USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=8 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 Single : A 311 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 312 ASN : amide:sc= -0.0175 K(o=-0.017,f=-1.1!) USER MOD Single : A 317 SER OG : rot 180:sc= -0.0496 USER MOD Single : A 319 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 322 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 323 MET CE :methyl -160:sc= -0.155 (180deg=-0.617) USER MOD Single : A 327 GLN :FLIP amide:sc= -0.973 F(o=-5.4!,f=-0.97) USER MOD Single : A 331 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.15) USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 333 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 336 MET CE :methyl 180:sc= 0 (180deg=0) 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 USER MOD Single : A 344 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 346 GLN : amide:sc= -1.42 K(o=-1.4,f=-6.3!) USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc=0.000855 USER MOD Single : A 352 ASN : amide:sc= -0.0257 K(o=-0.026,f=-1.2!) USER MOD Single : A 353 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 354 GLN : amide:sc= 0.998 K(o=1,f=-4.6!) USER MOD Single : A 355 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 356 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 358 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 359 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 360 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 -25.321 -13.276 -13.714 1.00 15.10 N ATOM 2 CA MET A 311 -25.225 -12.217 -14.744 1.00 14.91 C ATOM 3 C MET A 311 -26.081 -11.016 -14.362 1.00 14.01 C ATOM 4 O MET A 311 -27.306 -11.124 -14.269 1.00 13.92 O ATOM 5 CB MET A 311 -25.661 -12.752 -16.108 1.00 15.49 C ATOM 6 CG MET A 311 -24.744 -13.824 -16.678 1.00 16.12 C ATOM 7 SD MET A 311 -23.040 -13.263 -16.839 1.00 16.98 S ATOM 8 CE MET A 311 -22.297 -14.697 -17.616 1.00 17.92 C ATOM 0 HA MET A 311 -24.184 -11.901 -14.806 1.00 14.91 H new ATOM 0 HB2 MET A 311 -26.668 -13.160 -16.021 1.00 15.49 H new ATOM 0 HB3 MET A 311 -25.713 -11.922 -16.812 1.00 15.49 H new ATOM 0 HG2 MET A 311 -24.774 -14.703 -16.034 1.00 16.12 H new ATOM 0 HG3 MET A 311 -25.115 -14.132 -17.655 1.00 16.12 H new ATOM 0 HE1 MET A 311 -21.236 -14.511 -17.785 1.00 17.92 H new ATOM 0 HE2 MET A 311 -22.414 -15.564 -16.966 1.00 17.92 H new ATOM 0 HE3 MET A 311 -22.788 -14.889 -18.570 1.00 17.92 H new ATOM 20 N ASN A 312 -25.420 -9.877 -14.136 1.00 13.49 N ATOM 21 CA ASN A 312 -26.100 -8.625 -13.785 1.00 12.74 C ATOM 22 C ASN A 312 -27.071 -8.813 -12.621 1.00 12.32 C ATOM 23 O ASN A 312 -28.188 -8.295 -12.639 1.00 12.29 O ATOM 24 CB ASN A 312 -26.841 -8.054 -14.999 1.00 12.63 C ATOM 25 CG ASN A 312 -25.908 -7.427 -16.020 1.00 12.56 C ATOM 26 OD1 ASN A 312 -24.853 -6.896 -15.669 1.00 12.43 O ATOM 27 ND2 ASN A 312 -26.282 -7.491 -17.289 1.00 12.87 N ATOM 0 H ASN A 312 -24.405 -9.796 -14.190 1.00 13.49 H new ATOM 0 HA ASN A 312 -25.332 -7.918 -13.470 1.00 12.74 H new ATOM 0 HB2 ASN A 312 -27.412 -8.850 -15.477 1.00 12.63 H new ATOM 0 HB3 ASN A 312 -27.558 -7.305 -14.662 1.00 12.63 H new ATOM 0 HD21 ASN A 312 -25.689 -7.092 -18.016 1.00 12.87 H new ATOM 0 HD22 ASN A 312 -27.163 -7.939 -17.539 1.00 12.87 H new ATOM 34 N PHE A 313 -26.634 -9.550 -11.611 1.00 12.16 N ATOM 35 CA PHE A 313 -27.470 -9.834 -10.458 1.00 11.96 C ATOM 36 C PHE A 313 -27.584 -8.599 -9.576 1.00 11.11 C ATOM 37 O PHE A 313 -26.591 -8.109 -9.033 1.00 11.29 O ATOM 38 CB PHE A 313 -26.908 -11.012 -9.659 1.00 12.55 C ATOM 39 CG PHE A 313 -27.769 -11.413 -8.496 1.00 13.17 C ATOM 40 CD1 PHE A 313 -28.886 -12.207 -8.687 1.00 13.49 C ATOM 41 CD2 PHE A 313 -27.453 -11.002 -7.213 1.00 13.57 C ATOM 42 CE1 PHE A 313 -29.677 -12.582 -7.620 1.00 14.21 C ATOM 43 CE2 PHE A 313 -28.241 -11.372 -6.139 1.00 14.27 C ATOM 44 CZ PHE A 313 -29.371 -12.145 -6.348 1.00 14.59 C ATOM 0 H PHE A 313 -25.702 -9.963 -11.568 1.00 12.16 H new ATOM 0 HA PHE A 313 -28.465 -10.106 -10.811 1.00 11.96 H new ATOM 0 HB2 PHE A 313 -26.788 -11.867 -10.324 1.00 12.55 H new ATOM 0 HB3 PHE A 313 -25.915 -10.751 -9.293 1.00 12.55 H new ATOM 0 HD1 PHE A 313 -29.142 -12.537 -9.683 1.00 13.49 H new ATOM 0 HD2 PHE A 313 -26.581 -10.386 -7.049 1.00 13.57 H new ATOM 0 HE1 PHE A 313 -30.535 -13.217 -7.781 1.00 14.21 H new ATOM 0 HE2 PHE A 313 -27.976 -11.059 -5.140 1.00 14.27 H new ATOM 0 HZ PHE A 313 -30.011 -12.405 -5.518 1.00 14.59 H new ATOM 54 N GLY A 314 -28.801 -8.091 -9.448 1.00 10.31 N ATOM 55 CA GLY A 314 -29.035 -6.915 -8.643 1.00 9.52 C ATOM 56 C GLY A 314 -28.756 -5.637 -9.400 1.00 8.89 C ATOM 57 O GLY A 314 -28.607 -4.573 -8.800 1.00 8.22 O ATOM 0 H GLY A 314 -29.634 -8.477 -9.892 1.00 10.31 H new ATOM 0 HA2 GLY A 314 -30.069 -6.913 -8.299 1.00 9.52 H new ATOM 0 HA3 GLY A 314 -28.404 -6.954 -7.755 1.00 9.52 H new ATOM 61 N ALA A 315 -28.680 -5.739 -10.723 1.00 9.30 N ATOM 62 CA ALA A 315 -28.410 -4.579 -11.566 1.00 9.10 C ATOM 63 C ALA A 315 -29.557 -3.575 -11.515 1.00 8.51 C ATOM 64 O ALA A 315 -29.348 -2.368 -11.644 1.00 8.20 O