.017 1.00 6.82 H new ATOM 0 HB ILE A 318 19.234 5.462 -5.948 1.00 6.89 H new ATOM 0 HG12 ILE A 318 21.710 6.797 -4.792 1.00 7.43 H new ATOM 0 HG13 ILE A 318 20.419 7.639 -5.627 1.00 7.43 H new ATOM 0 HG21 ILE A 318 20.208 4.287 -4.005 1.00 7.27 H new ATOM 0 HG22 ILE A 318 20.433 3.369 -5.513 1.00 7.27 H new ATOM 0 HG23 ILE A 318 21.794 4.278 -4.813 1.00 7.27 H new ATOM 0 HD11 ILE A 318 20.168 7.835 -3.199 1.00 7.71 H new ATOM 0 HD12 ILE A 318 18.811 6.918 -3.895 1.00 7.71 H new ATOM 0 HD13 ILE A 318 20.121 6.063 -3.047 1.00 7.71 H new ATOM 121 N ASN A 319 21.262 3.198 -7.849 1.00 5.79 N ATOM 122 CA ASN A 319 20.819 1.930 -8.410 1.00 5.44 C ATOM 123 C ASN A 319 20.205 1.082 -7.298 1.00 4.60 C ATOM 124 O ASN A 319 20.919 0.381 -6.575 1.00 4.37 O ATOM 125 CB ASN A 319 21.995 1.189 -9.056 1.00 6.14 C ATOM 126 CG ASN A 319 21.584 -0.116 -9.717 1.00 6.86 C ATOM 127 OD1 ASN A 319 20.407 -0.136 -10.332 1.00 7.02 O flip ATOM 128 ND2 ASN A 319 22.335 -1.090 -9.700 1.00 7.58 N flip ATOM 0 H ASN A 319 22.165 3.156 -7.377 1.00 5.79 H new ATOM 0 HA ASN A 319 20.072 2.117 -9.182 1.00 5.44 H new ATOM 0 HB2 ASN A 319 22.460 1.836 -9.800 1.00 6.14 H new ATOM 0 HB3 ASN A 319 22.749 0.983 -8.296 1.00 6.14 H new ATOM 0 HD21 ASN A 319 23.231 -1.034 -9.216 1.00 7.58 H new ATOM 0 HD22 ASN A 319 22.061 -1.953 -10.170 1.00 7.58 H new ATOM 135 N PRO A 320 18.874 1.147 -7.136 1.00 4.45 N ATOM 136 CA PRO A 320 18.181 0.509 -6.023 1.00 4.02 C ATOM 137 C PRO A 320 17.852 -0.956 -6.295 1.00 3.55 C ATOM 138 O PRO A 320 16.706 -1.382 -6.145 1.00 3.28 O ATOM 139 CB PRO A 320 16.905 1.340 -5.914 1.00 4.60 C ATOM 140 CG PRO A 320 16.604 1.754 -7.315 1.00 5.20 C ATOM 141 CD PRO A 320 17.930 1.842 -8.036 1.00 5.13 C ATOM 0 HA PRO A 320 18.783 0.486 -5.114 1.00 4.02 H new ATOM 0 HB2 PRO A 320 16.088 0.757 -5.489 1.00 4.60 H new ATOM 0 HB3 PRO A 320 17.050 2.205 -5.267 1.00 4.60 H new ATOM 0 HG2 PRO A 320 15.947 1.032 -7.799 1.00 5.20 H new ATOM 0 HG3 PRO A 320 16.089 2.715 -7.333 1.00 5.20 H new ATOM 0 HD2 PRO A 320 17.885 1.363 -9.014 1.00 5.13 H new ATOM 0 HD3 PRO A 320 18.226 2.878 -8.202 1.00 5.13 H new ATOM 149 N ALA A 321 18.866 -1.726 -6.668 1.00 3.54 N ATOM 150 CA ALA A 321 18.686 -3.138 -6.974 1.00 3.23 C ATOM 151 C ALA A 321 18.179 -3.901 -5.756 1.00 2.87 C ATOM 152 O ALA A 321 17.267 -4.727 -5.858 1.00 2.56 O ATOM 153 CB ALA A 321 19.993 -3.735 -7.472 1.00 3.49 C ATOM 0 H ALA A 321 19.825 -1.394 -6.766 1.00 3.54 H new ATOM 0 HA ALA A 321 17.936 -3.226 -7.760 1.00 3.23 H new ATOM 0 HB1 ALA A 321 19.848 -4.791 -7.698 1.00 3.49 H new ATOM 0 HB2 ALA A 321 20.312 -3.212 -8.373 1.00 3.49 H new ATOM 0 HB3 ALA A 321 20.757 -3.631 -6.702 1.00 3.49 H new ATOM 159 N MET A 322 18.754 -3.603 -4.597 1.00 3.00 N ATOM 160 CA MET A 322 18.348 -4.257 -3.359 1.00 2.79 C ATOM 161 C MET A 322 17.011 -3.704 -2.869 1.00 2.47 C ATOM 162 O MET A 322 16.192 -4.439 -2.323 1.00 2.15 O ATOM 163 CB MET A 322 19.414 -4.090 -2.269 1.00 3.15 C ATOM 164 CG MET A 322 19.631 -2.652 -1.824 1.00 3.58 C ATOM 165 SD MET A 322 20.737 -2.519 -0.409 1.00 4.04 S ATOM 166 CE MET A 322 19.820 -3.444 0.819 1.00 5.05 C ATOM 0 H MET A 322 19.500 -2.916 -4.489 1.00 3.00 H new ATOM 0 HA MET A 322 18.234 -5.320 -3.570 1.00 2.79 H new ATOM 0 HB2 MET A 322 19.129 -4.687 -1.403 1.00 3.15 H new ATOM 0 HB3 MET A 322 20.359 -4.491 -2.636 1.00 3.15 H new ATOM 0 HG2 MET A 322 20.040 -2.077 -2.655 1.00 3.58 H new ATOM 0 HG3 MET A 322 18.669 -2.206 -1.571 1.00 3.58 H new ATOM 0 HE1 MET A 322 20.091 -3.094 1.815 1.00 5.05 H new ATOM 0 HE2 MET A 322 18.751 -3.298 0.661 1.00 5.05 H new ATOM 0 HE3 MET A 322 20.058 -4.504 0.729 1.00 5.05 H new ATOM 176 N MET A 323 16.794 -2.411 -3.080 1.00 2.62 N ATOM 177 CA MET A 323 15.564 -1.762 -2.633 1.00 2.46 C ATOM 178 C MET A 323 14.366 -2.294 -3.409 1.00 2.10 C ATOM 179 O MET A 323 13.284 -2.470 -2.859 1.00 1.85 O ATOM 180 CB MET A 323 15.665 -0.244 -2.791 1.00 2.84 C ATOM 181 CG MET A 323 16.760 0.387 -1.942 1.00 3.05 C ATOM 182 SD MET A 323 16.593 0.001 -0.188 1.00 3.43 S ATOM 183 CE MET A 323 18.001 0.878 0.489 1.00 3.62 C ATOM 0 H MET A 323 17.450 -1.792 -3.556 