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 355 ASN : amide:sc= 1.46 K(o=1.8,f=-0.44) USER MOD Set 1.2: A 356 GLN : amide:sc= -0.2 X(o=1.8,f=1.6) USER MOD Set 1.3: A 358 ASN : amide:sc= -0.642 K(o=1.8,f=-0.76) USER MOD Set 1.4: A 360 GLN : amide:sc= 1.21 K(o=1.8,f=-0.76) USER MOD Set 2.1: A 346 GLN : amide:sc= -0.38 K(o=-0.38,f=-3!) USER MOD Set 2.2: A 347 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 342 SER OG : rot -53:sc= 0.905 USER MOD Set 3.2: A 344 GLN : amide:sc= 0.744 K(o=1.6,f=-0.87) USER MOD Single : A 311 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 312 ASN : amide:sc= -0.077 K(o=-0.077,f=-1.5!) USER MOD Single : A 317 SER OG : rot 180:sc= 0 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 -165:sc= -0.0766 (180deg=-0.427) USER MOD Single : A 327 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 331 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 333 SER OG : rot 68:sc= 1.25 USER MOD Single : A 336 MET CE :methyl 160:sc= -0.107 (180deg=-0.651) USER MOD Single : A 337 MET CE :methyl 159:sc= -0.14 (180deg=-0.74) USER MOD Single : A 339 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 345 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc=-0.00696 K(o=-0.007,f=-1) USER MOD Single : A 353 ASN : amide:sc= 0.151 X(o=0.15,f=0) USER MOD Single : A 354 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 359 MET CE :methyl 169:sc= -0.0239 (180deg=-0.264) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 -22.620 5.559 -16.037 1.00 15.10 N ATOM 2 CA MET A 311 -23.783 4.688 -16.333 1.00 14.91 C ATOM 3 C MET A 311 -24.624 4.513 -15.079 1.00 14.01 C ATOM 4 O MET A 311 -24.110 4.123 -14.034 1.00 13.92 O ATOM 5 CB MET A 311 -23.328 3.302 -16.817 1.00 15.49 C ATOM 6 CG MET A 311 -22.419 3.317 -18.039 1.00 16.12 C ATOM 7 SD MET A 311 -20.770 3.951 -17.681 1.00 16.98 S ATOM 8 CE MET A 311 -19.964 3.708 -19.259 1.00 17.92 C ATOM 0 HA MET A 311 -24.368 5.164 -17.120 1.00 14.91 H new ATOM 0 HB2 MET A 311 -22.807 2.801 -16.001 1.00 15.49 H new ATOM 0 HB3 MET A 311 -24.211 2.705 -17.046 1.00 15.49 H new ATOM 0 HG2 MET A 311 -22.335 2.305 -18.435 1.00 16.12 H new ATOM 0 HG3 MET A 311 -22.876 3.928 -18.818 1.00 16.12 H new ATOM 0 HE1 MET A 311 -18.932 4.054 -19.197 1.00 17.92 H new ATOM 0 HE2 MET A 311 -19.977 2.649 -19.515 1.00 17.92 H new ATOM 0 HE3 MET A 311 -20.491 4.274 -20.028 1.00 17.92 H new ATOM 20 N ASN A 312 -25.916 4.790 -15.170 1.00 13.49 N ATOM 21 CA ASN A 312 -26.810 4.588 -14.036 1.00 12.74 C ATOM 22 C ASN A 312 -27.409 3.186 -14.116 1.00 12.32 C ATOM 23 O ASN A 312 -28.626 3.002 -14.150 1.00 12.29 O ATOM 24 CB ASN A 312 -27.913 5.655 -14.018 1.00 12.63 C ATOM 25 CG ASN A 312 -28.629 5.754 -12.678 1.00 12.56 C ATOM 26 OD1 ASN A 312 -28.790 4.768 -11.953 1.00 12.43 O ATOM 27 ND2 ASN A 312 -29.054 6.958 -12.330 1.00 12.87 N ATOM 0 H ASN A 312 -26.368 5.153 -16.010 1.00 13.49 H new ATOM 0 HA ASN A 312 -26.246 4.684 -13.108 1.00 12.74 H new ATOM 0 HB2 ASN A 312 -27.477 6.624 -14.262 1.00 12.63 H new ATOM 0 HB3 ASN A 312 -28.642 5.428 -14.796 1.00 12.63 H new ATOM 0 HD21 ASN A 312 -29.531 7.092 -11.439 1.00 12.87 H new ATOM 0 HD22 ASN A 312 -28.904 7.752 -12.953 1.00 12.87 H new ATOM 34 N PHE A 313 -26.529 2.197 -14.170 1.00 12.16 N ATOM 35 CA PHE A 313 -26.938 0.810 -14.303 1.00 11.96 C ATOM 36 C PHE A 313 -26.236 -0.041 -13.257 1.00 11.11 C ATOM 37 O PHE A 313 -25.035 0.111 -13.025 1.00 11.29 O ATOM 38 CB PHE A 313 -26.612 0.282 -15.702 1.00 12.55 C ATOM 39 CG PHE A 313 -27.293 1.031 -16.813 1.00 13.17 C ATOM 40 CD1 PHE A 313 -28.649 0.866 -17.049 1.00 13.49 C ATOM 41 CD2 PHE A 313 -26.579 1.900 -17.622 1.00 13.57 C ATOM 42 CE1 PHE A 313 -29.280 1.550 -18.070 1.00 14.21 C ATOM 43 CE2 PHE A 313 -27.206 2.588 -18.642 1.00 14.27 C ATOM 44 CZ PHE A 313 -28.549 2.421 -18.865 1.00 14.59 C ATOM 0 H PHE A 313 -25.519 2.333 -14.123 1.00 12.16 H new ATOM 0 HA PHE A 313 -28.016 0.753 -14.151 1.00 11.96 H new ATOM 0 HB2 PHE A 313 -25.534 0.328 -15.854 1.00 12.55 H new ATOM 0 HB3 PHE A 313 -26.897 -0.769 -15.758 1.00 12.55 H new ATOM 0 HD1 PHE A 313 -29.220 0.193 -16.426 1.00 13.49 H new ATOM 0 HD2 PHE A 313 -25.522 2.041 -17.453 1.00 13.57 H new ATOM 0 HE1 PHE A 313 -30.336 1.408 -18.248 1.00 14.21 H new ATOM 0 HE2 PHE A 313 -26.637 3.260 -19.267 1.00 14.27 H new ATOM 0 HZ PHE A 313 -29.037 2.967 -19.659 1.00 14.59 H new ATOM 54 N GLY A 314 -26.996 -0.913 -12.607 1.00 10.31 N ATOM 55 CA GLY A 314 -26.432 -1.787 -11.595 1.00 9.52 C ATOM 56 C GLY A 314 -26.087 -1.043 -10.322 1.00 8.89 C ATOM 57 O GLY A 314 -25.350 -1.549 -9.479 1.00 8.22 O ATOM 0 H GLY A 314 -27.997 -1.031 -12.763 1.00 10.31 H new ATOM 0 HA2 GLY A 314 -27.142 -2.582 -11.368 1.00 9.52 H new ATOM 0 HA3 GLY A 314 -25.535 -2.264 -11.989 1.00 9.52 H new ATOM 61 N ALA A 315 -26.627 0.160 -10.185 1.00 9.30 N ATOM 62 CA ALA A 315 -26.305 1.020 -9.054 1.00 9.10 C ATOM 63 C ALA A 315 -26.976 0.534 -7.773 1.00 8.51 C ATOM 64 O ALA A 315 -26.458 0.737 -6.677 1.00 8.20 O ATOM 65 CB ALA A 315 -26.704 2.455 -9.356 1.00 10.04 C ATOM 0 H ALA A 315 -27.292 0.564 -10.845 1.00 9.30 H new ATOM 0 HA ALA A 315 -25.227 0.979 -8.896 1.00 9.10 H new ATOM 0 HB1 ALA A 315 -26.458 3.088 -8.503 1.00 10.04 H new ATOM 0 HB2 ALA A 315 -26.164 2.805 -10.236 1.00 10.04 H new ATOM 0 HB3 ALA A 315 -27.776 2.502 -9.546 1.00 10.04 H new ATOM 71 N PHE A 316 -28.132 -0.098 -7.914 1.00 8.63 N ATOM 72 CA PHE A 316 -28.852 -0.642 -6.767 1.00 8.47 C ATOM 73 C PHE A 316 -28.644 -2.149 -6.668 1.00 7.73 C ATOM 74 O PHE A 316 -28.927 -2.762 -5.637 1.00 7.72 O ATOM 75 CB PHE A 316 -30.350 -0.316 -6.861 1.00 9.29 C ATOM 76 CG PHE A 316 -31.026 -0.843 -8.100 1.00 10.04 C ATOM 77 CD1 PHE A 316 -30.929 -0.160 -9.302 1.00 10.61 C ATOM 78 CD2 PHE A 316 -31.762 -2.018 -8.060 1.00 10.37 C ATOM 79 CE1 PHE A 316 -31.553 -0.635 -10.441 1.00 11.44 C ATOM 80 CE2 PHE A 316 -32.387 -2.499 -9.194 1.00 11.22 C ATOM 81 CZ PHE A 316 -32.281 -1.806 -10.385 1.00 11.73 C ATOM 0 H PHE A 316 -28.594 -0.248 -8.811 1.00 8.63 H new ATOM 0 HA PHE A 316 -28.454 -0.177 -5.865 1.00 8.47 H new ATOM 0 HB2 PHE A 316 -30.854 -0.725 -5.985 1.00 9.29 H new ATOM 0 HB3 PHE A 316 -30.477 0.766 -6.825 1.00 9.29 H new ATOM 0 HD1 PHE A 316 -30.358 0.756 -9.350 1.00 10.61 H new ATOM 0 HD2 PHE A 316 -31.847 -2.563 -7.132 1.00 10.37 H new ATOM 0 HE1 PHE A 316 -31.471 -0.092 -11.371 1.00 11.44 H new ATOM 0 HE2 PHE A 316 -32.957 -3.415 -9.150 1.00 11.22 H new ATOM 0 HZ PHE A 316 -32.768 -2.181 -11.273 1.00 11.73 H new ATOM 91 N SER A 317 -28.156 -2.740 -7.750 1.00 7.38 N ATOM 92 CA SER A 317 -27.956 -4.177 -7.812 1.00 6.88 C ATOM 93 C SER A 317 -26.552 -4.555 -7.357 1.00 6.15 C ATOM 94 O SER A 317 -25.570 -3.960 -7.805 1.00 6.12 O ATOM 95 CB SER A 317 -28.206 -4.670 -9.237 1.00 7.20 C ATOM 96 OG SER A 317 -29.507 -4.310 -9.665 1.00 8.01 O ATOM 0 H SER A 317 -27.891 -2.242 -8.599 1.00 7.38 H new ATOM 0 HA SER A 317 -28.665 -4.656 -7.137 1.00 6.88 H new ATOM 0 HB2 SER A 317 -27.464 -4.243 -9.911 1.00 7.20 H new ATOM 0 HB3 SER A 317 -28.089 -5.753 -9.279 1.00 7.20 H new ATOM 0 HG SER A 317 -29.651 -4.631 -10.580 1.00 8.01 H new ATOM 102 N ILE A 318 -26.473 -5.539 -6.458 1.00 5.89 N ATOM 103 CA ILE A 318 -25.201 -6.058 -5.946 1.00 5.46 C ATOM 104 C ILE A 318 -24.539 -5.070 -4.987 1.00 5.05 C ATOM 105 O ILE A 318 -24.340 -5.384 -3.815 1.00 5.20 O ATOM 106 CB ILE A 318 -24.218 -6.425 -7.083 1.00 5.77 C ATOM 107 CG1 ILE A 318 -24.814 -7.527 -7.966 1.00 6.39 C ATOM 108 CG2 ILE A 318 -22.873 -6.866 -6.513 1.00 5.87 C ATOM 109 CD1 ILE A 318 -25.109 -8.815 -7.223 1.00 6.93 C ATOM 0 H ILE A 318 -27.292 -6.000 -6.063 1.00 5.89 H new ATOM 0 HA ILE A 318 -25.441 -6.971 -5.400 1.00 5.46 H new ATOM 0 HB ILE A 318 -24.054 -5.538 -7.695 1.00 5.77 H new ATOM 0 HG12 ILE A 318 -25.736 -7.159 -8.417 1.00 6.39 H new ATOM 0 HG13 ILE A 318 -24.123 -7.739 -8.782 1.00 6.39 H new ATOM 0 HG21 ILE A 318 -22.197 -7.119 -7.330 1.00 5.87 H new ATOM 0 HG22 ILE A 318 -22.444 -6.055 -5.925 1.00 5.87 H new ATOM 0 HG23 ILE A 318 -23.016 -7.739 -5.877 1.00 5.87 H new ATOM 0 HD11 ILE A 318 -25.528 -9.546 -7.914 1.00 6.93 H new ATOM 0 HD12 ILE A 318 -24.187 -9.208 -6.795 1.00 6.93 H new ATOM 0 HD13 ILE A 318 -25.825 -8.619 -6.425 1.00 6.93 H new ATOM 121 N ASN A 319 -24.215 -3.883 -5.482 1.00 4.90 N ATOM 122 CA ASN A 319 -23.526 -2.873 -4.685 1.00 4.82 C ATOM 123 C ASN A 319 -24.517 -1.882 -4.084 1.00 4.38 C ATOM 124 O ASN A 319 -24.980 -0.969 -4.766 1.00 4.39 O ATOM 125 CB ASN A 319 -22.505 -2.119 -5.543 1.00 5.38 C ATOM 126 CG ASN A 319 -21.402 -3.013 -6.071 1.00 6.06 C ATOM 127 OD1 ASN A 319 -21.534 -3.626 -7.134 1.00 6.44 O ATOM 128 ND2 ASN A 319 -20.294 -3.079 -5.349 1.00 6.59 N ATOM 0 H ASN A 319 -24.419 -3.593 -6.438 1.00 4.90 H new ATOM 0 HA ASN A 319 -23.007 -3.385 -3.875 1.00 4.82 H new ATOM 0 HB2 ASN A 319 -23.019 -1.651 -6.382 1.00 5.38 H new ATOM 0 HB3 ASN A 319 -22.063 -1.317 -4.952 1.00 5.38 H new ATOM 0 HD21 ASN A 319 -19.512 -3.651 -5.667 1.00 6.59 H new ATOM 0 HD22 ASN A 319 -20.223 -2.557 -4.475 1.00 6.59 H new ATOM 135 N PRO A 320 -24.848 -2.035 -2.794 1.00 4.41 N ATOM 136 CA PRO A 320 -25.789 -1.152 -2.113 1.00 4.37 C ATOM 137 C PRO A 320 -25.139 0.168 -1.700 1.00 4.34 C ATOM 138 O PRO A 320 -25.476 1.228 -2.235 1.00 4.65 O ATOM 139 CB PRO A 320 -26.218 -1.961 -0.875 1.00 4.92 C ATOM 140 CG PRO A 320 -25.517 -3.282 -0.972 1.00 5.28 C ATOM 141 CD PRO A 320 -24.352 -3.076 -1.893 1.00 4.99 C ATOM 0 HA PRO A 320 -26.624 -0.870 -2.754 1.00 4.37 H new ATOM 0 HB2 PRO A 320 -25.943 -1.442 0.043 1.00 4.92 H new ATOM 0 HB3 PRO A 320 -27.299 -2.095 -0.854 1.00 4.92 H new ATOM 0 HG2 PRO A 320 -25.182 -3.617 0.010 1.00 5.28 H new ATOM 0 HG3 PRO A 320 -26.187 -4.050 -1.359 1.00 5.28 H new ATOM 0 HD2 PRO A 320 -23.459 -2.757 -1.355 1.00 4.99 H new ATOM 0 HD3 PRO A 320 -24.091 -3.988 -2.430 1.00 4.99 H new ATOM 149 N ALA A 321 -24.181 0.084 -0.771 1.00 4.38 N ATOM 150 CA ALA A 321 -23.504 1.255 -0.217 1.00 4.73 C ATOM 151 C ALA A 321 -22.569 0.816 0.899 1.00 4.87 C ATOM 152 O ALA A 321 -21.490 1.376 1.089 1.00 4.83 O ATOM 153 CB ALA A 321 -24.503 2.274 0.318 1.00 5.47 C ATOM 0 H ALA A 321 -23.855 -0.801 -0.383 1.00 4.38 H new