ATOM 65 CB ALA A 315 -28.166 -5.019 -12.997 1.00 10.04 C ATOM 0 H ALA A 315 -28.802 -6.613 -11.235 1.00 9.30 H new ATOM 0 HA ALA A 315 -27.516 -4.087 -11.183 1.00 9.10 H new ATOM 0 HB1 ALA A 315 -27.966 -4.145 -13.617 1.00 10.04 H new ATOM 0 HB2 ALA A 315 -27.309 -5.692 -13.030 1.00 10.04 H new ATOM 0 HB3 ALA A 315 -29.048 -5.537 -13.374 1.00 10.04 H new ATOM 71 N PHE A 316 -30.766 -4.085 -11.326 1.00 8.63 N ATOM 72 CA PHE A 316 -31.956 -3.242 -11.264 1.00 8.47 C ATOM 73 C PHE A 316 -32.290 -2.886 -9.819 1.00 7.73 C ATOM 74 O PHE A 316 -33.264 -2.182 -9.547 1.00 7.72 O ATOM 75 CB PHE A 316 -33.144 -3.957 -11.910 1.00 9.29 C ATOM 76 CG PHE A 316 -32.929 -4.296 -13.360 1.00 10.04 C ATOM 77 CD1 PHE A 316 -33.145 -3.346 -14.347 1.00 10.61 C ATOM 78 CD2 PHE A 316 -32.524 -5.568 -13.736 1.00 10.37 C ATOM 79 CE1 PHE A 316 -32.956 -3.657 -15.681 1.00 11.44 C ATOM 80 CE2 PHE A 316 -32.332 -5.884 -15.067 1.00 11.22 C ATOM 81 CZ PHE A 316 -32.512 -4.916 -16.038 1.00 11.73 C ATOM 0 H PHE A 316 -30.951 -5.082 -11.212 1.00 8.63 H new ATOM 0 HA PHE A 316 -31.751 -2.322 -11.811 1.00 8.47 H new ATOM 0 HB2 PHE A 316 -33.349 -4.874 -11.358 1.00 9.29 H new ATOM 0 HB3 PHE A 316 -34.029 -3.327 -11.820 1.00 9.29 H new ATOM 0 HD1 PHE A 316 -33.464 -2.352 -14.071 1.00 10.61 H new ATOM 0 HD2 PHE A 316 -32.357 -6.320 -12.979 1.00 10.37 H new ATOM 0 HE1 PHE A 316 -33.155 -2.917 -16.442 1.00 11.44 H new ATOM 0 HE2 PHE A 316 -32.042 -6.885 -15.349 1.00 11.22 H new ATOM 0 HZ PHE A 316 -32.306 -5.144 -17.073 1.00 11.73 H new ATOM 91 N SER A 317 -31.470 -3.371 -8.899 1.00 7.38 N ATOM 92 CA SER A 317 -31.693 -3.151 -7.479 1.00 6.88 C ATOM 93 C SER A 317 -30.991 -1.877 -7.022 1.00 6.15 C ATOM 94 O SER A 317 -30.142 -1.336 -7.733 1.00 6.12 O ATOM 95 CB SER A 317 -31.182 -4.359 -6.689 1.00 7.20 C ATOM 96 OG SER A 317 -31.808 -5.557 -7.129 1.00 8.01 O ATOM 0 H SER A 317 -30.639 -3.923 -9.113 1.00 7.38 H new ATOM 0 HA SER A 317 -32.761 -3.033 -7.298 1.00 6.88 H new ATOM 0 HB2 SER A 317 -30.102 -4.444 -6.807 1.00 7.20 H new ATOM 0 HB3 SER A 317 -31.376 -4.212 -5.627 1.00 7.20 H new ATOM 0 HG SER A 317 -31.464 -6.315 -6.611 1.00 8.01 H new ATOM 102 N ILE A 318 -31.359 -1.401 -5.840 1.00 5.89 N ATOM 103 CA ILE A 318 -30.762 -0.195 -5.275 1.00 5.46 C ATOM 104 C ILE A 318 -29.303 -0.453 -4.912 1.00 5.05 C ATOM 105 O ILE A 318 -28.974 -1.497 -4.354 1.00 5.20 O ATOM 106 CB ILE A 318 -31.529 0.284 -4.018 1.00 5.77 C ATOM 107 CG1 ILE A 318 -32.995 0.552 -4.359 1.00 6.39 C ATOM 108 CG2 ILE A 318 -30.883 1.535 -3.428 1.00 5.87 C ATOM 109 CD1 ILE A 318 -33.189 1.628 -5.403 1.00 6.93 C ATOM 0 H ILE A 318 -32.071 -1.833 -5.251 1.00 5.89 H new ATOM 0 HA ILE A 318 -30.821 0.588 -6.031 1.00 5.46 H new ATOM 0 HB ILE A 318 -31.482 -0.507 -3.270 1.00 5.77 H new ATOM 0 HG12 ILE A 318 -33.451 -0.372 -4.713 1.00 6.39 H new ATOM 0 HG13 ILE A 318 -33.523 0.840 -3.450 1.00 6.39 H new ATOM 0 HG21 ILE A 318 -31.441 1.851 -2.546 1.00 5.87 H new ATOM 0 HG22 ILE A 318 -29.853 1.315 -3.146 1.00 5.87 H new ATOM 0 HG23 ILE A 318 -30.893 2.334 -4.169 1.00 5.87 H new ATOM 0 HD11 ILE A 318 -34.254 1.763 -5.593 1.00 6.93 H new ATOM 0 HD12 ILE A 318 -32.763 2.565 -5.043 1.00 6.93 H new ATOM 0 HD13 ILE A 318 -32.690 1.333 -6.326 1.00 6.93 H new ATOM 121 N ASN A 319 -28.444 0.500 -5.245 1.00 4.90 N ATOM 122 CA ASN A 319 -27.004 0.360 -5.043 1.00 4.82 C ATOM 123 C ASN A 319 -26.651 0.210 -3.566 1.00 4.38 C ATOM 124 O ASN A 319 -27.160 0.947 -2.714 1.00 4.39 O ATOM 125 CB ASN A 319 -26.276 1.573 -5.624 1.00 5.38 C ATOM 126 CG ASN A 319 -26.249 1.568 -7.141 1.00 6.06 C ATOM 127 OD1 ASN A 319 -27.186 2.026 -7.795 1.00 6.44 O ATOM 128 ND2 ASN A 319 -25.158 1.080 -7.709 1.00 6.59 N ATOM 0 H ASN A 319 -28.721 1.389 -5.661 1.00 4.90 H new ATOM 0 HA ASN A 319 -26.685 -0.546 -5.558 1.00 4.82 H new ATOM 0 HB2 ASN A 319 -26.762 2.484 -5.276 1.00 5.38 H new ATOM 0 HB3 ASN A 319 -25.254 1.593 -5.246 1.00 5.38 H new ATOM 0 HD21 ASN A 319 -25.071 1.074 -8.725 1.00 6.59 H new ATOM 0 HD22 ASN A 319 -24.404 0.710 -7.131 1.00 6.59 H new ATOM 135 N PRO A 320 -25.781 -0.768 -3.251 1.00 4.41 N ATOM 136 CA PRO A 320 -25.272 -0.989 -1.891 1.00 4.37 C ATOM 137 C PRO A 320 -24.403 0.172 -1.422 1.00 4.34 C ATOM 138 O PRO A 320 -23.920 0.965 -2.235 1.00 4.65 O ATOM 139 CB PRO A 320 -24.437 -2.276 -2.016 1.00 4.92 C ATOM 140 CG PRO A 320 -24.849 -2.891 -3.309 1.00 5.28 C ATOM 141 CD PRO A 320 -25.230 -1.747 -4.198 1.00 4.99 C ATOM 0 HA PRO A 320 -26.075 -1.069 -1.158 1.00 4.37 H new ATOM 0 HB2 PRO A 320 -23.370 -2.054 -2.009 1.00 4.92 H new ATOM 0 HB3 PRO A 320 -24.628 -2.951 -1.182 1.00 4.92 H new ATOM 0 HG2 PRO A 320 -24.035 -3.471 -3.744 1.00 5.28 H new ATOM 0 HG3 PRO A 320 -25.687 -3.574 -3.169 1.00 5.28 H new ATOM 0 HD2 PRO A 320 -24.370 -1.349 -4.736 1.00 4.99 H new ATOM 0 HD3 PRO A 320 -25.965 -2.044 -4.946 1.00 4.99 H new ATOM 149 N ALA A 321 -24.176 0.255 -0.119 1.00 4.38 N ATOM 150 CA ALA A 321 -23.500 1.405 0.462 1.00 4.73 C ATOM 151 C ALA A 321 -22.514 0.965 1.532 1.00 4.87 C ATOM 152 O ALA A 321 -21.406 1.489 1.618 1.00 4.83 O ATOM 153 CB ALA A 321 -24.514 