USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=14 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 356 GLN : amide:sc= -1.09 X(o=-1.2,f=-0.86) USER MOD Set 1.2: A 359 MET CE :methyl -111:sc= -0.113 (180deg=-0.602) 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 -114:sc= 1.22 USER MOD Single : A 319 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 322 MET CE :methyl -158:sc= -0.108 (180deg=-0.712) USER MOD Single : A 323 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 327 GLN : amide:sc= -0.0305 K(o=-0.03,f=-0.54) USER MOD Single : A 331 GLN :FLIP amide:sc= -0.0729 F(o=-1.5!,f=-0.073) USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 333 SER OG : rot 81:sc= 1.23 USER MOD Single : A 336 MET CE :methyl 163:sc= -0.0741 (180deg=-0.436) USER MOD Single : A 337 MET CE :methyl 160:sc= -0.149 (180deg=-0.741) USER MOD Single : A 339 MET CE :methyl 158:sc= -0.119 (180deg=-0.678) USER MOD Single : A 342 SER OG : rot 180:sc= 0.0572 USER MOD Single : A 344 GLN :FLIP amide:sc= -0.0217 F(o=-1.4!,f=-0.022) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 346 GLN : amide:sc= 0 X(o=0,f=-0.48) 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 352 ASN :FLIP amide:sc= -0.0179 F(o=-0.54,f=-0.018) USER MOD Single : A 353 ASN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 355 ASN : amide:sc= 0.0342 K(o=0.034,f=-0.58!) USER MOD Single : A 358 ASN : amide:sc=-0.00462 K(o=-0.0046,f=-1.1) USER MOD Single : A 360 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 -45.754 3.600 -1.866 1.00 15.10 N ATOM 2 CA MET A 311 -45.256 2.365 -2.512 1.00 14.91 C ATOM 3 C MET A 311 -43.875 2.024 -1.970 1.00 14.01 C ATOM 4 O MET A 311 -43.031 2.906 -1.812 1.00 13.92 O ATOM 5 CB MET A 311 -45.181 2.553 -4.027 1.00 15.49 C ATOM 6 CG MET A 311 -46.508 2.896 -4.679 1.00 16.12 C ATOM 7 SD MET A 311 -46.344 3.213 -6.446 1.00 16.98 S ATOM 8 CE MET A 311 -48.031 3.650 -6.869 1.00 17.92 C ATOM 0 HA MET A 311 -45.945 1.550 -2.291 1.00 14.91 H new ATOM 0 HB2 MET A 311 -44.465 3.345 -4.248 1.00 15.49 H new ATOM 0 HB3 MET A 311 -44.794 1.638 -4.476 1.00 15.49 H new ATOM 0 HG2 MET A 311 -47.209 2.076 -4.523 1.00 16.12 H new ATOM 0 HG3 MET A 311 -46.932 3.775 -4.193 1.00 16.12 H new ATOM 0 HE1 MET A 311 -48.093 3.875 -7.934 1.00 17.92 H new ATOM 0 HE2 MET A 311 -48.692 2.816 -6.635 1.00 17.92 H new ATOM 0 HE3 MET A 311 -48.335 4.526 -6.295 1.00 17.92 H new ATOM 20 N ASN A 312 -43.639 0.752 -1.692 1.00 13.49 N ATOM 21 CA ASN A 312 -42.386 0.330 -1.075 1.00 12.74 C