ATOM 0 HA ALA A 321 -22.934 1.731 -1.015 1.00 4.73 H new ATOM 0 HB1 ALA A 321 -23.966 3.132 0.723 1.00 5.47 H new ATOM 0 HB2 ALA A 321 -25.156 2.603 -0.491 1.00 5.47 H new ATOM 0 HB3 ALA A 321 -25.103 1.817 1.105 1.00 5.47 H new ATOM 159 N MET A 322 -22.990 -0.211 1.624 1.00 5.24 N ATOM 160 CA MET A 322 -22.205 -0.751 2.731 1.00 5.76 C ATOM 161 C MET A 322 -20.872 -1.312 2.234 1.00 5.34 C ATOM 162 O MET A 322 -19.841 -1.175 2.896 1.00 5.57 O ATOM 163 CB MET A 322 -23.005 -1.845 3.435 1.00 6.52 C ATOM 164 CG MET A 322 -22.385 -2.325 4.738 1.00 7.25 C ATOM 165 SD MET A 322 -23.377 -3.594 5.544 1.00 8.01 S ATOM 166 CE MET A 322 -22.560 -3.696 7.135 1.00 8.63 C ATOM 0 H MET A 322 -23.876 -0.691 1.466 1.00 5.24 H new ATOM 0 HA MET A 322 -21.991 0.055 3.433 1.00 5.76 H new ATOM 0 HB2 MET A 322 -24.009 -1.473 3.638 1.00 6.52 H new ATOM 0 HB3 MET A 322 -23.111 -2.695 2.760 1.00 6.52 H new ATOM 0 HG2 MET A 322 -21.388 -2.719 4.540 1.00 7.25 H new ATOM 0 HG3 MET A 322 -22.265 -1.478 5.414 1.00 7.25 H new ATOM 0 HE1 MET A 322 -23.059 -4.442 7.753 1.00 8.63 H new ATOM 0 HE2 MET A 322 -21.518 -3.982 6.991 1.00 8.63 H new ATOM 0 HE3 MET A 322 -22.605 -2.726 7.630 1.00 8.63 H new ATOM 176 N MET A 323 -20.898 -1.923 1.056 1.00 4.92 N ATOM 177 CA MET A 323 -19.685 -2.444 0.436 1.00 4.86 C ATOM 178 C MET A 323 -18.865 -1.298 -0.144 1.00 4.19 C ATOM 179 O MET A 323 -17.639 -1.372 -0.225 1.00 4.23 O ATOM 180 CB MET A 323 -20.034 -3.451 -0.669 1.00 5.17 C ATOM 181 CG MET A 323 -18.814 -4.061 -1.350 1.00 5.75 C ATOM 182 SD MET A 323 -19.242 -5.100 -2.761 1.00 6.61 S ATOM 183 CE MET A 323 -20.236 -6.362 -1.965 1.00 7.32 C ATOM 0 H MET A 323 -21.747 -2.070 0.510 1.00 4.92 H new ATOM 0 HA MET A 323 -19.097 -2.956 1.198 1.00 4.86 H new ATOM 0 HB2 MET A 323 -20.638 -4.251 -0.242 1.00 5.17 H new ATOM 0 HB3 MET A 323 -20.648 -2.954 -1.420 1.00 5.17 H new ATOM 0 HG2 MET A 323 -18.152 -3.261 -1.682 1.00 5.75 H new ATOM 0 HG3 MET A 323 -18.258 -4.654 -0.624 1.00 5.75 H new ATOM 0 HE1 MET A 323 -20.353 -7.211 -2.638 1.00 7.32 H new ATOM 0 HE2 MET A 323 -19.743 -6.689 -1.049 1.00 7.32 H new ATOM 0 HE3 MET A 323 -21.217 -5.953 -1.723 1.00 7.32 H new ATOM 193 N ALA A 324 -19.557 -0.231 -0.516 1.00 3.85 N ATOM 194 CA ALA A 324 -18.927 0.932 -1.118 1.00 3.64 C ATOM 195 C ALA A 324 -17.963 1.596 -0.141 1.00 3.69 C ATOM 196 O ALA A 324 -16.888 2.058 -0.528 1.00 3.64 O ATOM 197 CB ALA A 324 -19.991 1.910 -1.576 1.00 3.87 C ATOM 0 H ALA A 324 -20.568 -0.148 -0.409 1.00 3.85 H new ATOM 0 HA ALA A 324 -18.349 0.610 -1.984 1.00 3.64 H new ATOM 0 HB1 ALA A 324 -19.515 2.781 -2.027 1.00 3.87 H new ATOM 0 HB2 ALA A 324 -20.636 1.428 -2.311 1.00 3.87 H new ATOM 0 HB3 ALA A 324 -20.588 2.225 -0.720 1.00 3.87 H new ATOM 203 N ALA A 325 -18.345 1.625 1.131 1.00 4.10 N ATOM 204 CA ALA A 325 -17.489 2.176 2.176 1.00 4.50 C ATOM 205 C ALA A 325 -16.184 1.386 2.284 1.00 4.36 C ATOM 206 O ALA A 325 -15.118 1.950 2.532 1.00 4.39 O ATOM 207 CB ALA A 325 -18.219 2.174 3.506 1.00 5.40 C ATOM 0 H ALA A 325 -19.243 1.273 1.464 1.00 4.10 H new ATOM 0 HA ALA A 325 -17.243 3.204 1.911 1.00 4.50 H new ATOM 0 HB1 ALA A 325 -17.570 2.587 4.278 1.00 5.40 H new ATOM 0 HB2 ALA A 325 -19.121 2.781 3.427 1.00 5.40 H new ATOM 0 HB3 ALA A 325 -18.491 1.152 3.770 1.00 5.40 H new ATOM 213 N ALA A 326 -16.281 0.078 2.087 1.00 4.45 N ATOM 214 CA ALA A 326 -15.114 -0.796 2.122 1.00 4.76 C ATOM 215 C ALA A 326 -14.200 -0.523 0.931 1.00 4.25 C ATOM 216 O ALA A 326 -12.976 -0.487 1.068 1.00 4.39 O ATOM 217 CB ALA A 326 -15.543 -2.255 2.142 1.00 5.39 C ATOM 0 H ALA A 326 -17.160 -0.404 1.900 1.00 4.45 H new ATOM 0 HA ALA A 326 -14.556 -0.587 3.035 1.00 4.76 H new ATOM 0 HB1 ALA A 326 -14.660 -2.894 2.168 1.00 5.39 H new ATOM 0 HB2 ALA A 326 -16.153 -2.443 3.026 1.00 5.39 H new ATOM 0 HB3 ALA A 326 -16.124 -2.476 1.247 1.00 5.39 H new ATOM 223 N GLN A 327 -14.805 -0.323 -0.235 1.00 3.89 N ATOM 224 CA GLN A 327 -14.054 -0.055 -1.459 1.00 3.88 C ATOM 225 C GLN A 327 -13.251 1.238 -1.319 1.00 3.54 C ATOM 226 O GLN A 327 -12.096 1.316 -1.736 1.00 3.70 O ATOM 227 CB GLN A 327 -15.010 0.039 -2.650 1.00 4.13 C ATOM 228 CG GLN A 327 -15.903 -1.184 -2.809 1.00 4.57 C ATOM 229 CD GLN A 327 -16.869 -1.068 -3.971 1.00 5.04 C ATOM 230 OE1 GLN A 327 -17.269 0.150 -4.306 1.00 5.37 O flip ATOM 231 NE2 GLN A 327 -17.263 -2.072 -4.566 1.00 5.52 N flip ATOM 0 H GLN A 327 -15.817 -0.341 -0.360 1.00 3.89 H new ATOM 0 HA GLN A 327 -13.358 -0.876 -1.630 1.00 3.88 H new ATOM 0 HB2 GLN A 327 -15.636 0.924 -2.534 1.00 4.13 H new ATOM 0 HB3 GLN A 327 -14.429 0.176 -3.562 1.00 4.13 H new ATOM 0 HG2 GLN A 327 -15.279 -2.066 -2.950 1.00 4.57 H new ATOM 0 HG3 GLN A 327 -16.467 -1.336 -1.889 1.00 4.57 H new ATOM 0 HE21 GLN A 327 -16.935 -2.995 -4.282 1.00 5.52 H new ATOM 0 HE22 GLN A 327 -17.918 -1.980 -5.343 1.00 5.52 H new ATOM 240 N ALA A 328 -13.866 2.242 -0.701 1.00 3.40 N ATOM 241 CA ALA A 328 -13.209 3.523 -0.478 1.00 3.60 C ATOM 242 C ALA A 328 -12.069 3.391 0.530 1.00 3.61 C ATOM 243 O ALA A 328 -11.074 4.114 0.458 1.00 3.68 O ATOM 244 CB ALA A 328 -14.218 