2.380 1.039 1.00 5.47 C ATOM 0 H ALA A 321 -24.450 -0.460 0.555 1.00 4.38 H new ATOM 0 HA ALA A 321 -22.943 1.911 -0.327 1.00 4.73 H new ATOM 0 HB1 ALA A 321 -23.993 3.235 1.470 1.00 5.47 H new ATOM 0 HB2 ALA A 321 -25.180 2.723 0.247 1.00 5.47 H new ATOM 0 HB3 ALA A 321 -25.097 1.882 1.814 1.00 5.47 H new ATOM 159 N MET A 322 -22.913 -0.018 2.329 1.00 5.24 N ATOM 160 CA MET A 322 -22.055 -0.540 3.381 1.00 5.76 C ATOM 161 C MET A 322 -20.867 -1.279 2.773 1.00 5.34 C ATOM 162 O MET A 322 -19.739 -1.185 3.260 1.00 5.57 O ATOM 163 CB MET A 322 -22.857 -1.480 4.283 1.00 6.52 C ATOM 164 CG MET A 322 -22.029 -2.116 5.388 1.00 7.25 C ATOM 165 SD MET A 322 -21.308 -0.888 6.498 1.00 8.01 S ATOM 166 CE MET A 322 -20.262 -1.924 7.519 1.00 8.63 C ATOM 0 H MET A 322 -23.826 -0.469 2.266 1.00 5.24 H new ATOM 0 HA MET A 322 -21.679 0.290 3.978 1.00 5.76 H new ATOM 0 HB2 MET A 322 -23.681 -0.925 4.731 1.00 6.52 H new ATOM 0 HB3 MET A 322 -23.299 -2.267 3.672 1.00 6.52 H new ATOM 0 HG2 MET A 322 -22.656 -2.798 5.962 1.00 7.25 H new ATOM 0 HG3 MET A 322 -21.233 -2.713 4.944 1.00 7.25 H new ATOM 0 HE1 MET A 322 -19.748 -1.307 8.256 1.00 8.63 H new ATOM 0 HE2 MET A 322 -20.874 -2.667 8.031 1.00 8.63 H new ATOM 0 HE3 MET A 322 -19.527 -2.429 6.892 1.00 8.63 H new ATOM 176 N MET A 323 -21.122 -1.989 1.681 1.00 4.92 N ATOM 177 CA MET A 323 -20.060 -2.665 0.944 1.00 4.86 C ATOM 178 C MET A 323 -19.309 -1.658 0.086 1.00 4.19 C ATOM 179 O MET A 323 -18.120 -1.816 -0.195 1.00 4.23 O ATOM 180 CB MET A 323 -20.631 -3.782 0.067 1.00 5.17 C ATOM 181 CG MET A 323 -21.246 -4.929 0.854 1.00 5.75 C ATOM 182 SD MET A 323 -20.054 -5.776 1.912 1.00 6.61 S ATOM 183 CE MET A 323 -18.882 -6.369 0.694 1.00 7.32 C ATOM 0 H MET A 323 -22.054 -2.112 1.286 1.00 4.92 H new ATOM 0 HA MET A 323 -19.371 -3.113 1.660 1.00 4.86 H new ATOM 0 HB2 MET A 323 -21.388 -3.361 -0.594 1.00 5.17 H new ATOM 0 HB3 MET A 323 -19.837 -4.174 -0.568 1.00 5.17 H new ATOM 0 HG2 MET A 323 -22.061 -4.545 1.468 1.00 5.75 H new ATOM 0 HG3 MET A 323 -21.682 -5.647 0.159 1.00 5.75 H new ATOM 0 HE1 MET A 323 -18.300 -7.187 1.118 1.00 7.32 H new ATOM 0 HE2 MET A 323 -19.419 -6.723 -0.186 1.00 7.32 H new ATOM 0 HE3 MET A 323 -18.213 -5.558 0.408 1.00 7.32 H new ATOM 193 N ALA A 324 -20.017 -0.610 -0.305 1.00 3.85 N ATOM 194 CA ALA A 324 -19.445 0.444 -1.125 1.00 3.64 C ATOM 195 C ALA A 324 -18.386 1.217 -0.345 1.00 3.69 C ATOM 196 O ALA A 324 -17.349 1.594 -0.888 1.00 3.64 O ATOM 197 CB ALA A 324 -20.545 1.375 -1.609 1.00 3.87 C ATOM 0 H ALA A 324 -20.998 -0.467 -0.064 1.00 3.85 H new ATOM 0 HA ALA A 324 -18.961 -0.006 -1.992 1.00 3.64 H new ATOM 0 HB1 ALA A 324 -20.110 2.163 -2.223 1.00 3.87 H new ATOM 0 HB2 ALA A 324 -21.266 0.810 -2.200 1.00 3.87 H new ATOM 0 HB3 ALA A 324 -21.049 1.820 -0.751 1.00 3.87 H new ATOM 203 N ALA A 325 -18.663 1.443 0.935 1.00 4.10 N ATOM 204 CA ALA A 325 -17.741 2.146 1.815 1.00 4.50 C ATOM 205 C ALA A 325 -16.431 1.385 1.958 1.00 4.36 C ATOM 206 O ALA A 325 -15.351 1.976 1.920 1.00 4.39 O ATOM 207 CB ALA A 325 -18.382 2.359 3.176 1.00 5.40 C ATOM 0 H ALA A 325 -19.527 1.146 1.388 1.00 4.10 H new ATOM 0 HA ALA A 325 -17.517 3.116 1.372 1.00 4.50 H new ATOM 0 HB1 ALA A 325 -17.685 2.886 3.828 1.00 5.40 H new ATOM 0 HB2 ALA A 325 -19.290 2.951 3.062 1.00 5.40 H new ATOM 0 HB3 ALA A 325 -18.631 1.393 3.616 1.00 5.40 H new ATOM 213 N ALA A 326 -16.535 0.069 2.097 1.00 4.45 N ATOM 214 CA ALA A 326 -15.368 -0.788 2.250 1.00 4.76 C ATOM 215 C ALA A 326 -14.424 -0.648 1.061 1.00 4.25 C ATOM 216 O ALA A 326 -13.214 -0.485 1.230 1.00 4.39 O ATOM 217 CB ALA A 326 -15.798 -2.237 2.423 1.00 5.39 C ATOM 0 H ALA A 326 -17.424 -0.430 2.107 1.00 4.45 H new ATOM 0 HA ALA A 326 -14.829 -0.473 3.144 1.00 4.76 H new ATOM 0 HB1 ALA A 326 -14.916 -2.867 2.536 1.00 5.39 H new ATOM 0 HB2 ALA A 326 -16.425 -2.327 3.310 1.00 5.39 H new ATOM 0 HB3 ALA A 326 -16.362 -2.556 1.547 1.00 5.39 H new ATOM 223 N GLN A 327 -14.986 -0.686 -0.143 1.00 3.89 N ATOM 224 CA GLN A 327 -14.191 -0.595 -1.363 1.00 3.88 C ATOM 225 C GLN A 327 -13.592 0.799 -1.531 1.00 3.54 C ATOM 226 O GLN A 327 -12.512 0.958 -2.098 1.00 3.70 O ATOM 227 CB GLN A 327 -15.047 -0.941 -2.584 1.00 4.13 C ATOM 228 CG GLN A 327 -15.613 -2.358 -2.568 1.00 4.57 C ATOM 229 CD GLN A 327 -14.575 -3.436 -2.857 1.00 5.04 C ATOM 230 OE1 GLN A 327 -13.328 -3.208 -2.472 1.00 5.37 O flip ATOM 231 NE2 GLN A 327 -14.901 -4.480 -3.422 1.00 5.52 N flip ATOM 0 H GLN A 327 -15.989 -0.779 -0.300 1.00 3.89 H new ATOM 0 HA GLN A 327 -13.374 -1.312 -1.281 1.00 3.88 H new ATOM 0 HB2 GLN A 327 -15.873 -0.232 -2.648 1.00 4.13 H new ATOM 0 HB3 GLN A 327 -14.446 -0.812 -3.484 1.00 4.13 H new ATOM 0 HG2 GLN A 327 -16.061 -2.550 -1.593 1.00 4.57 H new ATOM 0 HG3 GLN A 327 -16.412 -2.429 -3.306 1.00 4.57 H new ATOM 0 HE21 GLN A 327 -15.870 -4.625 -3.706 1.00 5.52 H new ATOM 0 HE22 GLN A 327 -14.202 -5.200 -3.606 1.00 5.52 H new ATOM 240 N ALA A 328 -14.296 1.806 -1.028 1.00 3.40 N ATOM 241 CA ALA A 328 -13.844 3.187 -1.148 1.00 3.60 C ATOM 242 C ALA A 328 -12.696 3.480 -0.186 1.00 3.61 C ATOM 243 O ALA