ATOM 22 C ASN A 312 -41.543 -0.469 -2.060 1.00 12.32 C ATOM 23 O ASN A 312 -41.751 -1.669 -2.243 1.00 12.29 O ATOM 24 CB ASN A 312 -42.652 -0.501 0.187 1.00 12.63 C ATOM 25 CG ASN A 312 -43.430 0.269 1.243 1.00 12.56 C ATOM 26 OD1 ASN A 312 -42.852 1.019 2.033 1.00 12.43 O ATOM 27 ND2 ASN A 312 -44.741 0.075 1.279 1.00 12.87 N ATOM 0 H ASN A 312 -44.294 -0.006 -1.882 1.00 13.49 H new ATOM 0 HA ASN A 312 -41.834 1.226 -0.790 1.00 12.74 H new ATOM 0 HB2 ASN A 312 -43.207 -1.399 -0.084 1.00 12.63 H new ATOM 0 HB3 ASN A 312 -41.702 -0.829 0.608 1.00 12.63 H new ATOM 0 HD21 ASN A 312 -45.308 0.554 1.978 1.00 12.87 H new ATOM 0 HD22 ASN A 312 -45.182 -0.554 0.608 1.00 12.87 H new ATOM 34 N PHE A 313 -40.595 0.206 -2.695 1.00 12.16 N ATOM 35 CA PHE A 313 -39.707 -0.434 -3.661 1.00 11.96 C ATOM 36 C PHE A 313 -38.272 -0.444 -3.151 1.00 11.11 C ATOM 37 O PHE A 313 -37.993 0.027 -2.048 1.00 11.29 O ATOM 38 CB PHE A 313 -39.752 0.303 -5.002 1.00 12.55 C ATOM 39 CG PHE A 313 -41.086 0.279 -5.685 1.00 13.17 C ATOM 40 CD1 PHE A 313 -41.541 -0.873 -6.302 1.00 13.57 C ATOM 41 CD2 PHE A 313 -41.877 1.412 -5.722 1.00 13.49 C ATOM 42 CE1 PHE A 313 -42.766 -0.895 -6.941 1.00 14.27 C ATOM 43 CE2 PHE A 313 -43.101 1.398 -6.359 1.00 14.21 C ATOM 44 CZ PHE A 313 -43.546 0.243 -6.971 1.00 14.59 C ATOM 0 H PHE A 313 -40.419 1.201 -2.559 1.00 12.16 H new ATOM 0 HA PHE A 313 -40.049 -1.460 -3.796 1.00 11.96 H new ATOM 0 HB2 PHE A 313 -39.460 1.341 -4.841 1.00 12.55 H new ATOM 0 HB3 PHE A 313 -39.010 -0.137 -5.668 1.00 12.55 H new ATOM 0 HD1 PHE A 313 -40.932 -1.765 -6.284 1.00 13.57 H new ATOM 0 HD2 PHE A 313 -41.533 2.319 -5.247 1.00 13.49 H new ATOM 0 HE1 PHE A 313 -43.112 -1.801 -7.416 1.00 14.27 H new ATOM 0 HE2 PHE A 313 -43.710 2.290 -6.379 1.00 14.21 H new ATOM 0 HZ PHE A 313 -44.503 0.230 -7.472 1.00 14.59 H new ATOM 54 N GLY A 314 -37.370 -0.996 -3.954 1.00 10.31 N ATOM 55 CA GLY A 314 -35.952 -0.912 -3.658 1.00 9.52 C ATOM 56 C GLY A 314 -35.473 -1.939 -2.650 1.00 8.89 C ATOM 57 O GLY A 314 -34.386 -1.796 -2.093 1.00 8.22 O ATOM 0 H GLY A 314 -37.597 -1.503 -4.809 1.00 10.31 H new ATOM 0 HA2 GLY A 314 -35.390 -1.036 -4.583 1.00 9.52 H new ATOM 0 HA3 GLY A 314 -35.728 0.086 -3.280 1.00 9.52 H new ATOM 61 N ALA A 315 -36.267 -2.973 -2.413 1.00 9.30 N ATOM 62 CA ALA A 315 -35.886 -4.008 -1.455 1.00 9.10 C ATOM 63 C ALA A 315 -34.742 -4.861 -1.993 1.00 8.51 C ATOM 64 O ALA A 315 -33.788 -5.161 -1.277 1.00 8.20 O ATOM 65 CB ALA A 315 -37.078 -4.888 -1.108 1.00 10.04 C ATOM 0 H ALA A 