1.00 2.62 H new ATOM 0 HA MET A 323 15.424 -1.991 -1.576 1.00 2.46 H new ATOM 0 HB2 MET A 323 15.848 -0.008 -3.839 1.00 2.84 H new ATOM 0 HB3 MET A 323 14.708 0.205 -2.526 1.00 2.84 H new ATOM 0 HG2 MET A 323 17.732 0.041 -2.295 1.00 3.05 H new ATOM 0 HG3 MET A 323 16.739 1.469 -2.075 1.00 3.05 H new ATOM 0 HE1 MET A 323 18.034 0.735 1.569 1.00 3.62 H new ATOM 0 HE2 MET A 323 18.918 0.492 0.044 1.00 3.62 H new ATOM 0 HE3 MET A 323 17.909 1.941 0.267 1.00 3.62 H new ATOM 193 N ALA A 324 14.579 -2.559 -4.690 1.00 2.17 N ATOM 194 CA ALA A 324 13.540 -3.119 -5.545 1.00 1.99 C ATOM 195 C ALA A 324 13.212 -4.544 -5.117 1.00 1.65 C ATOM 196 O ALA A 324 12.052 -4.954 -5.114 1.00 1.44 O ATOM 197 CB ALA A 324 13.977 -3.086 -7.004 1.00 2.32 C ATOM 0 H ALA A 324 15.467 -2.394 -5.163 1.00 2.17 H new ATOM 0 HA ALA A 324 12.641 -2.512 -5.442 1.00 1.99 H new ATOM 0 HB1 ALA A 324 13.190 -3.508 -7.629 1.00 2.32 H new ATOM 0 HB2 ALA A 324 14.166 -2.055 -7.304 1.00 2.32 H new ATOM 0 HB3 ALA A 324 14.889 -3.671 -7.124 1.00 2.32 H new ATOM 203 N ALA A 325 14.249 -5.291 -4.741 1.00 1.69 N ATOM 204 CA ALA A 325 14.073 -6.644 -4.231 1.00 1.53 C ATOM 205 C ALA A 325 13.294 -6.610 -2.920 1.00 1.28 C ATOM 206 O ALA A 325 12.506 -7.507 -2.627 1.00 1.15 O ATOM 207 CB ALA A 325 15.426 -7.318 -4.041 1.00 1.81 C ATOM 0 H ALA A 325 15.219 -4.979 -4.781 1.00 1.69 H new ATOM 0 HA ALA A 325 13.503 -7.226 -4.956 1.00 1.53 H new ATOM 0 HB1 ALA A 325 15.279 -8.328 -3.659 1.00 1.81 H new ATOM 0 HB2 ALA A 325 15.947 -7.364 -4.997 1.00 1.81 H new ATOM 0 HB3 ALA A 325 16.021 -6.745 -3.330 1.00 1.81 H new ATOM 213 N ALA A 326 13.518 -5.556 -2.143 1.00 1.36 N ATOM 214 CA ALA A 326 12.796 -5.332 -0.913 1.00 1.30 C ATOM 215 C ALA A 326 11.325 -5.119 -1.220 1.00 1.05 C ATOM 216 O ALA A 326 10.477 -5.756 -0.625 1.00 0.93 O ATOM 217 CB ALA A 326 13.384 -4.129 -0.194 1.00 1.68 C ATOM 0 H ALA A 326 14.208 -4.836 -2.356 1.00 1.36 H new ATOM 0 HA ALA A 326 12.888 -6.202 -0.262 1.00 1.30 H new ATOM 0 HB1 ALA A 326 12.840 -3.959 0.735 1.00 1.68 H new ATOM 0 HB2 ALA A 326 14.434 -4.316 0.030 1.00 1.68 H new ATOM 0 HB3 ALA A 326 13.300 -3.248 -0.830 1.00 1.68 H new ATOM 223 N GLN A 327 11.037 -4.249 -2.183 1.00 1.11 N ATOM 224 CA GLN A 327 9.657 -3.965 -2.594 1.00 1.11 C ATOM 225 C GLN A 327 8.945 -5.234 -3.028 1.00 0.86 C ATOM 226 O GLN A 327 7.829 -5.514 -2.594 1.00 0.84 O ATOM 227 CB GLN A 327 9.649 -3.007 -3.771 1.00 1.38 C ATOM 228 CG GLN A 327 10.420 -1.719 -3.527 1.00 1.63 C ATOM 229 CD GLN A 327 9.843 -0.881 -2.399 1.00 1.81 C ATOM 230 OE1 GLN A 327 10.203 -1.047 -1.236 1.00 2.56 O ATOM 231 NE2 GLN A 327 8.956 0.041 -2.740 1.00 1.90 N ATOM 0 H GLN A 327 11.742 -3.723 -2.699 1.00 1.11 H new ATOM 0 HA GLN A 327 9.145 -3.528 -1.736 1.00 1.11 H new ATOM 0 HB2 GLN A 327 10.071 -3.512 -4.640 1.00 1.38 H new ATOM 0 HB3 GLN A 327 8.617 -2.759 -4.017 1.00 1.38 H new ATOM 0 HG2 GLN A 327 11.457 -1.962 -3.296 1.00 1.63 H new ATOM 0 HG3 GLN A 327 10.427 -1.128 -4.443 1.00 1.63 H new ATOM 0 HE21 GLN A 327 8.682 0.149 -3.717 1.00 1.90 H new ATOM 0 HE22 GLN A 327 8.547 0.644 -2.026 1.00 1.90 H new ATOM 240 N ALA A 328 9.610 -5.995 -3.891 1.00 0.82 N ATOM 241 CA ALA A 328 9.052 -7.232 -4.419 1.00 0.84 C ATOM 242 C ALA A 328 8.758 -8.203 -3.309 1.00 0.70 C ATOM 243 O ALA A 328 7.721 -8.867 -3.294 1.00 0.80 O ATOM 244 CB ALA A 328 10.023 -7.905 -5.366 1.00 0.98 C ATOM 0 H ALA A 328 10.542 -5.773 -4.241 1.00 0.82 H new ATOM 0 HA ALA A 328 8.135 -6.966 -4.945 1.00 0.84 H new ATOM 0 HB1 ALA A 328 9.581 -8.826 -5.746 1.00 0.98 H new ATOM 0 HB2 ALA A 328 10.241 -7.237 -6.199 1.00 0.98 H new ATOM 0 HB3 ALA A 328 10.947 -8.137 -4.836 1.00 0.98 H new ATOM 250 N ALA A 329 9.695 -8.296 -2.391 1.00 0.61 N ATOM 251 CA ALA A 329 9.624 -9.299 -1.374 1.00 0.69 C ATOM 252 C ALA A 329 8.688 -8.867 -0.255 1.00 0.55 C ATOM 253 O ALA A 329 7.931 -9.661 0.297 1.00 0.63 O ATOM 254 CB ALA A 329 11.007 -9.624 -0.830 1.00 0.92 C ATOM 0 H ALA A 329 10.511 -7.686 -2.335 1.00 0.61 H new ATOM 0 HA ALA A 329 9.220 -10.206 -1.823 1.00 0.69 H new ATOM 0 HB1 ALA A 329 10.924 -10.389 -0.058 1.00 0.92 H new