A 328 -11.768 4.221 -0.520 1.00 3.68 O ATOM 244 CB ALA A 328 -15.000 4.143 -0.902 1.00 4.16 C ATOM 0 H ALA A 328 -15.181 1.693 -0.534 1.00 3.40 H new ATOM 0 HA ALA A 328 -13.475 3.334 -2.163 1.00 3.60 H new ATOM 0 HB1 ALA A 328 -14.648 5.171 -0.995 1.00 4.16 H new ATOM 0 HB2 ALA A 328 -15.785 3.961 -1.636 1.00 4.16 H new ATOM 0 HB3 ALA A 328 -15.396 3.984 0.101 1.00 4.16 H new ATOM 250 N ALA A 329 -12.758 2.878 0.998 1.00 3.87 N ATOM 251 CA ALA A 329 -11.739 3.081 2.028 1.00 4.31 C ATOM 252 C ALA A 329 -10.436 2.365 1.673 1.00 4.02 C ATOM 253 O ALA A 329 -9.407 2.569 2.314 1.00 4.18 O ATOM 254 CB ALA A 329 -12.251 2.603 3.379 1.00 5.14 C ATOM 0 H ALA A 329 -13.507 2.242 1.271 1.00 3.87 H new ATOM 0 HA ALA A 329 -11.530 4.149 2.084 1.00 4.31 H new ATOM 0 HB1 ALA A 329 -11.482 2.760 4.136 1.00 5.14 H new ATOM 0 HB2 ALA A 329 -13.146 3.164 3.648 1.00 5.14 H new ATOM 0 HB3 ALA A 329 -12.492 1.542 3.322 1.00 5.14 H new ATOM 260 N LEU A 330 -10.492 1.530 0.647 1.00 3.86 N ATOM 261 CA LEU A 330 -9.334 0.770 0.200 1.00 4.05 C ATOM 262 C LEU A 330 -8.294 1.682 -0.459 1.00 3.61 C ATOM 263 O LEU A 330 -7.101 1.383 -0.458 1.00 3.83 O ATOM 264 CB LEU A 330 -9.776 -0.317 -0.785 1.00 4.52 C ATOM 265 CG LEU A 330 -8.687 -1.301 -1.213 1.00 5.18 C ATOM 266 CD1 LEU A 330 -8.243 -2.146 -0.027 1.00 5.96 C ATOM 267 CD2 LEU A 330 -9.191 -2.187 -2.342 1.00 5.66 C ATOM 0 H LEU A 330 -11.338 1.360 0.102 1.00 3.86 H new ATOM 0 HA LEU A 330 -8.873 0.306 1.072 1.00 4.05 H new ATOM 0 HB2 LEU A 330 -10.593 -0.880 -0.334 1.00 4.52 H new ATOM 0 HB3 LEU A 330 -10.175 0.166 -1.677 1.00 4.52 H new ATOM 0 HG LEU A 330 -7.828 -0.737 -1.575 1.00 5.18 H new ATOM 0 HD11 LEU A 330 -7.467 -2.842 -0.346 1.00 5.96 H new ATOM 0 HD12 LEU A 330 -7.849 -1.497 0.755 1.00 5.96 H new ATOM 0 HD13 LEU A 330 -9.095 -2.705 0.361 1.00 5.96 H new ATOM 0 HD21 LEU A 330 -8.405 -2.883 -2.637 1.00 5.66 H new ATOM 0 HD22 LEU A 330 -10.063 -2.747 -2.004 1.00 5.66 H new ATOM 0 HD23 LEU A 330 -9.466 -1.567 -3.196 1.00 5.66 H new ATOM 279 N GLN A 331 -8.761 2.803 -1.003 1.00 3.29 N ATOM 280 CA GLN A 331 -7.932 3.694 -1.821 1.00 3.38 C ATOM 281 C GLN A 331 -6.790 4.353 -1.042 1.00 3.36 C ATOM 282 O GLN A 331 -5.792 4.768 -1.634 1.00 3.53 O ATOM 283 CB GLN A 331 -8.800 4.773 -2.475 1.00 3.75 C ATOM 284 CG GLN A 331 -9.730 4.233 -3.551 1.00 4.36 C ATOM 285 CD GLN A 331 -8.977 3.657 -4.731 1.00 4.72 C ATOM 286 OE1 GLN A 331 -8.664 4.365 -5.689 1.00 5.26 O ATOM 287 NE2 GLN A 331 -8.678 2.369 -4.673 1.00 4.88 N ATOM 0 H GLN A 331 -9.723 3.122 -0.891 1.00 3.29 H new ATOM 0 HA GLN A 331 -7.471 3.066 -2.583 1.00 3.38 H new ATOM 0 HB2 GLN A 331 -9.395 5.266 -1.706 1.00 3.75 H new ATOM 0 HB3 GLN A 331 -8.153 5.533 -2.913 1.00 3.75 H new ATOM 0 HG2 GLN A 331 -10.370 3.462 -3.121 1.00 4.36 H new ATOM 0 HG3 GLN A 331 -10.384 5.033 -3.897 1.00 4.36 H new ATOM 0 HE21 GLN A 331 -8.955 1.817 -3.861 1.00 4.88 H new ATOM 0 HE22 GLN A 331 -8.170 1.928 -5.440 1.00 4.88 H new ATOM 296 N SER A 332 -6.942 4.490 0.265 1.00 3.52 N ATOM 297 CA SER A 332 -5.902 5.113 1.076 1.00 4.01 C ATOM 298 C SER A 332 -4.712 4.169 1.260 1.00 4.13 C ATOM 299 O SER A 332 -3.561 4.609 1.293 1.00 4.40 O ATOM 300 CB SER A 332 -6.464 5.531 2.436 1.00 4.82 C ATOM 301 OG SER A 332 -5.505 6.250 3.200 1.00 5.25 O ATOM 0 H SER A 332 -7.764 4.183 0.785 1.00 3.52 H new ATOM 0 HA SER A 332 -5.553 6.003 0.553 1.00 4.01 H new ATOM 0 HB2 SER A 332 -7.350 6.148 2.290 1.00 4.82 H new ATOM 0 HB3 SER A 332 -6.780 4.645 2.988 1.00 4.82 H new ATOM 0 HG SER A 332 -5.897 6.503 4.062 1.00 5.25 H new ATOM 307 N SER A 333 -4.991 2.877 1.365 1.00 4.24 N ATOM 308 CA SER A 333 -3.951 1.889 1.562 1.00 4.87 C ATOM 309 C SER A 333 -3.438 1.353 0.230 1.00 4.69 C ATOM 310 O SER A 333 -2.229 1.335 -0.022 1.00 5.07 O ATOM 311 CB SER A 333 -4.478 0.744 2.430 1.00 5.50 C ATOM 312 OG SER A 333 -5.795 0.380 2.046 1.00 6.18 O ATOM 0 H SER A 333 -5.934 2.492 1.316 1.00 4.24 H new ATOM 0 HA SER A 333 -3.115 2.369 2.071 1.00 4.87 H new ATOM 0 HB2 SER A 333 -3.818 -0.119 2.341 1.00 5.50 H new ATOM 0 HB3 SER A 333 -4.471 1.044 3.478 1.00 5.50 H new ATOM 0 HG SER A 333 -6.110 -0.354 2.613 1.00 6.18 H new ATOM 318 N TRP A 334 -4.358 0.930 -0.625 1.00 4.36 N ATOM 319 CA TRP A 334 -4.001 0.361 -1.912 1.00 4.61 C ATOM 320 C TRP A 334 -4.472 1.266 -3.041 1.00 4.24 C ATOM 321 O TRP A 334 -5.163 2.252 -2.805 1.00 3.98 O ATOM 322 CB TRP A 334 -4.599 -1.040 -2.067 1.00 5.51 C ATOM 323 CG TRP A 334 -4.048 -2.033 -1.089 1.00 6.03 C ATOM 324 CD1 TRP A 334 -4.709 -2.595 -0.037 1.00 6.54 C ATOM 325 CD2 TRP A 334 -2.720 -2.576 -1.065 1.00 6.46 C ATOM 326 NE1 TRP A 334 -3.879 -3.456 0.635 1.00 7.16 N ATOM 327 CE2 TRP A 334 -2.654 -3.463 0.025 1.00 7.11 C ATOM 328 CE3 TRP A 334 -1.585 -2.398 -1.860 1.00 6.66 C ATOM 329 CZ2 TRP A 334 -1.494 -4.170 0.340 1.00 7.83 C ATOM 330 CZ3 TRP A 334 -0.437 -3.100 -1.547 1.00 7.45 C ATOM 331 CH2 TRP A 334 -0.398 -3.978 -0.457 1.00 7.97 C ATOM 0 H TRP A 334 -5.362 0.971 -0.447 1.00 4.36 H new ATOM 0 HA TRP A 334 -2.915 0.279 -1.962 1.00 4.61 H new ATOM 0 HB2 TRP A 334 -5.680 -0.981 -1.944 1.00 