315 -37.170 -3.120 -2.864 1.00 9.30 H new ATOM 0 HA ALA A 315 -35.544 -3.509 -0.548 1.00 9.10 H new ATOM 0 HB1 ALA A 315 -36.771 -5.651 -0.393 1.00 10.04 H new ATOM 0 HB2 ALA A 315 -37.866 -4.276 -0.669 1.00 10.04 H new ATOM 0 HB3 ALA A 315 -37.452 -5.367 -2.013 1.00 10.04 H new ATOM 71 N PHE A 316 -34.831 -5.219 -3.271 1.00 8.63 N ATOM 72 CA PHE A 316 -33.850 -6.100 -3.901 1.00 8.47 C ATOM 73 C PHE A 316 -32.710 -5.304 -4.545 1.00 7.73 C ATOM 74 O PHE A 316 -32.016 -5.801 -5.433 1.00 7.72 O ATOM 75 CB PHE A 316 -34.531 -7.005 -4.942 1.00 9.29 C ATOM 76 CG PHE A 316 -35.183 -6.272 -6.083 1.00 10.04 C ATOM 77 CD1 PHE A 316 -36.448 -5.726 -5.943 1.00 10.61 C ATOM 78 CD2 PHE A 316 -34.533 -6.143 -7.300 1.00 10.37 C ATOM 79 CE1 PHE A 316 -37.049 -5.064 -6.994 1.00 11.44 C ATOM 80 CE2 PHE A 316 -35.128 -5.480 -8.353 1.00 11.22 C ATOM 81 CZ PHE A 316 -36.390 -4.942 -8.199 1.00 11.73 C ATOM 0 H PHE A 316 -35.577 -4.911 -3.895 1.00 8.63 H new ATOM 0 HA PHE A 316 -33.416 -6.726 -3.121 1.00 8.47 H new ATOM 0 HB2 PHE A 316 -33.788 -7.692 -5.347 1.00 9.29 H new ATOM 0 HB3 PHE A 316 -35.285 -7.611 -4.439 1.00 9.29 H new ATOM 0 HD1 PHE A 316 -36.969 -5.819 -5.002 1.00 10.61 H new ATOM 0 HD2 PHE A 316 -33.548 -6.567 -7.426 1.00 10.37 H new ATOM 0 HE1 PHE A 316 -38.035 -4.641 -6.873 1.00 11.44 H new ATOM 0 HE2 PHE A 316 -34.608 -5.382 -9.295 1.00 11.22 H new ATOM 0 HZ PHE A 316 -36.861 -4.426 -9.022 1.00 11.73 H new ATOM 91 N SER A 317 -32.526 -4.067 -4.093 1.00 7.38 N ATOM 92 CA SER A 317 -31.488 -3.202 -4.638 1.00 6.88 C ATOM 93 C SER A 317 -30.099 -3.761 -4.333 1.00 6.15 C ATOM 94 O SER A 317 -29.795 -4.121 -3.195 1.00 6.12 O ATOM 95 CB SER A 317 -31.633 -1.782 -4.078 1.00 7.20 C ATOM 96 OG SER A 317 -31.762 -1.795 -2.664 1.00 8.01 O ATOM 0 H SER A 317 -33.083 -3.642 -3.351 1.00 7.38 H new ATOM 0 HA SER A 317 -31.606 -3.163 -5.721 1.00 6.88 H new ATOM 0 HB2 SER A 317 -30.764 -1.187 -4.360 1.00 7.20 H new ATOM 0 HB3 SER A 317 -32.506 -1.302 -4.520 1.00 7.20 H new ATOM 0 HG SER A 317 -32.655 -1.479 -2.414 1.00 8.01 H new ATOM 102 N ILE A 318 -29.263 -3.839 -5.359 1.00 5.89 N ATOM 103 CA ILE A 318 -27.932 -4.407 -5.216 1.00 5.46 C ATOM 104 C ILE A 318 -26.853 -3.335 -5.303 1.00 5.05 C ATOM 105 O ILE A 318 -25.716 -3.609 -5.686 1.00 5.20 O ATOM 106 CB ILE A 318 -27.669 -5.530 -6.251 1.00 5.77 C ATOM 107 CG1 ILE A 318 -28.208 -5.164 -7.643 1.00 6.39 C ATOM 108 CG2 ILE A 318 -28.289 -6.834 -5.771 1.00 5.87 C ATOM 109 CD1 ILE A 318 -27.379 -4.145 -8.389 1.00 6.93 C ATOM 0 H ILE A 