4.562 -0.008 1.00 4.16 C ATOM 0 H ALA A 328 -14.821 2.191 -0.345 1.00 3.40 H new ATOM 0 HA ALA A 328 -12.782 3.852 -1.425 1.00 3.60 H new ATOM 0 HB1 ALA A 328 -13.712 5.514 0.154 1.00 4.16 H new ATOM 0 HB2 ALA A 328 -14.991 4.687 -0.766 1.00 4.16 H new ATOM 0 HB3 ALA A 328 -14.674 4.230 0.925 1.00 4.16 H new ATOM 250 N ALA A 329 -12.203 2.446 1.453 1.00 3.87 N ATOM 251 CA ALA A 329 -11.199 2.242 2.486 1.00 4.31 C ATOM 252 C ALA A 329 -9.903 1.703 1.891 1.00 4.02 C ATOM 253 O ALA A 329 -8.816 2.201 2.192 1.00 4.18 O ATOM 254 CB ALA A 329 -11.731 1.299 3.556 1.00 5.14 C ATOM 0 H ALA A 329 -12.998 1.809 1.506 1.00 3.87 H new ATOM 0 HA ALA A 329 -10.980 3.206 2.946 1.00 4.31 H new ATOM 0 HB1 ALA A 329 -10.971 1.154 4.324 1.00 5.14 H new ATOM 0 HB2 ALA A 329 -12.625 1.728 4.007 1.00 5.14 H new ATOM 0 HB3 ALA A 329 -11.978 0.338 3.104 1.00 5.14 H new ATOM 260 N LEU A 330 -10.017 0.704 1.026 1.00 3.86 N ATOM 261 CA LEU A 330 -8.846 0.118 0.400 1.00 4.05 C ATOM 262 C LEU A 330 -8.268 1.063 -0.653 1.00 3.61 C ATOM 263 O LEU A 330 -7.062 1.065 -0.906 1.00 3.83 O ATOM 264 CB LEU A 330 -9.174 -1.259 -0.203 1.00 4.52 C ATOM 265 CG LEU A 330 -10.276 -1.291 -1.272 1.00 5.18 C ATOM 266 CD1 LEU A 330 -9.699 -1.044 -2.660 1.00 5.96 C ATOM 267 CD2 LEU A 330 -11.023 -2.615 -1.229 1.00 5.66 C ATOM 0 H LEU A 330 -10.904 0.286 0.745 1.00 3.86 H new ATOM 0 HA LEU A 330 -8.087 -0.032 1.168 1.00 4.05 H new ATOM 0 HB2 LEU A 330 -8.262 -1.667 -0.640 1.00 4.52 H new ATOM 0 HB3 LEU A 330 -9.465 -1.927 0.608 1.00 4.52 H new ATOM 0 HG LEU A 330 -10.982 -0.489 -1.054 1.00 5.18 H new ATOM 0 HD11 LEU A 330 -10.501 -1.072 -3.398 1.00 5.96 H new ATOM 0 HD12 LEU A 330 -9.217 -0.067 -2.685 1.00 5.96 H new ATOM 0 HD13 LEU A 330 -8.966 -1.816 -2.892 1.00 5.96 H new ATOM 0 HD21 LEU A 330 -11.800 -2.619 -1.993 1.00 5.66 H new ATOM 0 HD22 LEU A 330 -10.326 -3.432 -1.415 1.00 5.66 H new ATOM 0 HD23 LEU A 330 -11.479 -2.744 -0.247 1.00 5.66 H new ATOM 279 N GLN A 331 -9.138 1.881 -1.242 1.00 3.29 N ATOM 280 CA GLN A 331 -8.731 2.875 -2.232 1.00 3.38 C ATOM 281 C GLN A 331 -7.836 3.941 -1.594 1.00 3.36 C ATOM 282 O GLN A 331 -6.941 4.483 -2.236 1.00 3.53 O ATOM 283 CB GLN A 331 -9.975 3.521 -2.850 1.00 3.75 C ATOM 284 CG GLN A 331 -9.671 4.570 -3.903 1.00 4.36 C ATOM 285 CD GLN A 331 -10.930 5.170 -4.505 1.00 4.72 C ATOM 286 OE1 GLN A 331 -11.970 5.244 -3.854 1.00 5.26 O ATOM 287 NE2 GLN A 331 -10.840 5.608 -5.748 1.00 4.88 N ATOM 0 H GLN A 331 -10.139 1.874 -1.048 1.00 3.29 H new ATOM 0 HA GLN A 331 -8.157 2.379 -3.015 1.00 3.38 H new ATOM 0 HB2 GLN A 331 -10.592 2.741 -3.297 1.00 3.75 H new ATOM 0 HB3 GLN A 331 -10.565 3.979 -2.056 1.00 3.75 H new ATOM 0 HG2 GLN A 331 -9.071 5.364 -3.458 1.00 4.36 H new ATOM 0 HG3 GLN A 331 -9.071 4.122 -4.695 1.00 4.36 H new ATOM 0 HE21 GLN A 331 -9.958 5.528 -6.254 1.00 4.88 H new ATOM 0 HE22 GLN A 331 -11.652 6.026 -6.201 1.00 4.88 H new ATOM 296 N SER A 332 -8.090 4.235 -0.330 1.00 3.52 N ATOM 297 CA SER A 332 -7.290 5.208 0.404 1.00 4.01 C ATOM 298 C SER A 332 -6.021 4.559 0.953 1.00 4.13 C ATOM 299 O SER A 332 -5.031 5.237 1.223 1.00 4.40 O ATOM 300 CB SER A 332 -8.115 5.811 1.543 1.00 4.82 C ATOM 301 OG SER A 332 -7.371 6.778 2.268 1.00 5.25 O ATOM 0 H SER A 332 -8.845 3.814 0.212 1.00 3.52 H new ATOM 0 HA SER A 332 -6.997 6.004 -0.280 1.00 4.01 H new ATOM 0 HB2 SER A 332 -9.015 6.272 1.137 1.00 4.82 H new ATOM 0 HB3 SER A 332 -8.439 5.019 2.218 1.00 4.82 H new ATOM 0 HG SER A 332 -7.926 7.146 2.987 1.00 5.25 H new ATOM 307 N SER A 333 -6.070 3.247 1.120 1.00 4.24 N ATOM 308 CA SER A 333 -4.963 2.498 1.682 1.00 4.87 C ATOM 309 C SER A 333 -3.838 2.290 0.668 1.00 4.69 C ATOM 310 O SER A 333 -2.658 2.352 1.013 1.00 5.07 O ATOM 311 CB SER A 333 -5.456 1.154 2.207 1.00 5.50 C ATOM 312 OG SER A 333 -6.438 1.330 3.218 1.00 6.18 O ATOM 0 H SER A 333 -6.877 2.675 0.870 1.00 4.24 H new ATOM 0 HA SER A 333 -4.554 3.082 2.506 1.00 4.87 H new ATOM 0 HB2 SER A 333 -5.874 0.571 1.387 1.00 5.50 H new ATOM 0 HB3 SER A 333 -4.616 0.586 2.606 1.00 5.50 H new ATOM 0 HG SER A 333 -7.252 1.704 2.821 1.00 6.18 H new ATOM 318 N TRP A 334 -4.201 2.032 -0.579 1.00 4.36 N ATOM 319 CA TRP A 334 -3.217 1.757 -1.612 1.00 4.61 C ATOM 320 C TRP A 334 -3.195 2.890 -2.624 1.00 4.24 C ATOM 321 O TRP A 334 -4.194 3.578 -2.811 1.00 3.98 O ATOM 322 CB TRP A 334 -3.522 0.428 -2.306 1.00 5.51 C ATOM 323 CG TRP A 334 -3.443 -0.750 -1.380 1.00 6.03 C ATOM 324 CD1 TRP A 334 -4.469 -1.298 -0.665 1.00 6.54 C ATOM 325 CD2 TRP A 334 -2.279 -1.524 -1.072 1.00 6.46 C ATOM 326 NE1 TRP A 334 -4.010 -2.357 0.079 1.00 7.16 N ATOM 327 CE2 TRP A 334 -2.670 -2.519 -0.158 1.00 7.11 C ATOM 328 CE3 TRP A 334 -0.940 -1.473 -1.481 1.00 6.66 C ATOM 329 CZ2 TRP A 334 -1.774 -3.454 0.354 1.00 7.83 C ATOM 330 CZ3 TRP A 334 -0.054 -2.401 -0.969 1.00 7.45 C ATOM 331 CH2 TRP A 334 -0.474 -3.381 -0.063 1.00 7.97 C ATOM 0 H TRP A 334 -5.169 2.008 -0.899 1.00 4.36 H new ATOM 0 HA TRP A 334 -2.234 1.681 -1.146 1.00 4.61 H new ATOM 0 HB2 TRP A 334 -4.520 0.473 -2.743 1.00 5.51 H new ATOM 0 HB3 TRP A 334 -2.821 0.284 -3.128 1.00 