5.51 H new ATOM 0 HB3 TRP A 334 -4.413 -1.397 -3.080 1.00 5.51 H new ATOM 0 HD1 TRP A 334 -5.736 -2.392 0.228 1.00 6.54 H new ATOM 0 HE1 TRP A 334 -4.134 -4.003 1.457 1.00 7.16 H new ATOM 0 HE3 TRP A 334 -1.605 -1.724 -2.704 1.00 6.66 H new ATOM 0 HZ2 TRP A 334 -1.462 -4.845 1.183 1.00 7.83 H new ATOM 0 HZ3 TRP A 334 0.447 -2.969 -2.154 1.00 7.45 H new ATOM 0 HH2 TRP A 334 0.514 -4.514 -0.241 1.00 7.97 H new ATOM 342 N GLY A 335 -4.103 0.925 -4.265 1.00 4.55 N ATOM 343 CA GLY A 335 -4.402 1.786 -5.390 1.00 4.68 C ATOM 344 C GLY A 335 -3.433 2.945 -5.467 1.00 4.16 C ATOM 345 O GLY A 335 -3.747 3.999 -6.025 1.00 4.48 O ATOM 0 H GLY A 335 -3.602 0.068 -4.500 1.00 4.55 H new ATOM 0 HA2 GLY A 335 -4.357 1.210 -6.314 1.00 4.68 H new ATOM 0 HA3 GLY A 335 -5.420 2.165 -5.300 1.00 4.68 H new ATOM 349 N MET A 336 -2.252 2.752 -4.897 1.00 3.70 N ATOM 350 CA MET A 336 -1.236 3.790 -4.894 1.00 3.47 C ATOM 351 C MET A 336 -0.482 3.793 -6.219 1.00 3.74 C ATOM 352 O MET A 336 -0.175 2.735 -6.772 1.00 4.01 O ATOM 353 CB MET A 336 -0.264 3.607 -3.722 1.00 3.41 C ATOM 354 CG MET A 336 0.457 2.265 -3.708 1.00 3.73 C ATOM 355 SD MET A 336 1.589 2.099 -2.315 1.00 4.20 S ATOM 356 CE MET A 336 2.215 0.442 -2.579 1.00 5.08 C ATOM 0 H MET A 336 -1.976 1.887 -4.432 1.00 3.70 H new ATOM 0 HA MET A 336 -1.732 4.753 -4.770 1.00 3.47 H new ATOM 0 HB2 MET A 336 0.478 4.405 -3.753 1.00 3.41 H new ATOM 0 HB3 MET A 336 -0.814 3.720 -2.788 1.00 3.41 H new ATOM 0 HG2 MET A 336 -0.279 1.462 -3.671 1.00 3.73 H new ATOM 0 HG3 MET A 336 1.012 2.146 -4.638 1.00 3.73 H new ATOM 0 HE1 MET A 336 2.930 0.194 -1.794 1.00 5.08 H new ATOM 0 HE2 MET A 336 1.388 -0.268 -2.554 1.00 5.08 H new ATOM 0 HE3 MET A 336 2.709 0.390 -3.549 1.00 5.08 H new ATOM 366 N MET A 337 -0.204 4.980 -6.730 1.00 4.13 N ATOM 367 CA MET A 337 0.451 5.119 -8.022 1.00 4.69 C ATOM 368 C MET A 337 1.935 5.403 -7.842 1.00 4.24 C ATOM 369 O MET A 337 2.350 5.994 -6.844 1.00 3.85 O ATOM 370 CB MET A 337 -0.208 6.236 -8.833 1.00 5.56 C ATOM 371 CG MET A 337 -1.701 6.032 -9.034 1.00 6.32 C ATOM 372 SD MET A 337 -2.090 4.450 -9.811 1.00 7.23 S ATOM 373 CE MET A 337 -3.884 4.493 -9.761 1.00 8.06 C ATOM 0 H MET A 337 -0.422 5.864 -6.270 1.00 4.13 H new ATOM 0 HA MET A 337 0.343 4.181 -8.566 1.00 4.69 H new ATOM 0 HB2 MET A 337 -0.043 7.188 -8.328 1.00 5.56 H new ATOM 0 HB3 MET A 337 0.277 6.303 -9.807 1.00 5.56 H new ATOM 0 HG2 MET A 337 -2.205 6.092 -8.069 1.00 6.32 H new ATOM 0 HG3 MET A 337 -2.094 6.841 -9.650 1.00 6.32 H new ATOM 0 HE1 MET A 337 -4.282 3.581 -10.206 1.00 8.06 H new ATOM 0 HE2 MET A 337 -4.217 4.567 -8.726 1.00 8.06 H new ATOM 0 HE3 MET A 337 -4.243 5.357 -10.321 1.00 8.06 H new ATOM 383 N GLY A 338 2.722 4.969 -8.819 1.00 4.64 N ATOM 384 CA GLY A 338 4.162 5.108 -8.757 1.00 4.49 C ATOM 385 C GLY A 338 4.596 6.553 -8.785 1.00 4.59 C ATOM 386 O GLY A 338 5.568 6.929 -8.132 1.00 4.39 O ATOM 0 H GLY A 338 2.379 4.516 -9.666 1.00 4.64 H new ATOM 0 HA2 GLY A 338 4.532 4.637 -7.847 1.00 4.49 H new ATOM 0 HA3 GLY A 338 4.613 4.578 -9.596 1.00 4.49 H new ATOM 390 N MET A 339 3.872 7.359 -9.553 1.00 5.28 N ATOM 391 CA MET A 339 4.189 8.776 -9.711 1.00 5.81 C ATOM 392 C MET A 339 4.152 9.521 -8.369 1.00 5.61 C ATOM 393 O MET A 339 4.732 10.599 -8.228 1.00 6.06 O ATOM 394 CB MET A 339 3.215 9.426 -10.698 1.00 6.87 C ATOM 395 CG MET A 339 3.546 10.874 -11.022 1.00 7.56 C ATOM 396 SD MET A 339 5.203 11.074 -11.706 1.00 8.38 S ATOM 397 CE MET A 339 5.289 12.856 -11.867 1.00 9.13 C ATOM 0 H MET A 339 3.054 7.053 -10.081 1.00 5.28 H new ATOM 0 HA MET A 339 5.204 8.846 -10.102 1.00 5.81 H new ATOM 0 HB2 MET A 339 3.210 8.849 -11.622 1.00 6.87 H new ATOM 0 HB3 MET A 339 2.207 9.377 -10.286 1.00 6.87 H new ATOM 0 HG2 MET A 339 2.815 11.259 -11.733 1.00 7.56 H new ATOM 0 HG3 MET A 339 3.456 11.474 -10.116 1.00 7.56 H new ATOM 0 HE1 MET A 339 6.258 13.138 -12.279 1.00 9.13 H new ATOM 0 HE2 MET A 339 4.498 13.200 -12.533 1.00 9.13 H new ATOM 0 HE3 MET A 339 5.163 13.316 -10.887 1.00 9.13 H new ATOM 407 N LEU A 340 3.465 8.946 -7.387 1.00 5.18 N ATOM 408 CA LEU A 340 3.415 9.518 -6.046 1.00 5.41 C ATOM 409 C LEU A 340 4.765 9.386 -5.353 1.00 5.02 C ATOM 410 O LEU A 340 5.150 10.256 -4.572 1.00 5.64 O ATOM 411 CB LEU A 340 2.344 8.828 -5.209 1.00 5.55 C ATOM 412 CG LEU A 340 0.917 8.930 -5.752 1.00 6.05 C ATOM 413 CD1 LEU A 340 -0.033 8.089 -4.915 1.00 6.16 C ATOM 414 CD2 LEU A 340 0.461 10.380 -5.780 1.00 7.07 C ATOM 0 H LEU A 340 2.934 8.082 -7.495 1.00 5.18 H new ATOM 0 HA LEU A 340 3.168 10.575 -6.142 1.00 5.41 H new ATOM 0 HB2 LEU A 340 2.604 7.774 -5.115 1.00 5.55 H new ATOM 0 HB3 LEU A 340 2.363 9.252 -4.205 1.00 5.55 H new ATOM 0 HG LEU A 340 0.908 8.546 -6.772 1.00 6.05 H new ATOM 0 HD11 LEU A 340 -1.043 8.174 -5.316 1.00 6.16 H new ATOM 0 HD12 LEU A 340 0.283 7.046 -4.944 1.00 6.16 H new ATOM 0 HD13 LEU A 340 -0.021 8.443 -3.884 1.00 6.16 H new ATOM 0 HD21 LEU A 340 -0.556 10.434 -6.169 1.00 7.07 H new ATOM 0 HD22 LEU A 340 0.485 10.789 -4.770 1.00 7.07 H new ATOM 0 HD23 LEU A 340 1.126 10.958 -6.421 1.00 7.07 H new ATOM 426 N ALA A 