318 -29.485 -3.515 -6.301 1.00 5.89 H new ATOM 0 HA ILE A 318 -27.887 -4.853 -4.222 1.00 5.46 H new ATOM 0 HB ILE A 318 -26.590 -5.653 -6.341 1.00 5.77 H new ATOM 0 HG12 ILE A 318 -28.272 -6.071 -8.244 1.00 6.39 H new ATOM 0 HG13 ILE A 318 -29.223 -4.780 -7.536 1.00 6.39 H new ATOM 0 HG21 ILE A 318 -28.100 -7.618 -6.504 1.00 5.87 H new ATOM 0 HG22 ILE A 318 -27.848 -7.116 -4.815 1.00 5.87 H new ATOM 0 HG23 ILE A 318 -29.364 -6.703 -5.650 1.00 5.87 H new ATOM 0 HD11 ILE A 318 -27.833 -3.947 -9.360 1.00 6.93 H new ATOM 0 HD12 ILE A 318 -27.335 -3.220 -7.814 1.00 6.93 H new ATOM 0 HD13 ILE A 318 -26.370 -4.531 -8.532 1.00 6.93 H new ATOM 121 N ASN A 319 -27.217 -2.112 -4.947 1.00 4.90 N ATOM 122 CA ASN A 319 -26.255 -1.019 -4.888 1.00 4.82 C ATOM 123 C ASN A 319 -25.728 -0.879 -3.468 1.00 4.38 C ATOM 124 O ASN A 319 -26.425 -0.375 -2.585 1.00 4.39 O ATOM 125 CB ASN A 319 -26.881 0.299 -5.350 1.00 5.38 C ATOM 126 CG ASN A 319 -27.208 0.303 -6.832 1.00 6.06 C ATOM 127 OD1 ASN A 319 -28.308 -0.071 -7.233 1.00 6.44 O ATOM 128 ND2 ASN A 319 -26.256 0.728 -7.653 1.00 6.59 N ATOM 0 H ASN A 319 -28.170 -1.851 -4.695 1.00 4.90 H new ATOM 0 HA ASN A 319 -25.431 -1.251 -5.562 1.00 4.82 H new ATOM 0 HB2 ASN A 319 -27.792 0.483 -4.780 1.00 5.38 H new ATOM 0 HB3 ASN A 319 -26.196 1.118 -5.131 1.00 5.38 H new ATOM 0 HD21 ASN A 319 -26.424 0.753 -8.659 1.00 6.59 H new ATOM 0 HD22 ASN A 319 -25.357 1.030 -7.278 1.00 6.59 H new ATOM 135 N PRO A 320 -24.491 -1.332 -3.232 1.00 4.41 N ATOM 136 CA PRO A 320 -23.920 -1.400 -1.892 1.00 4.37 C ATOM 137 C PRO A 320 -23.415 -0.053 -1.396 1.00 4.34 C ATOM 138 O PRO A 320 -23.016 0.806 -2.182 1.00 4.65 O ATOM 139 CB PRO A 320 -22.762 -2.382 -2.064 1.00 4.92 C ATOM 140 CG PRO A 320 -22.317 -2.200 -3.473 1.00 5.28 C ATOM 141 CD PRO A 320 -23.539 -1.799 -4.259 1.00 4.99 C ATOM 0 HA PRO A 320 -24.656 -1.705 -1.148 1.00 4.37 H new ATOM 0 HB2 PRO A 320 -21.955 -2.169 -1.363 1.00 4.92 H new ATOM 0 HB3 PRO A 320 -23.082 -3.407 -1.879 1.00 4.92 H new ATOM 0 HG2 PRO A 320 -21.544 -1.434 -3.540 1.00 5.28 H new ATOM 0 HG3 PRO A 320 -21.888 -3.121 -3.866 1.00 5.28 H new ATOM 0 HD2 PRO A 320 -23.310 -1.012 -4.978 1.00 4.99 H new ATOM 0 HD3 PRO A 320 -23.943 -2.639 -4.824 1.00 4.99 H new ATOM 149 N ALA A 321 -23.446 0.120 -0.087 1.00 4.38 N ATOM 150 CA ALA A 321 -22.951 1.327 0.550 1.00 4.73 C ATOM 151 C ALA A 321 -21.959 0.952 1.636 1.00 4.87 C ATOM 152 O ALA A 321 -20.903 1.564 1.767 1.00 4.83 O ATOM 153 CB ALA A 321 -24.095 2.148 1.126 1.00 5.47 C ATOM 0 