ATOM 0 HB2 ALA A 329 11.639 -9.991 -1.639 1.00 0.92 H new ATOM 0 HB3 ALA A 329 11.450 -8.725 -0.403 1.00 0.92 H new ATOM 260 N LEU A 330 8.766 -7.584 0.065 1.00 0.46 N ATOM 261 CA LEU A 330 7.948 -6.969 1.099 1.00 0.45 C ATOM 262 C LEU A 330 6.502 -6.854 0.631 1.00 0.41 C ATOM 263 O LEU A 330 5.606 -6.527 1.415 1.00 0.46 O ATOM 264 CB LEU A 330 8.502 -5.576 1.424 1.00 0.59 C ATOM 265 CG LEU A 330 8.183 -5.055 2.826 1.00 0.93 C ATOM 266 CD1 LEU A 330 8.768 -5.974 3.885 1.00 1.52 C ATOM 267 CD2 LEU A 330 8.710 -3.639 2.997 1.00 1.59 C ATOM 0 H LEU A 330 9.406 -6.934 -0.391 1.00 0.46 H new ATOM 0 HA LEU A 330 7.976 -7.591 1.993 1.00 0.45 H new ATOM 0 HB2 LEU A 330 9.585 -5.596 1.300 1.00 0.59 H new ATOM 0 HB3 LEU A 330 8.110 -4.868 0.694 1.00 0.59 H new ATOM 0 HG LEU A 330 7.100 -5.039 2.950 1.00 0.93 H new ATOM 0 HD11 LEU A 330 8.530 -5.586 4.875 1.00 1.52 H new ATOM 0 HD12 LEU A 330 8.344 -6.972 3.775 1.00 1.52 H new ATOM 0 HD13 LEU A 330 9.850 -6.024 3.765 1.00 1.52 H new ATOM 0 HD21 LEU A 330 8.475 -3.282 4.000 1.00 1.59 H new ATOM 0 HD22 LEU A 330 9.790 -3.633 2.853 1.00 1.59 H new ATOM 0 HD23 LEU A 330 8.243 -2.985 2.261 1.00 1.59 H new ATOM 279 N GLN A 331 6.292 -7.117 -0.661 1.00 0.46 N ATOM 280 CA GLN A 331 4.986 -6.996 -1.301 1.00 0.59 C ATOM 281 C GLN A 331 3.897 -7.763 -0.540 1.00 0.59 C ATOM 282 O GLN A 331 2.726 -7.386 -0.572 1.00 0.70 O ATOM 283 CB GLN A 331 5.066 -7.489 -2.746 1.00 0.77 C ATOM 284 CG GLN A 331 3.780 -7.311 -3.538 1.00 1.46 C ATOM 285 CD GLN A 331 3.926 -7.752 -4.979 1.00 1.83 C ATOM 286 OE1 GLN A 331 4.278 -6.959 -5.854 1.00 2.27 O ATOM 287 NE2 GLN A 331 3.667 -9.023 -5.237 1.00 2.41 N ATOM 0 H GLN A 331 7.031 -7.422 -1.295 1.00 0.46 H new ATOM 0 HA GLN A 331 4.710 -5.942 -1.289 1.00 0.59 H new ATOM 0 HB2 GLN A 331 5.870 -6.957 -3.255 1.00 0.77 H new ATOM 0 HB3 GLN A 331 5.334 -8.545 -2.743 1.00 0.77 H new ATOM 0 HG2 GLN A 331 2.982 -7.883 -3.064 1.00 1.46 H new ATOM 0 HG3 GLN A 331 3.481 -6.263 -3.510 1.00 1.46 H new ATOM 0 HE21 GLN A 331 3.378 -9.648 -4.484 1.00 2.41 H new ATOM 0 HE22 GLN A 331 3.756 -9.379 -6.189 1.00 2.41 H new ATOM 296 N SER A 332 4.288 -8.831 0.142 1.00 0.53 N ATOM 297 CA SER A 332 3.353 -9.632 0.926 1.00 0.59 C ATOM 298 C SER A 332 2.675 -8.788 2.009 1.00 0.58 C ATOM 299 O SER A 332 1.453 -8.812 2.161 1.00 0.67 O ATOM 300 CB SER A 332 4.094 -10.811 1.563 1.00 0.63 C ATOM 301 OG SER A 332 5.313 -10.385 2.156 1.00 1.46 O ATOM 0 H SER A 332 5.251 -9.165 0.169 1.00 0.53 H new ATOM 0 HA SER A 332 2.577 -10.008 0.259 1.00 0.59 H new ATOM 0 HB2 SER A 332 3.461 -11.278 2.318 1.00 0.63 H new ATOM 0 HB3 SER A 332 4.299 -11.568 0.806 1.00 0.63 H new ATOM 0 HG SER A 332 5.768 -11.155 2.558 1.00 1.46 H new ATOM 307 N SER A 333 3.478 -8.033 2.746 1.00 0.54 N ATOM 308 CA SER A 333 2.979 -7.231 3.853 1.00 0.62 C ATOM 309 C SER A 333 2.548 -5.846 3.372 1.00 0.65 C ATOM 310 O SER A 333 1.465 -5.366 3.706 1.00 0.70 O ATOM 311 CB SER A 333 4.054 -7.105 4.937 1.00 0.74 C ATOM 312 OG SER A 333 3.559 -6.423 6.072 1.00 1.39 O ATOM 0 H SER A 333 4.484 -7.960 2.595 1.00 0.54 H new ATOM 0 HA SER A 333 2.107 -7.731 4.274 1.00 0.62 H new ATOM 0 HB2 SER A 333 4.399 -8.097 5.228 1.00 0.74 H new ATOM 0 HB3 SER A 333 4.917 -6.572 4.537 1.00 0.74 H new ATOM 0 HG SER A 333 4.265 -6.358 6.748 1.00 1.39 H new ATOM 318 N TRP A 334 3.390 -5.224 2.561 1.00 0.67 N ATOM 319 CA TRP A 334 3.198 -3.832 2.169 1.00 0.77 C ATOM 320 C TRP A 334 2.276 -3.715 0.955 1.00 0.76 C ATOM 321 O TRP A 334 1.540 -2.735 0.815 1.00 0.83 O ATOM 322 CB TRP A 334 4.566 -3.196 1.877 1.00 0.89 C ATOM 323 CG TRP A 334 4.496 -1.867 1.191 1.00 1.04 C ATOM 324 CD1 TRP A 334 4.849 -1.603 -0.099 1.00 1.68 C ATOM 325 CD2 TRP A 334 4.054 -0.622 1.752 1.00 1.63 C ATOM 326 NE1 TRP A 334 4.648 -0.275 -0.381 1.00 2.16 N ATOM 327 CE2 TRP A 334 4.163 0.350 0.739 1.00 2.03 C ATOM 328 CE3 TRP A 334 3.573 -0.233 3.009 1.00 2.43 C ATOM 329 CZ2 TRP A 334 3.810 1.682 0.942 1.00 2.72 C ATOM 330 CZ3 TRP A 334 3.227 1.092 3.208 1.00 3.17 C ATOM 331 CH2 TRP A 334 3.346 2.034 2.181 1.00 3.18 C ATOM 0 H TRP A 334 4.218 -5.662 2.158 1.00 0.67 H new ATOM 