5.51 H new ATOM 0 HD1 TRP A 334 -5.491 -0.950 -0.682 1.00 6.54 H new ATOM 0 HE1 TRP A 334 -4.575 -2.930 0.706 1.00 7.16 H new ATOM 0 HE3 TRP A 334 -0.607 -0.723 -2.183 1.00 6.66 H new ATOM 0 HZ2 TRP A 334 -2.095 -4.210 1.056 1.00 7.83 H new ATOM 0 HZ3 TRP A 334 0.982 -2.369 -1.274 1.00 7.45 H new ATOM 0 HH2 TRP A 334 0.243 -4.094 0.315 1.00 7.97 H new ATOM 342 N GLY A 335 -2.055 3.075 -3.268 1.00 4.55 N ATOM 343 CA GLY A 335 -1.884 4.207 -4.155 1.00 4.68 C ATOM 344 C GLY A 335 -1.391 5.427 -3.404 1.00 4.16 C ATOM 345 O GLY A 335 -1.620 6.564 -3.815 1.00 4.48 O ATOM 0 H GLY A 335 -1.243 2.462 -3.193 1.00 4.55 H new ATOM 0 HA2 GLY A 335 -1.175 3.951 -4.942 1.00 4.68 H new ATOM 0 HA3 GLY A 335 -2.832 4.436 -4.642 1.00 4.68 H new ATOM 349 N MET A 336 -0.712 5.180 -2.293 1.00 3.70 N ATOM 350 CA MET A 336 -0.175 6.249 -1.467 1.00 3.47 C ATOM 351 C MET A 336 1.163 6.717 -2.011 1.00 3.74 C ATOM 352 O MET A 336 1.902 5.942 -2.620 1.00 4.01 O ATOM 353 CB MET A 336 -0.004 5.773 -0.026 1.00 3.41 C ATOM 354 CG MET A 336 -1.312 5.454 0.684 1.00 3.73 C ATOM 355 SD MET A 336 -1.061 4.898 2.382 1.00 4.20 S ATOM 356 CE MET A 336 -0.317 6.359 3.112 1.00 5.08 C ATOM 0 H MET A 336 -0.520 4.242 -1.942 1.00 3.70 H new ATOM 0 HA MET A 336 -0.878 7.082 -1.486 1.00 3.47 H new ATOM 0 HB2 MET A 336 0.626 4.883 -0.021 1.00 3.41 H new ATOM 0 HB3 MET A 336 0.525 6.541 0.538 1.00 3.41 H new ATOM 0 HG2 MET A 336 -1.946 6.341 0.686 1.00 3.73 H new ATOM 0 HG3 MET A 336 -1.844 4.683 0.128 1.00 3.73 H new ATOM 0 HE1 MET A 336 -0.426 6.320 4.196 1.00 5.08 H new ATOM 0 HE2 MET A 336 0.742 6.396 2.855 1.00 5.08 H new ATOM 0 HE3 MET A 336 -0.814 7.250 2.730 1.00 5.08 H new ATOM 366 N MET A 337 1.459 7.990 -1.799 1.00 4.13 N ATOM 367 CA MET A 337 2.716 8.572 -2.245 1.00 4.69 C ATOM 368 C MET A 337 3.871 8.034 -1.406 1.00 4.24 C ATOM 369 O MET A 337 3.849 8.103 -0.177 1.00 3.85 O ATOM 370 CB MET A 337 2.653 10.099 -2.141 1.00 5.56 C ATOM 371 CG MET A 337 3.881 10.806 -2.697 1.00 6.32 C ATOM 372 SD MET A 337 4.124 10.508 -4.459 1.00 7.23 S ATOM 373 CE MET A 337 2.602 11.173 -5.126 1.00 8.06 C ATOM 0 H MET A 337 0.841 8.644 -1.318 1.00 4.13 H new ATOM 0 HA MET A 337 2.883 8.297 -3.286 1.00 4.69 H new ATOM 0 HB2 MET A 337 1.770 10.453 -2.673 1.00 5.56 H new ATOM 0 HB3 MET A 337 2.528 10.377 -1.095 1.00 5.56 H new ATOM 0 HG2 MET A 337 3.786 11.878 -2.525 1.00 6.32 H new ATOM 0 HG3 MET A 337 4.764 10.472 -2.152 1.00 6.32 H new ATOM 0 HE1 MET A 337 2.740 11.409 -6.181 1.00 8.06 H new ATOM 0 HE2 MET A 337 1.806 10.436 -5.020 1.00 8.06 H new ATOM 0 HE3 MET A 337 2.333 12.079 -4.584 1.00 8.06 H new ATOM 383 N GLY A 338 4.885 7.516 -2.092 1.00 4.64 N ATOM 384 CA GLY A 338 6.023 6.900 -1.433 1.00 4.49 C ATOM 385 C GLY A 338 6.788 7.878 -0.580 1.00 4.59 C ATOM 386 O GLY A 338 7.314 7.521 0.474 1.00 4.39 O ATOM 0 H GLY A 338 4.938 7.513 -3.111 1.00 4.64 H new ATOM 0 HA2 GLY A 338 5.677 6.073 -0.813 1.00 4.49 H new ATOM 0 HA3 GLY A 338 6.690 6.477 -2.184 1.00 4.49 H new ATOM 390 N MET A 339 6.864 9.114 -1.056 1.00 5.28 N ATOM 391 CA MET A 339 7.573 10.176 -0.356 1.00 5.81 C ATOM 392 C MET A 339 7.032 10.385 1.062 1.00 5.61 C ATOM 393 O MET A 339 7.731 10.911 1.928 1.00 6.06 O ATOM 394 CB MET A 339 7.478 11.491 -1.137 1.00 6.87 C ATOM 395 CG MET A 339 8.137 11.448 -2.507 1.00 7.56 C ATOM 396 SD MET A 339 7.961 13.001 -3.409 1.00 8.38 S ATOM 397 CE MET A 339 8.825 12.597 -4.925 1.00 9.13 C ATOM 0 H MET A 339 6.438 9.407 -1.935 1.00 5.28 H new ATOM 0 HA MET A 339 8.616 9.869 -0.281 1.00 5.81 H new ATOM 0 HB2 MET A 339 6.427 11.754 -1.259 1.00 6.87 H new ATOM 0 HB3 MET A 339 7.939 12.285 -0.549 1.00 6.87 H new ATOM 0 HG2 MET A 339 9.196 11.218 -2.390 1.00 7.56 H new ATOM 0 HG3 MET A 339 7.698 10.640 -3.092 1.00 7.56 H new ATOM 0 HE1 MET A 339 8.807 13.457 -5.594 1.00 9.13 H new ATOM 0 HE2 MET A 339 9.858 12.337 -4.696 1.00 9.13 H new ATOM 0 HE3 MET A 339 8.336 11.751 -5.408 1.00 9.13 H new ATOM 407 N LEU A 340 5.791 9.965 1.303 1.00 5.18 N ATOM 408 CA LEU A 340 5.176 10.109 2.618 1.00 5.41 C ATOM 409 C LEU A 340 5.809 9.154 3.626 1.00 5.02 C ATOM 410 O LEU A 340 5.708 9.357 4.835 1.00 5.64 O ATOM 411 CB LEU A 340 3.668 9.867 2.546 1.00 5.55 C ATOM 412 CG LEU A 340 2.893 10.811 1.624 1.00 6.05 C ATOM 413 CD1 LEU A 340 1.413 10.460 1.639 1.00 6.16 C ATOM 414 CD2 LEU A 340 3.105 12.259 2.040 1.00 7.07 C ATOM 0 H LEU A 340 5.194 9.523 0.604 1.00 5.18 H new ATOM 0 HA LEU A 340 5.350 11.132 2.952 1.00 5.41 H new ATOM 0 HB2 LEU A 340 3.497 8.843 2.215 1.00 5.55 H new ATOM 0 HB3 LEU A 340 3.256 9.950 3.552 1.00 5.55 H new ATOM 0 HG LEU A 340 3.268 10.692 0.608 1.00 6.05 H new ATOM 0 HD11 LEU A 340 0.872 11.138 0.979 1.00 6.16 H new ATOM 0 HD12 LEU A 340 1.279 9.435 1.295 1.00 6.16 H new ATOM 0 HD13 LEU A 340 1.027 10.555 2.654 1.00 6.16 H new ATOM 0 HD21 LEU A 340 2.546 12.915 1.373 1.00 7.07 H new ATOM 0 HD22 LEU A 340 2.755 12.399 3.063 1.00 7.07 H new ATOM 0 HD23 LEU A 340 4.166 12.502 1.983 1.00 7.07 H new ATOM 426 N ALA A 341 6.471 8.121 3.124 1.00 4.36 N ATOM 427 CA ALA A 341 7.134 7.148 3.980 1.00 4.43 C ATOM 428 