341 5.478 8.303 -5.667 1.00 4.36 N ATOM 427 CA ALA A 341 6.791 8.011 -5.087 1.00 4.43 C ATOM 428 C ALA A 341 6.711 7.768 -3.579 1.00 4.77 C ATOM 429 O ALA A 341 6.492 8.693 -2.792 1.00 5.40 O ATOM 430 CB ALA A 341 7.784 9.125 -5.404 1.00 4.13 C ATOM 0 H ALA A 341 5.160 7.600 -6.334 1.00 4.36 H new ATOM 0 HA ALA A 341 7.148 7.088 -5.545 1.00 4.43 H new ATOM 0 HB1 ALA A 341 8.752 8.886 -4.963 1.00 4.13 H new ATOM 0 HB2 ALA A 341 7.891 9.220 -6.485 1.00 4.13 H new ATOM 0 HB3 ALA A 341 7.420 10.066 -4.991 1.00 4.13 H new ATOM 436 N SER A 342 6.889 6.509 -3.186 1.00 4.71 N ATOM 437 CA SER A 342 6.869 6.131 -1.779 1.00 5.21 C ATOM 438 C SER A 342 7.912 6.932 -1.003 1.00 4.78 C ATOM 439 O SER A 342 9.049 7.085 -1.450 1.00 4.60 O ATOM 440 CB SER A 342 7.132 4.633 -1.631 1.00 5.76 C ATOM 441 OG SER A 342 6.956 4.201 -0.292 1.00 6.25 O ATOM 0 H SER A 342 7.049 5.732 -3.827 1.00 4.71 H new ATOM 0 HA SER A 342 5.883 6.354 -1.370 1.00 5.21 H new ATOM 0 HB2 SER A 342 6.458 4.079 -2.284 1.00 5.76 H new ATOM 0 HB3 SER A 342 8.148 4.408 -1.956 1.00 5.76 H new ATOM 0 HG SER A 342 7.130 3.238 -0.233 1.00 6.25 H new ATOM 447 N ARG A 343 7.510 7.451 0.150 1.00 4.96 N ATOM 448 CA ARG A 343 8.371 8.321 0.943 1.00 4.86 C ATOM 449 C ARG A 343 9.368 7.508 1.759 1.00 4.76 C ATOM 450 O ARG A 343 9.054 7.012 2.843 1.00 5.40 O ATOM 451 CB ARG A 343 7.539 9.219 1.871 1.00 5.67 C ATOM 452 CG ARG A 343 6.824 10.365 1.162 1.00 6.12 C ATOM 453 CD ARG A 343 5.711 9.881 0.244 1.00 6.82 C ATOM 454 NE ARG A 343 5.050 10.987 -0.442 1.00 7.18 N ATOM 455 CZ ARG A 343 3.867 10.894 -1.050 1.00 7.92 C ATOM 456 NH1 ARG A 343 3.205 9.743 -1.060 1.00 8.35 N ATOM 457 NH2 ARG A 343 3.344 11.961 -1.644 1.00 8.49 N ATOM 0 H ARG A 343 6.590 7.284 0.558 1.00 4.96 H new ATOM 0 HA ARG A 343 8.926 8.955 0.251 1.00 4.86 H new ATOM 0 HB2 ARG A 343 6.798 8.605 2.382 1.00 5.67 H new ATOM 0 HB3 ARG A 343 8.193 9.634 2.638 1.00 5.67 H new ATOM 0 HG2 ARG A 343 6.407 11.044 1.906 1.00 6.12 H new ATOM 0 HG3 ARG A 343 7.548 10.935 0.580 1.00 6.12 H new ATOM 0 HD2 ARG A 343 6.123 9.191 -0.493 1.00 6.82 H new ATOM 0 HD3 ARG A 343 4.977 9.324 0.826 1.00 6.82 H new ATOM 0 HE ARG A 343 5.524 11.890 -0.457 1.00 7.18 H new ATOM 0 HH11 ARG A 343 3.601 8.923 -0.601 1.00 8.35 H new ATOM 0 HH12 ARG A 343 2.300 9.679 -1.527 1.00 8.35 H new ATOM 0 HH21 ARG A 343 3.847 12.848 -1.634 1.00 8.49 H new ATOM 0 HH22 ARG A 343 2.439 11.893 -2.110 1.00 8.49 H new ATOM 471 N GLN A 344 10.572 7.377 1.231 1.00 4.30 N ATOM 472 CA GLN A 344 11.627 6.632 1.901 1.00 4.47 C ATOM 473 C GLN A 344 12.751 7.569 2.323 1.00 4.38 C ATOM 474 O GLN A 344 12.859 8.685 1.817 1.00 4.22 O ATOM 475 CB GLN A 344 12.198 5.553 0.980 1.00 4.62 C ATOM 476 CG GLN A 344 11.184 4.511 0.537 1.00 5.14 C ATOM 477 CD GLN A 344 11.810 3.439 -0.330 1.00 5.62 C ATOM 478 OE1 GLN A 344 11.854 3.558 -1.554 1.00 6.10 O ATOM 479 NE2 GLN A 344 12.299 2.384 0.299 1.00 5.93 N ATOM 0 H GLN A 344 10.846 7.779 0.335 1.00 4.30 H new ATOM 0 HA GLN A 344 11.194 6.159 2.782 1.00 4.47 H new ATOM 0 HB2 GLN A 344 12.620 6.032 0.096 1.00 4.62 H new ATOM 0 HB3 GLN A 344 13.018 5.050 1.493 1.00 4.62 H new ATOM 0 HG2 GLN A 344 10.733 4.049 1.415 1.00 5.14 H new ATOM 0 HG3 GLN A 344 10.381 4.999 -0.015 1.00 5.14 H new ATOM 0 HE21 GLN A 344 12.242 2.325 1.316 1.00 5.93 H new ATOM 0 HE22 GLN A 344 12.733 1.629 -0.232 1.00 5.93 H new ATOM 488 N ASN A 345 13.582 7.105 3.245 1.00 4.85 N ATOM 489 CA ASN A 345 14.743 7.857 3.677 1.00 4.99 C ATOM 490 C ASN A 345 16.003 7.059 3.384 1.00 4.91 C ATOM 491 O ASN A 345 16.115 5.900 3.789 1.00 5.29 O ATOM 492 CB ASN A 345 14.656 8.183 5.176 1.00 5.88 C ATOM 493 CG ASN A 345 13.500 9.115 5.508 1.00 6.35 C ATOM 494 OD1 ASN A 345 12.387 8.670 5.794 1.00 6.50 O ATOM 495 ND2 ASN A 345 13.755 10.415 5.471 1.00 6.96 N ATOM 0 H ASN A 345 13.469 6.204 3.709 1.00 4.85 H new ATOM 0 HA ASN A 345 14.776 8.798 3.128 1.00 4.99 H new ATOM 0 HB2 ASN A 345 14.544 7.257 5.739 1.00 5.88 H new ATOM 0 HB3 ASN A 345 15.591 8.641 5.499 1.00 5.88 H new ATOM 0 HD21 ASN A 345 13.017 11.086 5.684 1.00 6.96 H new ATOM 0 HD22 ASN A 345 14.690 10.745 5.230 1.00 6.96 H new ATOM 502 N GLN A 346 16.944 7.673 2.679 1.00 4.79 N ATOM 503 CA GLN A 346 18.146 6.977 2.246 1.00 5.00 C ATOM 504 C GLN A 346 19.372 7.473 2.994 1.00 5.26 C ATOM 505 O GLN A 346 19.478 8.652 3.331 1.00 5.28 O ATOM 506 CB GLN A 346 18.352 7.150 0.740 1.00 5.09 C ATOM 507 CG GLN A 346 17.253 6.525 -0.116 1.00 5.54 C ATOM 508 CD GLN A 346 17.217 5.010 -0.029 1.00 5.92 C ATOM 509 OE1 GLN A 346 17.560 4.420 0.993 1.00 6.41 O ATOM 510 NE2 GLN A 346 16.807 4.367 -1.109 1.00 6.10 N ATOM 0 H GLN A 346 16.897 8.652 2.395 1.00 4.79 H new ATOM 0 HA GLN A 346 18.013 5.919 2.470 1.00 5.00 H new ATOM 0 HB2 GLN A 346 18.414 8.214 0.513 1.00 5.09 H new ATOM 0 HB3 GLN A 346 19.309 6.709 0.462 1.00 5.09 H new ATOM 0 HG2 GLN A 346 16.288 6.924 0.196 1.00 5.54 H new ATOM 0 HG3 GLN A 346 17.399 6.820 -1.155 1.00 5.54 H new ATOM 0 HE21 GLN A 346 16.530 4.890 -1.940 1.00 6.10 H new ATOM 0 HE22 GLN A 346 16.768 3.348 -1.112 1.00 6.10 H new ATOM 519 N SER A 