0 HA TRP A 334 2.717 -3.300 2.990 1.00 0.77 H new ATOM 0 HB2 TRP A 334 5.106 -3.078 2.816 1.00 0.89 H new ATOM 0 HB3 TRP A 334 5.147 -3.880 1.259 1.00 0.89 H new ATOM 0 HD1 TRP A 334 5.231 -2.333 -0.797 1.00 1.68 H new ATOM 0 HE1 TRP A 334 4.830 0.174 -1.278 1.00 2.16 H new ATOM 0 HE3 TRP A 334 3.474 -0.953 3.807 1.00 2.43 H new ATOM 0 HZ2 TRP A 334 3.899 2.411 0.150 1.00 2.72 H new ATOM 0 HZ3 TRP A 334 2.858 1.404 4.174 1.00 3.17 H new ATOM 0 HH2 TRP A 334 3.066 3.060 2.369 1.00 3.18 H new ATOM 342 N GLY A 335 2.288 -4.730 0.106 1.00 0.74 N ATOM 343 CA GLY A 335 1.478 -4.701 -1.096 1.00 0.83 C ATOM 344 C GLY A 335 -0.006 -4.662 -0.792 1.00 0.76 C ATOM 345 O GLY A 335 -0.746 -3.880 -1.394 1.00 0.80 O ATOM 0 H GLY A 335 2.845 -5.576 0.227 1.00 0.74 H new ATOM 0 HA2 GLY A 335 1.747 -3.828 -1.691 1.00 0.83 H new ATOM 0 HA3 GLY A 335 1.699 -5.580 -1.701 1.00 0.83 H new ATOM 349 N MET A 336 -0.442 -5.481 0.164 1.00 0.70 N ATOM 350 CA MET A 336 -1.852 -5.510 0.542 1.00 0.70 C ATOM 351 C MET A 336 -2.261 -4.213 1.226 1.00 0.61 C ATOM 352 O MET A 336 -3.412 -3.812 1.142 1.00 0.61 O ATOM 353 CB MET A 336 -2.184 -6.710 1.439 1.00 0.80 C ATOM 354 CG MET A 336 -3.620 -6.695 1.960 1.00 0.93 C ATOM 355 SD MET A 336 -4.095 -8.237 2.764 1.00 1.58 S ATOM 356 CE MET A 336 -3.891 -9.400 1.417 1.00 2.31 C ATOM 0 H MET A 336 0.153 -6.125 0.685 1.00 0.70 H new ATOM 0 HA MET A 336 -2.424 -5.617 -0.380 1.00 0.70 H new ATOM 0 HB2 MET A 336 -2.017 -7.630 0.879 1.00 0.80 H new ATOM 0 HB3 MET A 336 -1.498 -6.723 2.286 1.00 0.80 H new ATOM 0 HG2 MET A 336 -3.736 -5.873 2.666 1.00 0.93 H new ATOM 0 HG3 MET A 336 -4.299 -6.500 1.130 1.00 0.93 H new ATOM 0 HE1 MET A 336 -4.696 -10.134 1.445 1.00 2.31 H new ATOM 0 HE2 MET A 336 -3.921 -8.866 0.467 1.00 2.31 H new ATOM 0 HE3 MET A 336 -2.932 -9.908 1.517 1.00 2.31 H new ATOM 366 N MET A 337 -1.319 -3.546 1.883 1.00 0.61 N ATOM 367 CA MET A 337 -1.613 -2.269 2.529 1.00 0.62 C ATOM 368 C MET A 337 -2.147 -1.275 1.504 1.00 0.56 C ATOM 369 O MET A 337 -3.174 -0.630 1.719 1.00 0.59 O ATOM 370 CB MET A 337 -0.371 -1.700 3.215 1.00 0.74 C ATOM 371 CG MET A 337 0.132 -2.554 4.368 1.00 1.19 C ATOM 372 SD MET A 337 -1.119 -2.813 5.643 1.00 2.22 S ATOM 373 CE MET A 337 -0.198 -3.812 6.811 1.00 3.15 C ATOM 0 H MET A 337 -0.355 -3.863 1.983 1.00 0.61 H new ATOM 0 HA MET A 337 -2.373 -2.441 3.291 1.00 0.62 H new ATOM 0 HB2 MET A 337 0.425 -1.594 2.478 1.00 0.74 H new ATOM 0 HB3 MET A 337 -0.597 -0.700 3.586 1.00 0.74 H new ATOM 0 HG2 MET A 337 0.458 -3.520 3.983 1.00 1.19 H new ATOM 0 HG3 MET A 337 1.005 -2.077 4.813 1.00 1.19 H new ATOM 0 HE1 MET A 337 -0.835 -4.057 7.661 1.00 3.15 H new ATOM 0 HE2 MET A 337 0.129 -4.731 6.325 1.00 3.15 H new ATOM 0 HE3 MET A 337 0.673 -3.256 7.158 1.00 3.15 H new ATOM 383 N GLY A 338 -1.454 -1.182 0.377 1.00 0.60 N ATOM 384 CA GLY A 338 -1.909 -0.340 -0.712 1.00 0.66 C ATOM 385 C GLY A 338 -3.174 -0.865 -1.343 1.00 0.57 C ATOM 386 O GLY A 338 -4.101 -0.102 -1.558 1.00 0.58 O ATOM 0 H GLY A 338 -0.581 -1.677 0.197 1.00 0.60 H new ATOM 0 HA2 GLY A 338 -2.081 0.670 -0.341 1.00 0.66 H new ATOM 0 HA3 GLY A 338 -1.127 -0.273 -1.469 1.00 0.66 H new ATOM 390 N MET A 339 -3.238 -2.168 -1.610 1.00 0.58 N ATOM 391 CA MET A 339 -4.421 -2.750 -2.245 1.00 0.66 C ATOM 392 C MET A 339 -5.646 -2.534 -1.383 1.00 0.54 C ATOM 393 O MET A 339 -6.710 -2.164 -1.872 1.00 0.62 O ATOM 394 CB MET A 339 -4.255 -4.250 -2.444 1.00 0.85 C ATOM 395 CG MET A 339 -3.056 -4.647 -3.288 1.00 1.24 C ATOM 396 SD MET A 339 -2.870 -6.436 -3.421 1.00 2.05 S ATOM 397 CE MET A 339 -1.414 -6.548 -4.456 1.00 2.55 C ATOM 0 H MET A 339 -2.495 -2.835 -1.400 1.00 0.58 H new ATOM 0 HA MET A 339 -4.540 -2.258 -3.210 1.00 0.66 H new ATOM 0 HB2 MET A 339 -4.168 -4.725 -1.467 1.00 0.85 H new ATOM 0 HB3 MET A 339 -5.158 -4.643 -2.911 1.00 0.85 H new ATOM 0 HG2 MET A 339 -3.160 -4.220 -4.286 1.00 1.24 H new ATOM 0 HG3 MET A 339 -2.152 -4.222 -2.852 1.00 1.24 H new ATOM 0 HE1 MET A 339 -1.171 -7.596 -4.629 1.00 2.55 H new ATOM 0 HE2 MET A 339 -1.607 -6.058 -5.410 1.00 2.55 H new ATOM 0 HE3 MET A 339 -0.576 -6.058 -3.960 1.00 