C ALA A 341 8.648 7.309 3.884 1.00 4.77 C ATOM 429 O ALA A 341 9.405 6.363 4.115 1.00 5.40 O ATOM 430 CB ALA A 341 6.718 5.739 3.591 1.00 4.13 C ATOM 0 H ALA A 341 6.563 7.935 2.125 1.00 4.36 H new ATOM 0 HA ALA A 341 6.834 7.323 5.013 1.00 4.43 H new ATOM 0 HB1 ALA A 341 7.220 5.020 4.238 1.00 4.13 H new ATOM 0 HB2 ALA A 341 5.639 5.635 3.701 1.00 4.13 H new ATOM 0 HB3 ALA A 341 6.996 5.551 2.554 1.00 4.13 H new ATOM 436 N SER A 342 9.082 8.509 3.528 1.00 4.71 N ATOM 437 CA SER A 342 10.497 8.795 3.383 1.00 5.21 C ATOM 438 C SER A 342 10.869 10.044 4.181 1.00 4.78 C ATOM 439 O SER A 342 10.866 11.158 3.651 1.00 4.60 O ATOM 440 CB SER A 342 10.843 8.976 1.897 1.00 5.76 C ATOM 441 OG SER A 342 12.243 8.957 1.681 1.00 6.25 O ATOM 0 H SER A 342 8.470 9.302 3.334 1.00 4.71 H new ATOM 0 HA SER A 342 11.073 7.956 3.775 1.00 5.21 H new ATOM 0 HB2 SER A 342 10.374 8.183 1.314 1.00 5.76 H new ATOM 0 HB3 SER A 342 10.432 9.920 1.540 1.00 5.76 H new ATOM 0 HG SER A 342 12.674 9.607 2.274 1.00 6.25 H new ATOM 447 N ARG A 343 11.168 9.857 5.459 1.00 4.96 N ATOM 448 CA ARG A 343 11.579 10.959 6.316 1.00 4.86 C ATOM 449 C ARG A 343 13.082 11.176 6.175 1.00 4.76 C ATOM 450 O ARG A 343 13.880 10.349 6.612 1.00 5.40 O ATOM 451 CB ARG A 343 11.205 10.662 7.772 1.00 5.67 C ATOM 452 CG ARG A 343 11.527 11.791 8.739 1.00 6.12 C ATOM 453 CD ARG A 343 11.027 11.476 10.138 1.00 6.82 C ATOM 454 NE ARG A 343 9.566 11.381 10.191 1.00 7.18 N ATOM 455 CZ ARG A 343 8.908 10.464 10.896 1.00 7.92 C ATOM 456 NH1 ARG A 343 9.571 9.533 11.569 1.00 8.35 N ATOM 457 NH2 ARG A 343 7.577 10.466 10.906 1.00 8.49 N ATOM 0 H ARG A 343 11.133 8.951 5.925 1.00 4.96 H new ATOM 0 HA ARG A 343 11.062 11.870 6.013 1.00 4.86 H new ATOM 0 HB2 ARG A 343 10.138 10.446 7.825 1.00 5.67 H new ATOM 0 HB3 ARG A 343 11.729 9.762 8.094 1.00 5.67 H new ATOM 0 HG2 ARG A 343 12.604 11.956 8.764 1.00 6.12 H new ATOM 0 HG3 ARG A 343 11.071 12.716 8.387 1.00 6.12 H new ATOM 0 HD2 ARG A 343 11.464 10.536 10.476 1.00 6.82 H new ATOM 0 HD3 ARG A 343 11.365 12.250 10.827 1.00 6.82 H new ATOM 0 HE ARG A 343 9.021 12.057 9.656 1.00 7.18 H new ATOM 0 HH11 ARG A 343 10.591 9.517 11.548 1.00 8.35 H new ATOM 0 HH12 ARG A 343 9.061 8.833 12.108 1.00 8.35 H new ATOM 0 HH21 ARG A 343 7.064 11.169 10.374 1.00 8.49 H new ATOM 0 HH22 ARG A 343 7.070 9.764 11.445 1.00 8.49 H new ATOM 471 N GLN A 344 13.458 12.283 5.555 1.00 4.30 N ATOM 472 CA GLN A 344 14.856 12.543 5.233 1.00 4.47 C ATOM 473 C GLN A 344 15.549 13.294 6.363 1.00 4.38 C ATOM 474 O GLN A 344 14.952 14.153 7.010 1.00 4.22 O ATOM 475 CB GLN A 344 14.952 13.356 3.938 1.00 4.62 C ATOM 476 CG GLN A 344 14.234 12.717 2.757 1.00 5.14 C ATOM 477 CD GLN A 344 14.759 11.335 2.430 1.00 5.62 C ATOM 478 OE1 GLN A 344 14.265 10.334 2.943 1.00 6.10 O ATOM 479 NE2 GLN A 344 15.770 11.272 1.581 1.00 5.93 N ATOM 0 H GLN A 344 12.815 13.019 5.263 1.00 4.30 H new ATOM 0 HA GLN A 344 15.357 11.584 5.100 1.00 4.47 H new ATOM 0 HB2 GLN A 344 14.535 14.348 4.111 1.00 4.62 H new ATOM 0 HB3 GLN A 344 16.003 13.492 3.682 1.00 4.62 H new ATOM 0 HG2 GLN A 344 13.168 12.653 2.977 1.00 5.14 H new ATOM 0 HG3 GLN A 344 14.341 13.358 1.882 1.00 5.14 H new ATOM 0 HE21 GLN A 344 16.151 12.128 1.177 1.00 5.93 H new ATOM 0 HE22 GLN A 344 16.169 10.368 1.329 1.00 5.93 H new ATOM 488 N ASN A 345 16.810 12.964 6.596 1.00 4.85 N ATOM 489 CA ASN A 345 17.607 13.656 7.594 1.00 4.99 C ATOM 490 C ASN A 345 18.496 14.686 6.911 1.00 4.91 C ATOM 491 O ASN A 345 19.024 14.437 5.824 1.00 5.29 O ATOM 492 CB ASN A 345 18.457 12.659 8.392 1.00 5.88 C ATOM 493 CG ASN A 345 19.222 13.321 9.528 1.00 6.35 C ATOM 494 OD1 ASN A 345 18.775 14.314 10.103 1.00 6.50 O ATOM 495 ND2 ASN A 345 20.370 12.761 9.875 1.00 6.96 N ATOM 0 H ASN A 345 17.304 12.219 6.105 1.00 4.85 H new ATOM 0 HA ASN A 345 16.940 14.165 8.290 1.00 4.99 H new ATOM 0 HB2 ASN A 345 17.811 11.881 8.799 1.00 5.88 H new ATOM 0 HB3 ASN A 345 19.162 12.169 7.721 1.00 5.88 H new ATOM 0 HD21 ASN A 345 20.917 13.152 10.643 1.00 6.96 H new ATOM 0 HD22 ASN A 345 20.708 11.939 9.375 1.00 6.96 H new ATOM 502 N GLN A 346 18.652 15.845 7.532 1.00 4.79 N ATOM 503 CA GLN A 346 19.435 16.918 6.941 1.00 5.00 C ATOM 504 C GLN A 346 20.892 16.813 7.383 1.00 5.26 C ATOM 505 O GLN A 346 21.178 16.319 8.474 1.00 5.28 O ATOM 506 CB GLN A 346 18.859 18.280 7.333 1.00 5.09 C ATOM 507 CG GLN A 346 18.714 19.243 6.161 1.00 5.54 C ATOM 508 CD GLN A 346 20.026 19.501 5.447 1.00 5.92 C ATOM 509 OE1 GLN A 346 20.376 18.803 4.494 1.00 6.41 O ATOM 510 NE2 GLN A 346 20.776 20.477 5.924 1.00 6.10 N ATOM 0 H GLN A 346 18.248 16.066 8.442 1.00 4.79 H new ATOM 0 HA GLN A 346 19.390 16.823 5.856 1.00 5.00 H new ATOM 0 HB2 GLN A 346 17.882 18.133 7.794 1.00 5.09 H new ATOM 0 HB3 GLN A 346 19.502 18.733 8.087 1.00 5.09 H new ATOM 0 HG2 GLN A 346 17.993 18.838 5.451 1.00 5.54 H new ATOM 0 HG3 GLN A 346 18.310 20.189 6.522 1.00 5.54 H new ATOM 0 HE21 GLN A 346 20.449 21.032 6.715 1.00 6.10 H new ATOM 0 HE22 GLN A 346 21.683 20.677 5.501 1.00 6.10 H new ATOM 519 N SER A 347 21.798 17.277 6.521 1.00 5.76 N