347 20.294 6.562 3.242 1.00 5.76 N ATOM 520 CA SER A 347 21.533 6.883 3.920 1.00 6.15 C ATOM 521 C SER A 347 22.670 6.093 3.278 1.00 5.87 C ATOM 522 O SER A 347 22.481 4.943 2.876 1.00 6.25 O ATOM 523 CB SER A 347 21.407 6.549 5.411 1.00 6.93 C ATOM 524 OG SER A 347 22.540 6.984 6.146 1.00 7.46 O ATOM 0 H SER A 347 20.204 5.581 2.979 1.00 5.76 H new ATOM 0 HA SER A 347 21.747 7.948 3.827 1.00 6.15 H new ATOM 0 HB2 SER A 347 20.510 7.019 5.814 1.00 6.93 H new ATOM 0 HB3 SER A 347 21.286 5.473 5.533 1.00 6.93 H new ATOM 0 HG SER A 347 22.424 6.756 7.092 1.00 7.46 H new ATOM 530 N GLY A 348 23.833 6.711 3.157 1.00 5.53 N ATOM 531 CA GLY A 348 24.957 6.037 2.541 1.00 5.54 C ATOM 532 C GLY A 348 26.003 7.006 2.042 1.00 5.59 C ATOM 533 O GLY A 348 26.964 7.295 2.751 1.00 5.68 O ATOM 0 H GLY A 348 24.020 7.663 3.472 1.00 5.53 H new ATOM 0 HA2 GLY A 348 25.410 5.357 3.262 1.00 5.54 H new ATOM 0 HA3 GLY A 348 24.602 5.429 1.709 1.00 5.54 H new ATOM 537 N PRO A 349 25.841 7.529 0.815 1.00 5.91 N ATOM 538 CA PRO A 349 26.789 8.482 0.227 1.00 6.29 C ATOM 539 C PRO A 349 26.876 9.780 1.029 1.00 6.35 C ATOM 540 O PRO A 349 25.995 10.637 0.941 1.00 6.32 O ATOM 541 CB PRO A 349 26.221 8.749 -1.172 1.00 6.89 C ATOM 542 CG PRO A 349 24.784 8.358 -1.087 1.00 6.91 C ATOM 543 CD PRO A 349 24.720 7.234 -0.092 1.00 6.34 C ATOM 0 HA PRO A 349 27.805 8.086 0.213 1.00 6.29 H new ATOM 0 HB2 PRO A 349 26.329 9.798 -1.448 1.00 6.89 H new ATOM 0 HB3 PRO A 349 26.745 8.165 -1.929 1.00 6.89 H new ATOM 0 HG2 PRO A 349 24.169 9.199 -0.766 1.00 6.91 H new ATOM 0 HG3 PRO A 349 24.408 8.040 -2.059 1.00 6.91 H new ATOM 0 HD2 PRO A 349 23.767 7.217 0.437 1.00 6.34 H new ATOM 0 HD3 PRO A 349 24.835 6.263 -0.573 1.00 6.34 H new ATOM 551 N SER A 350 27.946 9.917 1.802 1.00 6.79 N ATOM 552 CA SER A 350 28.144 11.080 2.663 1.00 7.31 C ATOM 553 C SER A 350 28.235 12.368 1.841 1.00 7.44 C ATOM 554 O SER A 350 27.860 13.443 2.306 1.00 7.86 O ATOM 555 CB SER A 350 29.419 10.897 3.483 1.00 8.11 C ATOM 556 OG SER A 350 29.491 9.587 4.024 1.00 8.24 O ATOM 0 H SER A 350 28.698 9.230 1.851 1.00 6.79 H new ATOM 0 HA SER A 350 27.286 11.164 3.330 1.00 7.31 H new ATOM 0 HB2 SER A 350 30.290 11.083 2.855 1.00 8.11 H new ATOM 0 HB3 SER A 350 29.445 11.630 4.290 1.00 8.11 H new ATOM 0 HG SER A 350 30.317 9.493 4.544 1.00 8.24 H new ATOM 562 N GLY A 351 28.740 12.247 0.617 1.00 7.35 N ATOM 563 CA GLY A 351 28.836 13.393 -0.269 1.00 7.72 C ATOM 564 C GLY A 351 27.476 13.945 -0.646 1.00 7.36 C ATOM 565 O GLY A 351 27.314 15.152 -0.839 1.00 7.91 O ATOM 0 H GLY A 351 29.086 11.372 0.222 1.00 7.35 H new ATOM 0 HA2 GLY A 351 29.422 14.175 0.214 1.00 7.72 H new ATOM 0 HA3 GLY A 351 29.372 13.106 -1.173 1.00 7.72 H new ATOM 569 N ASN A 352 26.497 13.059 -0.756 1.00 6.68 N ATOM 570 CA ASN A 352 25.148 13.454 -1.137 1.00 6.65 C ATOM 571 C ASN A 352 24.311 13.773 0.090 1.00 6.74 C ATOM 572 O ASN A 352 23.649 14.809 0.145 1.00 7.00 O ATOM 573 CB ASN A 352 24.468 12.362 -1.962 1.00 6.99 C ATOM 574 CG ASN A 352 25.048 12.248 -3.358 1.00 7.28 C ATOM 575 OD1 ASN A 352 25.508 13.235 -3.932 1.00 7.60 O ATOM 576 ND2 ASN A 352 25.029 11.048 -3.914 1.00 7.53 N ATOM 0 H ASN A 352 26.612 12.060 -0.587 1.00 6.68 H new ATOM 0 HA ASN A 352 25.229 14.352 -1.750 1.00 6.65 H new ATOM 0 HB2 ASN A 352 24.571 11.406 -1.449 1.00 6.99 H new ATOM 0 HB3 ASN A 352 23.401 12.574 -2.031 1.00 6.99 H new ATOM 0 HD21 ASN A 352 25.405 10.915 -4.853 1.00 7.53 H new ATOM 0 HD22 ASN A 352 24.639 10.256 -3.404 1.00 7.53 H new ATOM 583 N ASN A 353 24.343 12.895 1.079 1.00 6.86 N ATOM 584 CA ASN A 353 23.579 13.108 2.300 1.00 7.25 C ATOM 585 C ASN A 353 24.493 13.598 3.412 1.00 7.06 C ATOM 586 O ASN A 353 25.303 12.836 3.941 1.00 7.25 O ATOM 587 CB ASN A 353 22.871 11.822 2.735 1.00 8.01 C ATOM 588 CG ASN A 353 21.967 12.043 3.937 1.00 8.61 C ATOM 589 OD1 ASN A 353 21.394 13.119 4.115 1.00 8.84 O ATOM 590 ND2 ASN A 353 21.835 11.026 4.775 1.00 9.15 N ATOM 0 H ASN A 353 24.886 12.032 1.062 1.00 6.86 H new ATOM 0 HA ASN A 353 22.822 13.866 2.098 1.00 7.25 H new ATOM 0 HB2 ASN A 353 22.280 11.436 1.904 1.00 8.01 H new ATOM 0 HB3 ASN A 353 23.615 11.063 2.977 1.00 8.01 H new ATOM 0 HD21 ASN A 353 21.243 11.119 5.601 1.00 9.15 H new ATOM 0 HD22 ASN A 353 22.325 10.150 4.595 1.00 9.15 H new ATOM 597 N GLN A 354 24.363 14.875 3.748 1.00 6.98 N ATOM 598 CA GLN A 354 25.174 15.492 4.792 1.00 7.10 C ATOM 599 C GLN A 354 24.831 14.877 6.145 1.00 7.21 C ATOM 600 O GLN A 354 23.657 14.671 6.464 1.00 7.45 O ATOM 601 CB GLN A 354 24.922 17.002 4.815 1.00 7.49 C ATOM 602 CG GLN A 354 26.188 17.846 4.722 1.00 7.80 C ATOM 603 CD GLN A 354 27.090 17.698 5.931 1.00 8.26 C ATOM 604 OE1 GLN A 354 26.628 17.442 7.041 1.00 8.50 O ATOM 605 NE2 GLN A 354 28.383 17.861 5.723 1.00 8.68 N ATOM 0 H GLN A 354 23.697 15.510 3.308 1.00 6.98 H new ATOM 0 HA GLN A 354 26.229 15.313 4.584 1.00 7.10 H new ATOM 0 HB2 GLN A 354 24.263 17.262 3.987 1.00 7.49 H new ATOM 0 HB3 GLN A 354 24.395 17.258 5.734 1.00 7.49 H new ATOM 0 HG2 GLN A 354 26.741 17.563 3.826 1.00 7.80 H new ATOM 0 HG3 GLN A 354 25.911 