2.55 H new ATOM 407 N LEU A 340 -5.472 -2.742 -0.088 1.00 0.46 N ATOM 408 CA LEU A 340 -6.574 -2.677 0.842 1.00 0.58 C ATOM 409 C LEU A 340 -7.129 -1.256 0.893 1.00 0.56 C ATOM 410 O LEU A 340 -8.342 -1.033 0.830 1.00 0.69 O ATOM 411 CB LEU A 340 -6.114 -3.104 2.239 1.00 0.73 C ATOM 412 CG LEU A 340 -7.230 -3.356 3.254 1.00 1.13 C ATOM 413 CD1 LEU A 340 -8.014 -4.606 2.884 1.00 1.60 C ATOM 414 CD2 LEU A 340 -6.651 -3.478 4.656 1.00 1.76 C ATOM 0 H LEU A 340 -4.571 -2.958 0.339 1.00 0.46 H new ATOM 0 HA LEU A 340 -7.357 -3.356 0.505 1.00 0.58 H new ATOM 0 HB2 LEU A 340 -5.521 -4.014 2.144 1.00 0.73 H new ATOM 0 HB3 LEU A 340 -5.454 -2.333 2.636 1.00 0.73 H new ATOM 0 HG LEU A 340 -7.914 -2.508 3.237 1.00 1.13 H new ATOM 0 HD11 LEU A 340 -8.804 -4.770 3.617 1.00 1.60 H new ATOM 0 HD12 LEU A 340 -8.456 -4.479 1.896 1.00 1.60 H new ATOM 0 HD13 LEU A 340 -7.344 -5.466 2.874 1.00 1.60 H new ATOM 0 HD21 LEU A 340 -7.457 -3.657 5.368 1.00 1.76 H new ATOM 0 HD22 LEU A 340 -5.947 -4.310 4.688 1.00 1.76 H new ATOM 0 HD23 LEU A 340 -6.134 -2.555 4.918 1.00 1.76 H new ATOM 426 N ALA A 341 -6.217 -0.299 1.003 1.00 0.52 N ATOM 427 CA ALA A 341 -6.574 1.109 1.082 1.00 0.69 C ATOM 428 C ALA A 341 -7.077 1.644 -0.252 1.00 0.70 C ATOM 429 O ALA A 341 -8.037 2.416 -0.291 1.00 0.88 O ATOM 430 CB ALA A 341 -5.384 1.925 1.563 1.00 0.82 C ATOM 0 H ALA A 341 -5.213 -0.477 1.040 1.00 0.52 H new ATOM 0 HA ALA A 341 -7.389 1.203 1.800 1.00 0.69 H new ATOM 0 HB1 ALA A 341 -5.663 2.977 1.618 1.00 0.82 H new ATOM 0 HB2 ALA A 341 -5.080 1.578 2.551 1.00 0.82 H new ATOM 0 HB3 ALA A 341 -4.555 1.806 0.865 1.00 0.82 H new ATOM 436 N SER A 342 -6.433 1.239 -1.345 1.00 0.64 N ATOM 437 CA SER A 342 -6.754 1.781 -2.658 1.00 0.84 C ATOM 438 C SER A 342 -8.121 1.290 -3.146 1.00 0.86 C ATOM 439 O SER A 342 -8.845 2.018 -3.826 1.00 1.04 O ATOM 440 CB SER A 342 -5.671 1.427 -3.678 1.00 1.02 C ATOM 441 OG SER A 342 -5.463 0.028 -3.741 1.00 1.61 O ATOM 0 H SER A 342 -5.690 0.541 -1.345 1.00 0.64 H new ATOM 0 HA SER A 342 -6.797 2.866 -2.560 1.00 0.84 H new ATOM 0 HB2 SER A 342 -5.959 1.799 -4.661 1.00 1.02 H new ATOM 0 HB3 SER A 342 -4.739 1.924 -3.409 1.00 1.02 H new ATOM 0 HG SER A 342 -4.909 -0.255 -2.984 1.00 1.61 H new ATOM 447 N GLN A 343 -8.458 0.047 -2.799 1.00 0.77 N ATOM 448 CA GLN A 343 -9.755 -0.529 -3.156 1.00 0.94 C ATOM 449 C GLN A 343 -10.877 0.072 -2.316 1.00 1.02 C ATOM 450 O GLN A 343 -12.055 -0.080 -2.636 1.00 1.20 O ATOM 451 CB GLN A 343 -9.748 -2.049 -2.977 1.00 1.05 C ATOM 452 CG GLN A 343 -9.047 -2.810 -4.090 1.00 1.73 C ATOM 453 CD GLN A 343 -9.772 -2.707 -5.418 1.00 2.21 C ATOM 454 OE1 GLN A 343 -10.665 -3.503 -5.715 1.00 2.89 O ATOM 455 NE2 GLN A 343 -9.374 -1.751 -6.237 1.00 2.59 N ATOM 0 H GLN A 343 -7.851 -0.580 -2.271 1.00 0.77 H new ATOM 0 HA GLN A 343 -9.934 -0.293 -4.205 1.00 0.94 H new ATOM 0 HB2 GLN A 343 -9.265 -2.289 -2.030 1.00 1.05 H new ATOM 0 HB3 GLN A 343 -10.778 -2.399 -2.907 1.00 1.05 H new ATOM 0 HG2 GLN A 343 -8.033 -2.426 -4.204 1.00 1.73 H new ATOM 0 HG3 GLN A 343 -8.961 -3.859 -3.808 1.00 1.73 H new ATOM 0 HE21 GLN A 343 -8.631 -1.112 -5.953 1.00 2.59 H new ATOM 0 HE22 GLN A 343 -9.809 -1.651 -7.154 1.00 2.59 H new ATOM 464 N GLN A 344 -10.485 0.743 -1.233 1.00 1.01 N ATOM 465 CA GLN A 344 -11.422 1.343 -0.285 1.00 1.26 C ATOM 466 C GLN A 344 -12.218 0.269 0.442 1.00 1.63 C ATOM 467 O GLN A 344 -13.431 0.379 0.602 1.00 2.07 O ATOM 468 CB GLN A 344 -12.376 2.329 -0.972 1.00 1.72 C ATOM 469 CG GLN A 344 -11.684 3.544 -1.568 1.00 1.96 C ATOM 470 CD GLN A 344 -12.667 4.540 -2.149 1.00 2.53 C ATOM 471 OE1 GLN A 344 -13.791 4.047 -2.642 1.00 3.07 O flip ATOM 472 NE2 GLN A 344 -12.418 5.745 -2.156 1.00 3.10 N flip ATOM 0 H GLN A 344 -9.505 0.886 -0.988 1.00 1.01 H new ATOM 0 HA GLN A 344 -10.830 1.899 0.442 1.00 1.26 H new ATOM 0 HB2 GLN A 344 -12.915 1.807 -1.762 1.00 1.72 H new ATOM 0 HB3 GLN A 344 -13.118 2.665 -0.248 1.00 1.72 H new ATOM 0 HG2 GLN A 344 -11.087 4.033 -0.798 1.00 1.96 H new ATOM 0 HG3 GLN A 344 -10.995 3.220 -2.348 1.00 1.96 H new ATOM 0 HE21 GLN A 344 -11.540 6.087 -1.766 1.00 3.10 H new ATOM 0 