H ALA A 321 -23.815 -0.572 0.565 1.00 4.38 H new ATOM 0 HA ALA A 321 -22.450 1.942 -0.198 1.00 4.73 H new ATOM 0 HB1 ALA A 321 -23.697 3.047 1.597 1.00 5.47 H new ATOM 0 HB2 ALA A 321 -24.779 2.431 0.326 1.00 5.47 H new ATOM 0 HB3 ALA A 321 -24.630 1.556 1.868 1.00 5.47 H new ATOM 159 N MET A 322 -22.295 -0.086 2.395 1.00 5.24 N ATOM 160 CA MET A 322 -21.397 -0.613 3.411 1.00 5.76 C ATOM 161 C MET A 322 -20.209 -1.299 2.749 1.00 5.34 C ATOM 162 O MET A 322 -19.073 -1.202 3.213 1.00 5.57 O ATOM 163 CB MET A 322 -22.147 -1.603 4.296 1.00 6.52 C ATOM 164 CG MET A 322 -23.158 -0.949 5.223 1.00 7.25 C ATOM 165 SD MET A 322 -24.063 -2.149 6.219 1.00 8.01 S ATOM 166 CE MET A 322 -24.926 -3.067 4.947 1.00 8.63 C ATOM 0 H MET A 322 -23.185 -0.579 2.324 1.00 5.24 H new ATOM 0 HA MET A 322 -21.030 0.208 4.027 1.00 5.76 H new ATOM 0 HB2 MET A 322 -22.662 -2.325 3.663 1.00 6.52 H new ATOM 0 HB3 MET A 322 -21.426 -2.161 4.894 1.00 6.52 H new ATOM 0 HG2 MET A 322 -22.642 -0.250 5.882 1.00 7.25 H new ATOM 0 HG3 MET A 322 -23.864 -0.367 4.631 1.00 7.25 H new ATOM 0 HE1 MET A 322 -25.796 -3.560 5.381 1.00 8.63 H new ATOM 0 HE2 MET A 322 -25.250 -2.384 4.162 1.00 8.63 H new ATOM 0 HE3 MET A 322 -24.258 -3.817 4.523 1.00 8.63 H new ATOM 176 N MET A 323 -20.482 -1.975 1.640 1.00 4.92 N ATOM 177 CA MET A 323 -19.437 -2.611 0.851 1.00 4.86 C ATOM 178 C MET A 323 -18.720 -1.560 0.016 1.00 4.19 C ATOM 179 O MET A 323 -17.543 -1.700 -0.319 1.00 4.23 O ATOM 180 CB MET A 323 -20.021 -3.693 -0.064 1.00 5.17 C ATOM 181 CG MET A 323 -20.836 -4.759 0.658 1.00 5.75 C ATOM 182 SD MET A 323 -22.454 -4.162 1.192 1.00 6.61 S ATOM 183 CE MET A 323 -23.128 -5.646 1.937 1.00 7.32 C ATOM 0 H MET A 323 -21.423 -2.097 1.266 1.00 4.92 H new ATOM 0 HA MET A 323 -18.730 -3.086 1.531 1.00 4.86 H new ATOM 0 HB2 MET A 323 -20.653 -3.215 -0.813 1.00 5.17 H new ATOM 0 HB3 MET A 323 -19.205 -4.178 -0.599 1.00 5.17 H new ATOM 0 HG2 MET A 323 -20.970 -5.616 -0.002 1.00 5.75 H new ATOM 0 HG3 MET A 323 -20.279 -5.110 1.527 1.00 5.75 H new ATOM 0 HE1 MET A 323 -24.129 -5.440 2.317 1.00 7.32 H new ATOM 0 HE2 MET A 323 -23.179 -6.438 1.189 1.00 7.32 H new ATOM 0 HE3 MET A 323 -22.487 -5.964 2.759 1.00 7.32 H new ATOM 193 N ALA A 324 -19.447 -0.499 -0.302 1.00 3.85 N ATOM 194 CA ALA A 324 -18.902 0.607 -1.072 1.00 3.64 C ATOM 195 C ALA A 324 -17.899 1.390 -0.237 1.00 3.69 C ATOM 196 O ALA A 324 -16.845 1.793 -0.730 1.00 3.64 O ATOM 197 CB ALA A 324 -20.020 1.514 -1.550 1.00 3.87 C ATOM 0 H ALA A 324 -20.424 -0.381 -0.035 