18.894 4.608 1.00 7.80 H new ATOM 0 HE21 GLN A 354 28.726 18.073 4.786 1.00 8.68 H new ATOM 0 HE22 GLN A 354 29.039 17.775 6.499 1.00 8.68 H new ATOM 614 N ASN A 355 25.859 14.578 6.934 1.00 7.39 N ATOM 615 CA ASN A 355 25.677 13.906 8.216 1.00 7.86 C ATOM 616 C ASN A 355 25.014 14.818 9.236 1.00 7.88 C ATOM 617 O ASN A 355 24.412 14.346 10.201 1.00 8.43 O ATOM 618 CB ASN A 355 27.018 13.409 8.761 1.00 8.36 C ATOM 619 CG ASN A 355 27.570 12.235 7.974 1.00 9.04 C ATOM 620 OD1 ASN A 355 27.255 11.080 8.260 1.00 9.34 O ATOM 621 ND2 ASN A 355 28.414 12.517 6.993 1.00 9.55 N ATOM 0 H ASN A 355 26.830 14.792 6.706 1.00 7.39 H new ATOM 0 HA ASN A 355 25.021 13.052 8.044 1.00 7.86 H new ATOM 0 HB2 ASN A 355 27.739 14.226 8.741 1.00 8.36 H new ATOM 0 HB3 ASN A 355 26.896 13.117 9.804 1.00 8.36 H new ATOM 0 HD21 ASN A 355 28.828 11.764 6.444 1.00 9.55 H new ATOM 0 HD22 ASN A 355 28.650 13.488 6.787 1.00 9.55 H new ATOM 628 N GLN A 356 25.131 16.125 9.022 1.00 7.55 N ATOM 629 CA GLN A 356 24.494 17.099 9.895 1.00 7.79 C ATOM 630 C GLN A 356 22.979 16.965 9.793 1.00 7.86 C ATOM 631 O GLN A 356 22.418 16.965 8.694 1.00 8.00 O ATOM 632 CB GLN A 356 24.943 18.514 9.526 1.00 8.09 C ATOM 633 CG GLN A 356 24.398 19.592 10.446 1.00 8.51 C ATOM 634 CD GLN A 356 25.019 20.946 10.177 1.00 8.98 C ATOM 635 OE1 GLN A 356 24.519 21.728 9.367 1.00 9.12 O ATOM 636 NE2 GLN A 356 26.120 21.233 10.856 1.00 9.48 N ATOM 0 H GLN A 356 25.661 16.532 8.251 1.00 7.55 H new ATOM 0 HA GLN A 356 24.792 16.909 10.926 1.00 7.79 H new ATOM 0 HB2 GLN A 356 26.032 18.554 9.540 1.00 8.09 H new ATOM 0 HB3 GLN A 356 24.630 18.729 8.504 1.00 8.09 H new ATOM 0 HG2 GLN A 356 23.317 19.660 10.322 1.00 8.51 H new ATOM 0 HG3 GLN A 356 24.583 19.309 11.482 1.00 8.51 H new ATOM 0 HE21 GLN A 356 26.502 20.557 11.518 1.00 9.48 H new ATOM 0 HE22 GLN A 356 26.586 22.130 10.717 1.00 9.48 H new ATOM 645 N GLY A 357 22.326 16.855 10.936 1.00 8.09 N ATOM 646 CA GLY A 357 20.908 16.555 10.961 1.00 8.52 C ATOM 647 C GLY A 357 20.630 15.273 11.717 1.00 8.74 C ATOM 648 O GLY A 357 19.532 14.717 11.656 1.00 9.34 O ATOM 0 H GLY A 357 22.754 16.969 11.855 1.00 8.09 H new ATOM 0 HA2 GLY A 357 20.368 17.379 11.427 1.00 8.52 H new ATOM 0 HA3 GLY A 357 20.535 16.466 9.941 1.00 8.52 H new ATOM 652 N ASN A 358 21.649 14.798 12.414 1.00 8.53 N ATOM 653 CA ASN A 358 21.541 13.602 13.234 1.00 9.03 C ATOM 654 C ASN A 358 21.913 13.924 14.676 1.00 9.56 C ATOM 655 O ASN A 358 21.952 15.095 15.059 1.00 9.97 O ATOM 656 CB ASN A 358 22.438 12.480 12.696 1.00 8.90 C ATOM 657 CG ASN A 358 21.911 11.862 11.416 1.00 9.11 C ATOM 658 OD1 ASN A 358 21.133 10.912 11.448 1.00 9.38 O ATOM 659 ND2 ASN A 358 22.336 12.388 10.281 1.00 9.24 N ATOM 0 H ASN A 358 22.573 15.230 12.428 1.00 8.53 H new ATOM 0 HA ASN A 358 20.508 13.256 13.198 1.00 9.03 H new ATOM 0 HB2 ASN A 358 23.438 12.876 12.517 1.00 8.90 H new ATOM 0 HB3 ASN A 358 22.534 11.704 13.455 1.00 8.90 H new ATOM 0 HD21 ASN A 358 22.018 12.005 9.391 1.00 9.24 H new ATOM 0 HD22 ASN A 358 22.982 13.177 10.295 1.00 9.24 H new ATOM 666 N MET A 359 22.187 12.895 15.470 1.00 9.75 N ATOM 667 CA MET A 359 22.530 13.087 16.876 1.00 10.44 C ATOM 668 C MET A 359 23.769 13.967 17.022 1.00 10.94 C ATOM 669 O MET A 359 24.772 13.751 16.342 1.00 10.94 O ATOM 670 CB MET A 359 22.769 11.745 17.576 1.00 10.66 C ATOM 671 CG MET A 359 21.563 10.817 17.574 1.00 10.96 C ATOM 672 SD MET A 359 21.232 10.097 15.952 1.00 11.53 S ATOM 673 CE MET A 359 19.746 9.158 16.295 1.00 12.03 C ATOM 0 H MET A 359 22.179 11.921 15.166 1.00 9.75 H new ATOM 0 HA MET A 359 21.684 13.585 17.350 1.00 10.44 H new ATOM 0 HB2 MET A 359 23.604 11.239 17.091 1.00 10.66 H new ATOM 0 HB3 MET A 359 23.066 11.934 18.608 1.00 10.66 H new ATOM 0 HG2 MET A 359 21.726 10.016 18.295 1.00 10.96 H new ATOM 0 HG3 MET A 359 20.685 11.370 17.906 1.00 10.96 H new ATOM 0 HE1 MET A 359 19.416 8.654 15.387 1.00 12.03 H new ATOM 0 HE2 MET A 359 19.954 8.417 17.067 1.00 12.03 H new ATOM 0 HE3 MET A 359 18.962 9.831 16.641 1.00 12.03 H new ATOM 683 N GLN A 360 23.672 14.952 17.914 1.00 11.57 N ATOM 684 CA GLN A 360 24.752 15.901 18.191 1.00 12.30 C ATOM 685 C GLN A 360 25.059 16.759 16.966 1.00 12.97 C ATOM 686 O GLN A 360 24.290 17.712 16.701 1.00 13.47 O ATOM 687 CB GLN A 360 26.017 15.173 18.666 1.00 12.66 C ATOM 688 CG GLN A 360 25.790 14.290 19.885 1.00 12.82 C ATOM 689 CD GLN A 360 27.067 13.663 20.412 1.00 13.18 C ATOM 690 OE1 GLN A 360 28.012 13.410 19.661 1.00 13.44 O ATOM 691 NE2 GLN A 360 27.095 13.391 21.707 1.00 13.37 N ATOM 692 OXT GLN A 360 26.065 16.487 16.277 1.00 13.14 O ATOM 0 H GLN A 360 22.833 15.116 18.471 1.00 11.57 H new ATOM 0 HA GLN A 360 24.414 16.559 18.992 1.00 12.30 H new ATOM 0 HB2 GLN A 360 26.402 14.560 17.851 1.00 12.66 H new ATOM 0 HB3 GLN A 360 26.785 15.911 18.900 1.00 12.66 H new ATOM 0 HG2 GLN A 360 25.331 14.883 20.676 1.00 12.82 H new ATOM 0 HG3 GLN A 360 25.084 13.500 19.628 1.00 12.82 H new ATOM 0 HE21 GLN A 360 26.291 13.617 22.293 1.00 13.37 H new ATOM 0 HE22 GLN A 360 27.920 12.956 22.119 1.00 13.37 H new TER 701 GLN A 360