HE22 GLN A 344 -13.090 6.402 -2.552 1.00 3.10 H new ATOM 481 N ASN A 345 -11.516 -0.754 0.917 1.00 2.06 N ATOM 482 CA ASN A 345 -12.147 -1.866 1.609 1.00 2.81 C ATOM 483 C ASN A 345 -12.755 -1.386 2.919 1.00 3.10 C ATOM 484 O ASN A 345 -13.751 -1.926 3.398 1.00 3.64 O ATOM 485 CB ASN A 345 -11.104 -2.954 1.861 1.00 3.55 C ATOM 486 CG ASN A 345 -11.569 -4.024 2.836 1.00 4.38 C ATOM 487 OD1 ASN A 345 -12.175 -5.020 2.441 1.00 4.89 O ATOM 488 ND2 ASN A 345 -11.269 -3.842 4.116 1.00 4.81 N ATOM 0 H ASN A 345 -10.503 -0.834 0.833 1.00 2.06 H new ATOM 0 HA ASN A 345 -12.948 -2.277 0.995 1.00 2.81 H new ATOM 0 HB2 ASN A 345 -10.845 -3.425 0.913 1.00 3.55 H new ATOM 0 HB3 ASN A 345 -10.195 -2.493 2.246 1.00 3.55 H new ATOM 0 HD21 ASN A 345 -11.542 -4.540 4.808 1.00 4.81 H new ATOM 0 HD22 ASN A 345 -10.766 -3.004 4.408 1.00 4.81 H new ATOM 495 N GLN A 346 -12.163 -0.329 3.459 1.00 3.07 N ATOM 496 CA GLN A 346 -12.596 0.240 4.728 1.00 3.79 C ATOM 497 C GLN A 346 -13.999 0.828 4.596 1.00 3.92 C ATOM 498 O GLN A 346 -14.765 0.866 5.558 1.00 4.60 O ATOM 499 CB GLN A 346 -11.613 1.327 5.183 1.00 4.24 C ATOM 500 CG GLN A 346 -10.154 0.893 5.144 1.00 4.90 C ATOM 501 CD GLN A 346 -9.895 -0.384 5.920 1.00 5.50 C ATOM 502 OE1 GLN A 346 -9.979 -1.483 5.369 1.00 6.02 O ATOM 503 NE2 GLN A 346 -9.574 -0.250 7.197 1.00 5.81 N ATOM 0 H GLN A 346 -11.373 0.156 3.032 1.00 3.07 H new ATOM 0 HA GLN A 346 -12.617 -0.554 5.475 1.00 3.79 H new ATOM 0 HB2 GLN A 346 -11.738 2.205 4.549 1.00 4.24 H new ATOM 0 HB3 GLN A 346 -11.865 1.629 6.199 1.00 4.24 H new ATOM 0 HG2 GLN A 346 -9.851 0.749 4.107 1.00 4.90 H new ATOM 0 HG3 GLN A 346 -9.532 1.691 5.550 1.00 4.90 H new ATOM 0 HE21 GLN A 346 -9.516 0.679 7.613 1.00 5.81 H new ATOM 0 HE22 GLN A 346 -9.385 -1.076 7.765 1.00 5.81 H new ATOM 512 N SER A 347 -14.336 1.266 3.391 1.00 3.53 N ATOM 513 CA SER A 347 -15.641 1.850 3.128 1.00 4.14 C ATOM 514 C SER A 347 -16.535 0.864 2.378 1.00 4.67 C ATOM 515 O SER A 347 -17.571 1.241 1.832 1.00 5.05 O ATOM 516 CB SER A 347 -15.482 3.143 2.331 1.00 4.47 C ATOM 517 OG SER A 347 -14.694 4.077 3.051 1.00 4.68 O ATOM 0 H SER A 347 -13.721 1.227 2.579 1.00 3.53 H new ATOM 0 HA SER A 347 -16.118 2.080 4.081 1.00 4.14 H new ATOM 0 HB2 SER A 347 -15.015 2.929 1.369 1.00 4.47 H new ATOM 0 HB3 SER A 347 -16.462 3.571 2.121 1.00 4.47 H new ATOM 0 HG SER A 347 -14.600 4.899 2.526 1.00 4.68 H new ATOM 523 N GLY A 348 -16.130 -0.404 2.378 1.00 5.14 N ATOM 524 CA GLY A 348 -16.911 -1.446 1.734 1.00 6.09 C ATOM 525 C GLY A 348 -18.290 -1.615 2.352 1.00 6.66 C ATOM 526 O GLY A 348 -19.292 -1.562 1.641 1.00 7.18 O ATOM 0 H GLY A 348 -15.268 -0.729 2.816 1.00 5.14 H new ATOM 0 HA2 GLY A 348 -17.019 -1.211 0.675 1.00 6.09 H new ATOM 0 HA3 GLY A 348 -16.371 -2.391 1.798 1.00 6.09 H new ATOM 530 N PRO A 349 -18.383 -1.815 3.684 1.00 6.87 N ATOM 531 CA PRO A 349 -19.672 -1.959 4.371 1.00 7.59 C ATOM 532 C PRO A 349 -20.403 -0.630 4.554 1.00 7.24 C ATOM 533 O PRO A 349 -21.448 -0.574 5.198 1.00 6.93 O ATOM 534 CB PRO A 349 -19.279 -2.533 5.733 1.00 8.09 C ATOM 535 CG PRO A 349 -17.909 -2.010 5.974 1.00 7.65 C ATOM 536 CD PRO A 349 -17.249 -1.955 4.625 1.00 6.81 C ATOM 0 HA PRO A 349 -20.362 -2.582 3.801 1.00 7.59 H new ATOM 0 HB2 PRO A 349 -19.969 -2.213 6.513 1.00 8.09 H new ATOM 0 HB3 PRO A 349 -19.292 -3.623 5.724 1.00 8.09 H new ATOM 0 HG2 PRO A 349 -17.943 -1.022 6.433 1.00 7.65 H new ATOM 0 HG3 PRO A 349 -17.357 -2.659 6.654 1.00 7.65 H new ATOM 0 HD2 PRO A 349 -16.561 -1.113 4.550 1.00 6.81 H new ATOM 0 HD3 PRO A 349 -16.672 -2.858 4.425 1.00 6.81 H new ATOM 544 N SER A 350 -19.854 0.438 3.987 1.00 7.62 N ATOM 545 CA SER A 350 -20.457 1.756 4.112 1.00 7.69 C ATOM 546 C SER A 350 -21.681 1.872 3.214 1.00 8.06 C ATOM 547 O SER A 350 -22.555 2.710 3.438 1.00 8.21 O ATOM 548 CB SER A 350 -19.442 2.846 3.760 1.00 8.35 C ATOM 549 OG SER A 350 -20.011 4.142 3.877 1.00 8.86 O ATOM 0 H SER A 350 -18.995 0.416 3.438 1.00 7.62 H new ATOM 0 HA SER A 350 -20.770 1.890 5.147 1.00 7.69 H new ATOM 0 HB2 SER A 350 -18.577 2.766 4.419 1.00 8.35 H new ATOM 0 HB3 SER A 350 -19.083 2.695 2.742 