1.00 3.85 H new ATOM 0 HA ALA A 324 -18.385 0.206 -1.943 1.00 3.64 H new ATOM 0 HB1 ALA A 324 -19.599 2.338 -2.125 1.00 3.87 H new ATOM 0 HB2 ALA A 324 -20.706 0.946 -2.179 1.00 3.87 H new ATOM 0 HB3 ALA A 324 -20.560 1.910 -0.690 1.00 3.87 H new ATOM 203 N ALA A 325 -18.226 1.586 1.039 1.00 4.10 N ATOM 204 CA ALA A 325 -17.326 2.258 1.967 1.00 4.50 C ATOM 205 C ALA A 325 -16.032 1.470 2.111 1.00 4.36 C ATOM 206 O ALA A 325 -14.948 2.045 2.203 1.00 4.39 O ATOM 207 CB ALA A 325 -17.988 2.440 3.325 1.00 5.40 C ATOM 0 H ALA A 325 -19.110 1.287 1.452 1.00 4.10 H new ATOM 0 HA ALA A 325 -17.094 3.244 1.565 1.00 4.50 H new ATOM 0 HB1 ALA A 325 -17.298 2.944 4.002 1.00 5.40 H new ATOM 0 HB2 ALA A 325 -18.890 3.042 3.212 1.00 5.40 H new ATOM 0 HB3 ALA A 325 -18.251 1.465 3.735 1.00 5.40 H new ATOM 213 N ALA A 326 -16.152 0.142 2.106 1.00 4.45 N ATOM 214 CA ALA A 326 -14.990 -0.735 2.177 1.00 4.76 C ATOM 215 C ALA A 326 -14.103 -0.544 0.952 1.00 4.25 C ATOM 216 O ALA A 326 -12.876 -0.504 1.062 1.00 4.39 O ATOM 217 CB ALA A 326 -15.429 -2.189 2.302 1.00 5.39 C ATOM 0 H ALA A 326 -17.045 -0.348 2.053 1.00 4.45 H new ATOM 0 HA ALA A 326 -14.411 -0.474 3.063 1.00 4.76 H new ATOM 0 HB1 ALA A 326 -14.550 -2.831 2.354 1.00 5.39 H new ATOM 0 HB2 ALA A 326 -16.023 -2.313 3.207 1.00 5.39 H new ATOM 0 HB3 ALA A 326 -16.028 -2.464 1.434 1.00 5.39 H new ATOM 223 N GLN A 327 -14.733 -0.417 -0.213 1.00 3.89 N ATOM 224 CA GLN A 327 -14.010 -0.194 -1.461 1.00 3.88 C ATOM 225 C GLN A 327 -13.347 1.183 -1.452 1.00 3.54 C ATOM 226 O GLN A 327 -12.199 1.332 -1.869 1.00 3.70 O ATOM 227 CB GLN A 327 -14.962 -0.324 -2.659 1.00 4.13 C ATOM 228 CG GLN A 327 -14.300 -0.109 -4.012 1.00 4.57 C ATOM 229 CD GLN A 327 -13.221 -1.134 -4.318 1.00 5.04 C ATOM 230 OE1 GLN A 327 -13.276 -2.277 -3.860 1.00 5.37 O ATOM 231 NE2 GLN A 327 -12.242 -0.737 -5.111 1.00 5.52 N ATOM 0 H GLN A 327 -15.746 -0.465 -0.318 1.00 3.89 H new ATOM 0 HA GLN A 327 -13.232 -0.952 -1.553 1.00 3.88 H new ATOM 0 HB2 GLN A 327 -15.414 -1.316 -2.643 1.00 4.13 H new ATOM 0 HB3 GLN A 327 -15.771 0.397 -2.545 1.00 4.13 H new ATOM 0 HG2 GLN A 327 -15.061 -0.147 -4.792 1.00 4.57 H new ATOM 0 HG3 GLN A 327 -13.863 0.889 -4.041 1.00 4.57 H new ATOM 0 HE21 GLN A 327 -12.232 0.218 -5.470 1.00 5.52 H new ATOM 0 HE22 GLN A 327 -11.496 -1.385 -5.364 1.00 5.52 H new ATOM 240 N ALA A 328 -14.071 2.177 -0.953 1.00 3.40 N ATOM 241 CA ALA A 328 -13.549 3.536 -0.850 1.00 3.60 C ATOM 242 C ALA A 328 -12.354 3.592 0.098 1.00 3.61 C ATOM 243 O ALA A 