ATOM 520 CA SER A 347 23.235 17.193 6.765 1.00 6.15 C ATOM 521 C SER A 347 23.687 15.735 6.818 1.00 5.87 C ATOM 522 O SER A 347 24.600 15.378 7.567 1.00 6.25 O ATOM 523 CB SER A 347 23.611 17.934 8.054 1.00 6.93 C ATOM 524 OG SER A 347 23.246 19.305 7.980 1.00 7.46 O ATOM 0 H SER A 347 21.555 17.721 5.635 1.00 5.76 H new ATOM 0 HA SER A 347 23.753 17.677 5.937 1.00 6.15 H new ATOM 0 HB2 SER A 347 23.113 17.467 8.904 1.00 6.93 H new ATOM 0 HB3 SER A 347 24.684 17.849 8.227 1.00 6.93 H new ATOM 0 HG SER A 347 23.495 19.755 8.814 1.00 7.46 H new ATOM 530 N GLY A 348 23.049 14.902 5.999 1.00 5.53 N ATOM 531 CA GLY A 348 23.359 13.488 5.976 1.00 5.54 C ATOM 532 C GLY A 348 24.753 13.202 5.454 1.00 5.59 C ATOM 533 O GLY A 348 25.236 13.899 4.561 1.00 5.68 O ATOM 0 H GLY A 348 22.318 15.187 5.347 1.00 5.53 H new ATOM 0 HA2 GLY A 348 23.263 13.083 6.983 1.00 5.54 H new ATOM 0 HA3 GLY A 348 22.629 12.971 5.353 1.00 5.54 H new ATOM 537 N PRO A 349 25.419 12.165 5.988 1.00 5.91 N ATOM 538 CA PRO A 349 26.787 11.803 5.594 1.00 6.29 C ATOM 539 C PRO A 349 26.882 11.413 4.121 1.00 6.35 C ATOM 540 O PRO A 349 27.933 11.567 3.496 1.00 6.32 O ATOM 541 CB PRO A 349 27.124 10.609 6.493 1.00 6.89 C ATOM 542 CG PRO A 349 25.810 10.083 6.957 1.00 6.91 C ATOM 543 CD PRO A 349 24.888 11.266 7.022 1.00 6.34 C ATOM 0 HA PRO A 349 27.476 12.640 5.711 1.00 6.29 H new ATOM 0 HB2 PRO A 349 27.681 9.849 5.945 1.00 6.89 H new ATOM 0 HB3 PRO A 349 27.745 10.914 7.335 1.00 6.89 H new ATOM 0 HG2 PRO A 349 25.428 9.328 6.270 1.00 6.91 H new ATOM 0 HG3 PRO A 349 25.903 9.607 7.933 1.00 6.91 H new ATOM 0 HD2 PRO A 349 23.855 10.983 6.818 1.00 6.34 H new ATOM 0 HD3 PRO A 349 24.901 11.733 8.007 1.00 6.34 H new ATOM 551 N SER A 350 25.783 10.907 3.576 1.00 6.79 N ATOM 552 CA SER A 350 25.726 10.527 2.174 1.00 7.31 C ATOM 553 C SER A 350 25.462 11.760 1.308 1.00 7.44 C ATOM 554 O SER A 350 26.053 11.921 0.237 1.00 7.86 O ATOM 555 CB SER A 350 24.629 9.471 1.969 1.00 8.11 C ATOM 556 OG SER A 350 24.544 9.051 0.618 1.00 8.24 O ATOM 0 H SER A 350 24.915 10.750 4.089 1.00 6.79 H new ATOM 0 HA SER A 350 26.682 10.098 1.875 1.00 7.31 H new ATOM 0 HB2 SER A 350 24.832 8.609 2.605 1.00 8.11 H new ATOM 0 HB3 SER A 350 23.669 9.880 2.283 1.00 8.11 H new ATOM 0 HG SER A 350 23.837 8.379 0.528 1.00 8.24 H new ATOM 562 N GLY A 351 24.578 12.630 1.791 1.00 7.35 N ATOM 563 CA GLY A 351 24.243 13.848 1.074 1.00 7.72 C ATOM 564 C GLY A 351 25.416 14.801 0.964 1.00 7.36 C ATOM 565 O GLY A 351 25.569 15.499 -0.043 1.00 7.91 O ATOM 0 H GLY A 351 24.084 12.510 2.675 1.00 7.35 H new ATOM 0 HA2 GLY A 351 23.893 13.592 0.074 1.00 7.72 H new ATOM 0 HA3 GLY A 351 23.419 14.349 1.582 1.00 7.72 H new ATOM 569 N ASN A 352 26.236 14.844 2.001 1.00 6.68 N ATOM 570 CA ASN A 352 27.430 15.679 1.993 1.00 6.65 C ATOM 571 C ASN A 352 28.513 15.059 1.122 1.00 6.74 C ATOM 572 O ASN A 352 28.805 13.867 1.231 1.00 7.00 O ATOM 573 CB ASN A 352 27.966 15.889 3.413 1.00 6.99 C ATOM 574 CG ASN A 352 27.074 16.780 4.261 1.00 7.28 C ATOM 575 OD1 ASN A 352 26.380 17.659 3.749 1.00 7.60 O ATOM 576 ND2 ASN A 352 27.095 16.565 5.567 1.00 7.53 N ATOM 0 H ASN A 352 26.098 14.311 2.860 1.00 6.68 H new ATOM 0 HA ASN A 352 27.152 16.648 1.579 1.00 6.65 H new ATOM 0 HB2 ASN A 352 28.072 14.921 3.902 1.00 6.99 H new ATOM 0 HB3 ASN A 352 28.962 16.329 3.358 1.00 6.99 H new ATOM 0 HD21 ASN A 352 26.523 17.138 6.187 1.00 7.53 H new ATOM 0 HD22 ASN A 352 27.683 15.827 5.953 1.00 7.53 H new ATOM 583 N ASN A 353 29.095 15.865 0.246 1.00 6.86 N ATOM 584 CA ASN A 353 30.186 15.408 -0.611 1.00 7.25 C ATOM 585 C ASN A 353 31.516 15.886 -0.046 1.00 7.06 C ATOM 586 O ASN A 353 32.579 15.615 -0.610 1.00 7.25 O ATOM 587 CB ASN A 353 30.005 15.910 -2.054 1.00 8.01 C ATOM 588 CG ASN A 353 30.137 17.419 -2.186 1.00 8.61 C ATOM 589 OD1 ASN A 353 29.158 18.157 -2.062 1.00 8.84 O ATOM 590 ND2 ASN A 353 31.346 17.888 -2.449 1.00 9.15 N ATOM 0 H ASN A 353 28.831 16.841 0.108 1.00 6.86 H new ATOM 0 HA ASN A 353 30.175 14.318 -0.634 1.00 7.25 H new ATOM 0 HB2 ASN A 353 30.745 15.430 -2.694 1.00 8.01 H new ATOM 0 HB3 ASN A 353 29.024 15.605 -2.417 1.00 8.01 H new ATOM 0 HD21 ASN A 353 31.491 18.892 -2.556 1.00 9.15 H new ATOM 0 HD22 ASN A 353 32.133 17.246 -2.545 1.00 9.15 H new ATOM 597 N GLN A 354 31.435 16.588 1.086 1.00 6.98 N ATOM 598 CA GLN A 354 32.607 17.124 1.776 1.00 7.10 C ATOM 599 C GLN A 354 33.263 18.244 0.969 1.00 7.21 C ATOM 600 O GLN A 354 32.670 18.772 0.029 1.00 7.45 O ATOM 601 CB GLN A 354 33.622 16.014 2.078 1.00 7.49 C ATOM 602 CG GLN A 354 33.125 14.993 3.089 1.00 7.80 C ATOM 603 CD GLN A 354 34.075 13.826 3.255 1.00 8.26 C ATOM 604 OE1 GLN A 354 34.764 13.428 2.312 1.00 8.50 O ATOM 605 NE2 GLN A 354 34.126 13.274 4.455 1.00 8.68 N ATOM 0 H GLN A 354 30.552 16.801 1.550 1.00 6.98 H new ATOM 0 HA GLN A 354 32.266 17.545 2.722 1.00 7.10 H new ATOM 0 HB2 GLN A 354 33.874 15.501 1.150 1.00 7.49 H new ATOM 0 HB3 GLN A 354 34.541 16.465 2.452 1.00 7.49 H new ATOM 0 HG2 GLN A 354 32.984 15.481 4.053 1.00 7.80 H new ATOM 0 HG3 GLN A 354 32.150 14.621 2.774 1.00 