1.00 8.35 H new ATOM 0 HG SER A 350 -19.338 4.817 3.647 1.00 8.86 H new ATOM 555 N GLY A 351 -21.742 1.023 2.202 1.00 8.46 N ATOM 556 CA GLY A 351 -22.852 1.050 1.286 1.00 9.04 C ATOM 557 C GLY A 351 -22.996 -0.260 0.550 1.00 9.55 C ATOM 558 O GLY A 351 -22.548 -1.295 1.037 1.00 10.03 O ATOM 0 H GLY A 351 -21.037 0.314 2.001 1.00 8.46 H new ATOM 0 HA2 GLY A 351 -23.771 1.264 1.832 1.00 9.04 H new ATOM 0 HA3 GLY A 351 -22.713 1.858 0.568 1.00 9.04 H new ATOM 562 N ASN A 352 -23.606 -0.219 -0.618 1.00 9.68 N ATOM 563 CA ASN A 352 -23.795 -1.419 -1.411 1.00 10.39 C ATOM 564 C ASN A 352 -22.836 -1.422 -2.589 1.00 10.64 C ATOM 565 O ASN A 352 -22.753 -0.436 -3.327 1.00 11.07 O ATOM 566 CB ASN A 352 -25.240 -1.511 -1.907 1.00 10.83 C ATOM 567 CG ASN A 352 -25.484 -2.736 -2.767 1.00 10.91 C ATOM 568 OD1 ASN A 352 -25.784 -3.814 -2.254 1.00 11.08 O ATOM 569 ND2 ASN A 352 -25.385 -2.576 -4.079 1.00 11.02 N ATOM 0 H ASN A 352 -23.979 0.632 -1.039 1.00 9.68 H new ATOM 0 HA ASN A 352 -23.588 -2.286 -0.784 1.00 10.39 H new ATOM 0 HB2 ASN A 352 -25.914 -1.533 -1.050 1.00 10.83 H new ATOM 0 HB3 ASN A 352 -25.481 -0.616 -2.480 1.00 10.83 H new ATOM 0 HD21 ASN A 352 -25.560 -3.363 -4.703 1.00 11.02 H new ATOM 0 HD22 ASN A 352 -25.134 -1.666 -4.464 1.00 11.02 H new ATOM 576 N ASN A 353 -22.100 -2.515 -2.749 1.00 10.57 N ATOM 577 CA ASN A 353 -21.213 -2.675 -3.889 1.00 11.04 C ATOM 578 C ASN A 353 -22.030 -2.638 -5.176 1.00 11.52 C ATOM 579 O ASN A 353 -22.769 -3.571 -5.483 1.00 11.95 O ATOM 580 CB ASN A 353 -20.435 -3.984 -3.773 1.00 11.31 C ATOM 581 CG ASN A 353 -19.454 -4.174 -4.909 1.00 11.74 C ATOM 582 OD1 ASN A 353 -19.878 -4.880 -5.939 1.00 11.95 O flip ATOM 583 ND2 ASN A 353 -18.323 -3.696 -4.856 1.00 12.07 N flip ATOM 0 H ASN A 353 -22.102 -3.303 -2.102 1.00 10.57 H new ATOM 0 HA ASN A 353 -20.493 -1.857 -3.908 1.00 11.04 H new ATOM 0 HB2 ASN A 353 -19.897 -4.001 -2.825 1.00 11.31 H new ATOM 0 HB3 ASN A 353 -21.135 -4.819 -3.757 1.00 11.31 H new ATOM 0 HD21 ASN A 353 -18.035 -3.156 -4.040 1.00 12.07 H new ATOM 0 HD22 ASN A 353 -17.672 -3.839 -5.628 1.00 12.07 H new ATOM 590 N GLN A 354 -21.876 -1.557 -5.928 1.00 11.62 N ATOM 591 CA GLN A 354 -22.783 -1.232 -7.025 1.00 12.24 C ATOM 592 C GLN A 354 -22.388 -1.892 -8.348 1.00 12.69 C ATOM 593 O GLN A 354 -22.640 -1.338 -9.420 1.00 12.83 O ATOM 594 CB GLN A 354 -22.882 0.293 -7.208 1.00 12.40 C ATOM 595 CG GLN A 354 -21.556 0.989 -7.508 1.00 12.50 C ATOM 596 CD GLN A 354 -20.632 1.087 -6.303 1.00 12.74 C ATOM 597 OE1 GLN A 354 -19.784 0.218 -6.074 1.00 13.09 O ATOM 598 NE2 GLN A 354 -20.799 2.136 -5.517 1.00 12.76 N ATOM 0 H GLN A 354 -21.123 -0.882 -5.797 1.00 11.62 H new ATOM 0 HA GLN A 354 -23.757 -1.635 -6.748 1.00 12.24 H new ATOM 0 HB2 GLN A 354 -23.578 0.503 -8.020 1.00 12.40 H new ATOM 0 HB3 GLN A 354 -23.307 0.727 -6.303 1.00 12.40 H new ATOM 0 HG2 GLN A 354 -21.044 0.449 -8.305 1.00 12.50 H new ATOM 0 HG3 GLN A 354 -21.759 1.992 -7.882 1.00 12.50 H new ATOM 0 HE21 GLN A 354 -21.510 2.832 -5.740 1.00 12.76 H new ATOM 0 HE22 GLN A 354 -20.217 2.249 -4.687 1.00 12.76 H new ATOM 607 N ASN A 355 -21.780 -3.069 -8.275 1.00 13.09 N ATOM 608 CA ASN A 355 -21.479 -3.854 -9.468 1.00 13.71 C ATOM 609 C ASN A 355 -20.873 -5.195 -9.084 1.00 14.13 C ATOM 610 O ASN A 355 -19.734 -5.253 -8.620 1.00 14.46 O ATOM 611 CB ASN A 355 -20.525 -3.117 -10.410 1.00 14.16 C ATOM 612 CG ASN A 355 -20.545 -3.707 -11.807 1.00 14.18 C ATOM 613 OD1 ASN A 355 -21.566 -4.224 -12.259 1.00 14.03 O ATOM 614 ND2 ASN A 355 -19.422 -3.631 -12.499 1.00 14.53 N ATOM 0 H ASN A 355 -21.484 -3.503 -7.401 1.00 13.09 H new ATOM 0 HA ASN A 355 -22.421 -4.013 -9.993 1.00 13.71 H new ATOM 0 HB2 ASN A 355 -20.802 -2.064 -10.456 1.00 14.16 H new ATOM 0 HB3 ASN A 355 -19.512 -3.163 -10.010 1.00 14.16 H new ATOM 0 HD21 ASN A 355 -19.379 -4.009 -13.445 1.00 14.53 H new ATOM 0 HD22 ASN A 355 -18.598 -3.194 -12.087 1.00 14.53 H new ATOM 621 N GLN A 356 -21.656 -6.256 -9.270 1.00 14.28 N ATOM 622 CA GLN A 356 -21.232 -7.621 -8.960 1.00 14.82 C ATOM 623 C GLN A 356 -21.086 -7.804 -7.445 1.00 15.14 C ATOM 624 O GLN A 356 -20.158 -8.456 -6.962 1.00 15.47 O ATOM 625 CB GLN A 356 -19.918 -7.948 -9.687 1.00 15.22 C ATOM 626 CG GLN A 356 -19.584 -9.429 -9.745 1.00 15.23 C ATOM 627 CD GLN A 356 -18.250 -9.681 -10.413 1.00 15.68 C ATOM 628 OE1 GLN A 356 -17.816 -8.913 -11.272 1.00 15.74 O ATOM 629 NE2 GLN A 356 -17.591 -10.758 -10.028 1.00 16.15 N ATOM 0 H GLN A 356 -22.604 -6.194 -9.641 1.00 14.28 H new ATOM 0 HA GLN A 356 -21.995 -8.316 -9.311 1.00 14.82 H new ATOM 0 HB2 GLN A 356 -19.974 -7.561 -10.704 1.00 15.22 H new ATOM 0 HB3 GLN A 356 -19.102 -7.423 -9.190 1.00 15.22 H new ATOM 0 HG2 GLN A 356 -19.567 -9.837 -8.734 1.00 15.23 H new ATOM 0 HG3 GLN A 356 -20.368 -9.957 -10.289 1.00 15.23 H new ATOM 0 HE21 GLN A 356 -17.986 -11.369 -9.313 1.00 16.15 H new ATOM 0 HE22 GLN A 356 -16.687 -10.979 -10.446 1.00 16.15 H new ATOM 638 N GLY A 357 -22.009 -7.210 -6.693 1.00 15.18 N ATOM 639 CA GLY A 357 -21.981 -7.332 -5.247 1.00 15.65 C ATOM 640 C GLY A 357 -23.354 -7.162 -4.630 1.00 15.86 C ATOM 641 O GLY A 357 -23.491 -6.616 -3.536 1.00 15.64 O ATOM 0 H GLY A 357 -22.776 -6.646 -7.060 1.00 15.18 H new ATOM 0 HA2 GLY A 357 -21.581 -8.309 -4.975 1.00 15.65 H new ATOM 0 HA3 GLY A 357 -21.304 -6.584 -4.834 1.00 15.65 H new ATOM 645 N ASN A 358 -24.371 -7.638 -5.327 1.00 16.44 N ATOM 646 CA ASN A 358 -25.749 -7.516 -4.869 1.00 16.86 C ATOM 647 C ASN A 358 -26.570 -8.668 -5.433 1.00 17.18 C ATOM 648 O ASN A 358 -26.126 -9.355 -6.353 1.00 17.48 O ATOM 649 CB ASN A 358 -26.323 -6.158 -5.309 1.00 17.22 C ATOM 650 CG ASN A 358 -27.692 -5.861 -4.722 1.00 17.53 C ATOM 651 OD1 ASN A 358 -28.718 -6.160 -5.328 1.00 17.56 O ATOM 652 ND2 ASN A 358 -27.720 -5.258 -3.546 1.00 17.90 N ATOM 0 H ASN A 358 -24.269 -8.118 -6.221 1.00 16.44 H new ATOM 0 HA ASN A 358 -25.787 -7.564 -3.781 1.00 16.86 H new ATOM 0 HB2 ASN A 358 -25.632 -5.368 -5.016 1.00 17.22 H new ATOM 0 HB3 ASN A 358 -26.390 -6.136 -6.397 1.00 17.22 H new ATOM 0 HD21 ASN A 358 -28.614 -5.026 -3.113 1.00 17.90 H new ATOM 0 HD22 ASN A 358 -26.848 -5.025 -3.072 1.00 17.90 H new ATOM 659 N MET A 359 -27.751 -8.893 -4.876 1.00 17.25 N ATOM 660 CA MET A 359 -28.605 -9.996 -5.299 1.00 17.69 C ATOM 661 C MET A 359 -29.632 -9.524 -6.329 1.00 18.15 C ATOM 662 O MET A 359 -30.738 -10.065 -6.414 1.00 18.48 O ATOM 663 CB MET A 359 -29.318 -10.618 -4.089 1.00 17.88 C ATOM 664 CG MET A 359 -30.322 -9.698 -3.404 1.00 17.66 C ATOM 665 SD MET A 359 -29.560 -8.266 -2.612 1.00 17.52 S ATOM 666 CE MET A 359 -31.006 -7.442 -1.954 1.00 17.09 C ATOM 0 H MET A 359 -28.142 -8.323 -4.126 1.00 17.25 H new ATOM 0 HA MET A 359 -27.974 -10.754 -5.763 1.00 17.69 H new ATOM 0 HB2 MET A 359 -29.835 -11.521 -4.413 1.00 17.88 H new ATOM 0 HB3 MET A 359 -28.568 -10.924 -3.359 1.00 17.88 H new ATOM 0 HG2 MET A 359 -31.048 -9.353 -4.140 1.00 17.66 H new ATOM 0 HG3 MET A 359 -30.873 -10.267 -2.655 1.00 17.66 H new ATOM 0 HE1 MET A 359 -30.702 -6.534 -1.433 1.00 17.09 H new ATOM 0 HE2 MET A 359 -31.680 -7.183 -2.770 1.00 17.09 H new ATOM 0 HE3 MET A 359 -31.518 -8.106 -1.258 1.00 17.09 H new ATOM 676 N GLN A 360 -29.264 -8.508 -7.099 1.00 18.31 N ATOM 677 CA GLN A 360 -30.142 -7.959 -8.123 1.00 18.89 C ATOM 678 C GLN A 360 -29.313 -7.260 -9.200 1.00 19.30 C ATOM 679 O GLN A 360 -29.144 -6.023 -9.120 1.00 19.39 O ATOM 680 CB GLN A 360 -31.130 -6.970 -7.496 1.00 19.26 C ATOM 681 CG GLN A 360 -32.252 -6.546 -8.430 1.00 19.39 C ATOM 682 CD GLN A 360 -33.274 -7.642 -8.648 1.00 19.60 C ATOM 683 OE1 GLN A 360 -33.138 -8.470 -9.548 1.00 19.85 O ATOM 684 NE2 GLN A 360 -34.312 -7.650 -7.830 1.00 19.63 N ATOM 685 OXT GLN A 360 -28.809 -7.953 -10.107 1.00 19.65 O ATOM 0 H GLN A 360 -28.357 -8.045 -7.032 1.00 18.31 H new ATOM 0 HA GLN A 360 -30.704 -8.774 -8.580 1.00 18.89 H new ATOM 0 HB2 GLN A 360 -31.564 -7.421 -6.604 1.00 19.26 H new ATOM 0 HB3 GLN A 360 -30.585 -6.083 -7.172 1.00 19.26 H new ATOM 0 HG2 GLN A 360 -32.749 -5.667 -8.019 1.00 19.39 H new ATOM 0 HG3 GLN A 360 -31.829 -6.253 -9.391 1.00 19.39 H new ATOM 0 HE21 GLN A 360 -34.388 -6.946 -7.096 1.00 19.63 H new ATOM 0 HE22 GLN A 360 -35.037 -8.360 -7.933 1.00 19.63 H new TER 694 GLN A 360