328 -11.348 4.242 -0.192 1.00 3.68 O ATOM 244 CB ALA A 328 -14.641 4.488 -0.383 1.00 4.16 C ATOM 0 H ALA A 328 -15.026 2.068 -0.612 1.00 3.40 H new ATOM 0 HA ALA A 328 -13.212 3.846 -1.839 1.00 3.60 H new ATOM 0 HB1 ALA A 328 -14.237 5.498 -0.311 1.00 4.16 H new ATOM 0 HB2 ALA A 328 -15.464 4.477 -1.098 1.00 4.16 H new ATOM 0 HB3 ALA A 328 -15.005 4.172 0.595 1.00 4.16 H new ATOM 250 N ALA A 329 -12.465 2.896 1.222 1.00 3.87 N ATOM 251 CA ALA A 329 -11.385 2.835 2.199 1.00 4.31 C ATOM 252 C ALA A 329 -10.162 2.129 1.617 1.00 4.02 C ATOM 253 O ALA A 329 -9.018 2.457 1.945 1.00 4.18 O ATOM 254 CB ALA A 329 -11.858 2.126 3.458 1.00 5.14 C ATOM 0 H ALA A 329 -13.296 2.364 1.481 1.00 3.87 H new ATOM 0 HA ALA A 329 -11.096 3.854 2.456 1.00 4.31 H new ATOM 0 HB1 ALA A 329 -11.043 2.086 4.181 1.00 5.14 H new ATOM 0 HB2 ALA A 329 -12.699 2.670 3.888 1.00 5.14 H new ATOM 0 HB3 ALA A 329 -12.172 1.112 3.209 1.00 5.14 H new ATOM 260 N LEU A 330 -10.410 1.161 0.742 1.00 3.86 N ATOM 261 CA LEU A 330 -9.343 0.427 0.082 1.00 4.05 C ATOM 262 C LEU A 330 -8.524 1.360 -0.806 1.00 3.61 C ATOM 263 O LEU A 330 -7.323 1.172 -0.977 1.00 3.83 O ATOM 264 CB LEU A 330 -9.923 -0.719 -0.753 1.00 4.52 C ATOM 265 CG LEU A 330 -8.889 -1.617 -1.439 1.00 5.18 C ATOM 266 CD1 LEU A 330 -8.029 -2.332 -0.406 1.00 5.96 C ATOM 267 CD2 LEU A 330 -9.573 -2.620 -2.358 1.00 5.66 C ATOM 0 H LEU A 330 -11.349 0.867 0.473 1.00 3.86 H new ATOM 0 HA LEU A 330 -8.688 0.009 0.847 1.00 4.05 H new ATOM 0 HB2 LEU A 330 -10.546 -1.338 -0.107 1.00 4.52 H new ATOM 0 HB3 LEU A 330 -10.576 -0.296 -1.516 1.00 4.52 H new ATOM 0 HG LEU A 330 -8.239 -0.987 -2.046 1.00 5.18 H new ATOM 0 HD11 LEU A 330 -7.301 -2.965 -0.914 1.00 5.96 H new ATOM 0 HD12 LEU A 330 -7.506 -1.596 0.205 1.00 5.96 H new ATOM 0 HD13 LEU A 330 -8.663 -2.948 0.232 1.00 5.96 H new ATOM 0 HD21 LEU A 330 -8.821 -3.248 -2.835 1.00 5.66 H new ATOM 0 HD22 LEU A 330 -10.250 -3.244 -1.775 1.00 5.66 H new ATOM 0 HD23 LEU A 330 -10.138 -2.087 -3.122 1.00 5.66 H new ATOM 279 N GLN A 331 -9.184 2.377 -1.342 1.00 3.29 N ATOM 280 CA GLN A 331 -8.532 3.352 -2.217 1.00 3.38 C ATOM 281 C GLN A 331 -7.483 4.165 -1.459 1.00 3.36 C ATOM 282 O GLN A 331 -6.523 4.661 -2.048 1.00 3.53 O ATOM 283 CB GLN A 331 -9.575 4.287 -2.830 1.00 3.75 C ATOM 284 CG GLN A 331 -10.649 3.559 -3.619 1.00 4.36 C ATOM 285 CD GLN A 331 -11.745 4.482 -4.120 1.00 4.72 C ATOM 286 OE1 GLN A 331 -12.016 5.545 -3.375 1.00 5.26 O flip ATOM 287 NE2 GLN A 331 -12.354 4.233 -5.162 1.00 4.88 N flip ATOM 0 