7.80 H new ATOM 0 HE21 GLN A 354 33.539 13.634 5.207 1.00 8.68 H new ATOM 0 HE22 GLN A 354 34.752 12.488 4.629 1.00 8.68 H new ATOM 614 N ASN A 355 34.475 18.616 1.358 1.00 7.39 N ATOM 615 CA ASN A 355 35.224 19.656 0.657 1.00 7.86 C ATOM 616 C ASN A 355 35.580 19.215 -0.764 1.00 7.88 C ATOM 617 O ASN A 355 35.535 20.010 -1.701 1.00 8.43 O ATOM 618 CB ASN A 355 36.493 20.015 1.446 1.00 8.36 C ATOM 619 CG ASN A 355 37.464 20.875 0.656 1.00 9.04 C ATOM 620 OD1 ASN A 355 38.386 20.363 0.017 1.00 9.34 O ATOM 621 ND2 ASN A 355 37.271 22.183 0.697 1.00 9.55 N ATOM 0 H ASN A 355 34.964 18.213 2.157 1.00 7.39 H new ATOM 0 HA ASN A 355 34.593 20.542 0.583 1.00 7.86 H new ATOM 0 HB2 ASN A 355 36.210 20.541 2.358 1.00 8.36 H new ATOM 0 HB3 ASN A 355 36.996 19.097 1.751 1.00 8.36 H new ATOM 0 HD21 ASN A 355 37.897 22.807 0.188 1.00 9.55 H new ATOM 0 HD22 ASN A 355 36.496 22.567 1.238 1.00 9.55 H new ATOM 628 N GLN A 356 35.904 17.939 -0.923 1.00 7.55 N ATOM 629 CA GLN A 356 36.288 17.410 -2.227 1.00 7.79 C ATOM 630 C GLN A 356 35.091 17.378 -3.169 1.00 7.86 C ATOM 631 O GLN A 356 34.132 16.630 -2.964 1.00 8.00 O ATOM 632 CB GLN A 356 36.905 16.022 -2.077 1.00 8.09 C ATOM 633 CG GLN A 356 38.212 16.031 -1.297 1.00 8.51 C ATOM 634 CD GLN A 356 39.300 16.844 -1.979 1.00 8.98 C ATOM 635 OE1 GLN A 356 40.078 16.316 -2.774 1.00 9.12 O ATOM 636 NE2 GLN A 356 39.365 18.131 -1.671 1.00 9.48 N ATOM 0 H GLN A 356 35.909 17.252 -0.169 1.00 7.55 H new ATOM 0 HA GLN A 356 37.038 18.070 -2.662 1.00 7.79 H new ATOM 0 HB2 GLN A 356 36.193 15.367 -1.574 1.00 8.09 H new ATOM 0 HB3 GLN A 356 37.082 15.601 -3.067 1.00 8.09 H new ATOM 0 HG2 GLN A 356 38.033 16.436 -0.301 1.00 8.51 H new ATOM 0 HG3 GLN A 356 38.559 15.006 -1.166 1.00 8.51 H new ATOM 0 HE21 GLN A 356 38.702 18.531 -1.007 1.00 9.48 H new ATOM 0 HE22 GLN A 356 40.078 18.722 -2.098 1.00 9.48 H new ATOM 645 N GLY A 357 35.157 18.204 -4.198 1.00 8.09 N ATOM 646 CA GLY A 357 34.055 18.339 -5.124 1.00 8.52 C ATOM 647 C GLY A 357 33.423 19.712 -5.037 1.00 8.74 C ATOM 648 O GLY A 357 32.556 20.061 -5.836 1.00 9.34 O ATOM 0 H GLY A 357 35.964 18.790 -4.411 1.00 8.09 H new ATOM 0 HA2 GLY A 357 34.408 18.164 -6.140 1.00 8.52 H new ATOM 0 HA3 GLY A 357 33.304 17.578 -4.912 1.00 8.52 H new ATOM 652 N ASN A 358 33.863 20.489 -4.060 1.00 8.53 N ATOM 653 CA ASN A 358 33.372 21.846 -3.869 1.00 9.03 C ATOM 654 C ASN A 358 34.552 22.785 -3.637 1.00 9.56 C ATOM 655 O ASN A 358 35.249 22.675 -2.632 1.00 9.97 O ATOM 656 CB ASN A 358 32.408 21.896 -2.674 1.00 8.90 C ATOM 657 CG ASN A 358 31.771 23.263 -2.477 1.00 9.11 C ATOM 658 OD1 ASN A 358 31.516 23.684 -1.347 1.00 9.38 O ATOM 659 ND2 ASN A 358 31.474 23.949 -3.573 1.00 9.24 N ATOM 0 H ASN A 358 34.566 20.200 -3.380 1.00 8.53 H new ATOM 0 HA ASN A 358 32.832 22.163 -4.761 1.00 9.03 H new ATOM 0 HB2 ASN A 358 31.623 21.153 -2.817 1.00 8.90 H new ATOM 0 HB3 ASN A 358 32.947 21.619 -1.768 1.00 8.90 H new ATOM 0 HD21 ASN A 358 31.019 24.859 -3.498 1.00 9.24 H new ATOM 0 HD22 ASN A 358 31.701 23.567 -4.491 1.00 9.24 H new ATOM 666 N MET A 359 34.789 23.696 -4.569 1.00 9.75 N ATOM 667 CA MET A 359 35.938 24.586 -4.468 1.00 10.44 C ATOM 668 C MET A 359 35.723 25.616 -3.370 1.00 10.94 C ATOM 669 O MET A 359 34.974 26.582 -3.532 1.00 10.94 O ATOM 670 CB MET A 359 36.203 25.272 -5.810 1.00 10.66 C ATOM 671 CG MET A 359 37.358 26.259 -5.776 1.00 10.96 C ATOM 672 SD MET A 359 38.875 25.547 -5.103 1.00 11.53 S ATOM 673 CE MET A 359 39.169 24.203 -6.256 1.00 12.03 C ATOM 0 H MET A 359 34.209 23.839 -5.396 1.00 9.75 H new ATOM 0 HA MET A 359 36.813 23.991 -4.209 1.00 10.44 H new ATOM 0 HB2 MET A 359 36.410 24.511 -6.562 1.00 10.66 H new ATOM 0 HB3 MET A 359 35.300 25.794 -6.125 1.00 10.66 H new ATOM 0 HG2 MET A 359 37.550 26.620 -6.786 1.00 10.96 H new ATOM 0 HG3 MET A 359 37.072 27.124 -5.177 1.00 10.96 H new ATOM 0 HE1 MET A 359 40.166 23.794 -6.092 1.00 12.03 H new ATOM 0 HE2 MET A 359 38.426 23.421 -6.100 1.00 12.03 H new ATOM 0 HE3 MET A 359 39.094 24.577 -7.277 1.00 12.03 H new ATOM 683 N GLN A 360 36.398 25.404 -2.252 1.00 11.57 N ATOM 684 CA GLN A 360 36.285 26.279 -1.104 1.00 12.30 C ATOM 685 C GLN A 360 37.619 26.962 -0.857 1.00 12.97 C ATOM 686 O GLN A 360 37.858 28.031 -1.457 1.00 13.47 O ATOM 687 CB GLN A 360 35.860 25.483 0.133 1.00 12.66 C ATOM 688 CG GLN A 360 34.609 24.651 -0.080 1.00 12.82 C ATOM 689 CD GLN A 360 34.247 23.821 1.134 1.00 13.18 C ATOM 690 OE1 GLN A 360 35.111 23.425 1.919 1.00 13.44 O ATOM 691 NE2 GLN A 360 32.967 23.533 1.286 1.00 13.37 N ATOM 692 OXT GLN A 360 38.440 26.408 -0.095 1.00 13.14 O ATOM 0 H GLN A 360 37.038 24.621 -2.118 1.00 11.57 H new ATOM 0 HA GLN A 360 35.525 27.034 -1.303 1.00 12.30 H new ATOM 0 HB2 GLN A 360 36.677 24.826 0.430 1.00 12.66 H new ATOM 0 HB3 GLN A 360 35.690 26.174 0.959 1.00 12.66 H new ATOM 0 HG2 GLN A 360 33.776 25.310 -0.326 1.00 12.82 H new ATOM 0 HG3 GLN A 360 34.757 23.992 -0.935 1.00 12.82 H new ATOM 0 HE21 GLN A 360 32.283 23.880 0.614 1.00 13.37 H new ATOM 0 HE22 GLN A 360 32.663 22.963 2.076 1.00 13.37 H new TER 701 GLN A 360