H GLN A 331 -10.177 2.552 -1.187 1.00 3.29 H new ATOM 0 HA GLN A 331 -8.026 2.805 -3.012 1.00 3.38 H new ATOM 0 HB2 GLN A 331 -10.047 4.864 -2.035 1.00 3.75 H new ATOM 0 HB3 GLN A 331 -9.073 4.999 -3.485 1.00 3.75 H new ATOM 0 HG2 GLN A 331 -10.189 3.055 -4.469 1.00 4.36 H new ATOM 0 HG3 GLN A 331 -11.092 2.785 -2.991 1.00 4.36 H new ATOM 0 HE21 GLN A 331 -12.115 3.404 -5.707 1.00 4.88 H new ATOM 0 HE22 GLN A 331 -13.097 4.855 -5.480 1.00 4.88 H new ATOM 296 N SER A 332 -7.675 4.304 -0.154 1.00 3.52 N ATOM 297 CA SER A 332 -6.727 5.024 0.684 1.00 4.01 C ATOM 298 C SER A 332 -5.729 4.059 1.323 1.00 4.13 C ATOM 299 O SER A 332 -4.621 4.446 1.694 1.00 4.40 O ATOM 300 CB SER A 332 -7.475 5.799 1.767 1.00 4.82 C ATOM 301 OG SER A 332 -8.479 6.630 1.201 1.00 5.25 O ATOM 0 H SER A 332 -8.480 3.927 0.347 1.00 3.52 H new ATOM 0 HA SER A 332 -6.174 5.725 0.059 1.00 4.01 H new ATOM 0 HB2 SER A 332 -7.930 5.101 2.469 1.00 4.82 H new ATOM 0 HB3 SER A 332 -6.771 6.408 2.334 1.00 4.82 H new ATOM 0 HG SER A 332 -8.944 7.114 1.915 1.00 5.25 H new ATOM 307 N SER A 333 -6.139 2.801 1.456 1.00 4.24 N ATOM 308 CA SER A 333 -5.306 1.776 2.059 1.00 4.87 C ATOM 309 C SER A 333 -4.302 1.218 1.051 1.00 4.69 C ATOM 310 O SER A 333 -3.132 1.008 1.370 1.00 5.07 O ATOM 311 CB SER A 333 -6.184 0.647 2.609 1.00 5.50 C ATOM 312 OG SER A 333 -7.172 1.153 3.498 1.00 6.18 O ATOM 0 H SER A 333 -7.053 2.469 1.149 1.00 4.24 H new ATOM 0 HA SER A 333 -4.746 2.229 2.877 1.00 4.87 H new ATOM 0 HB2 SER A 333 -6.667 0.123 1.784 1.00 5.50 H new ATOM 0 HB3 SER A 333 -5.562 -0.081 3.129 1.00 5.50 H new ATOM 0 HG SER A 333 -7.927 1.505 2.982 1.00 6.18 H new ATOM 318 N TRP A 334 -4.768 0.989 -0.166 1.00 4.36 N ATOM 319 CA TRP A 334 -3.938 0.426 -1.217 1.00 4.61 C ATOM 320 C TRP A 334 -3.981 1.331 -2.443 1.00 4.24 C ATOM 321 O TRP A 334 -4.976 2.013 -2.684 1.00 3.98 O ATOM 322 CB TRP A 334 -4.427 -0.986 -1.561 1.00 5.51 C ATOM 323 CG TRP A 334 -3.589 -1.698 -2.580 1.00 6.03 C ATOM 324 CD1 TRP A 334 -3.971 -2.058 -3.840 1.00 6.54 C ATOM 325 CD2 TRP A 334 -2.230 -2.129 -2.433 1.00 6.46 C ATOM 326 NE1 TRP A 334 -2.939 -2.700 -4.478 1.00 7.16 N ATOM 327 CE2 TRP A 334 -1.858 -2.750 -3.638 1.00 7.11 C ATOM 328 CE3 TRP A 334 -1.294 -2.052 -1.398 1.00 6.66 C ATOM 329 CZ2 TRP A 334 -0.591 -3.296 -3.837 1.00 7.83 C ATOM 330 CZ3 TRP A 334 -0.034 -2.589 -1.598 1.00 7.45 C ATOM 331 CH2 TRP A 334 0.308 -3.201 -2.811 1.00 7.97 C ATOM 0 H TRP A 334 -5.727 1.187 -0.452 1.00 4.36 H new ATOM 0 HA TRP A 334 -2.906 0.358 -0.874 1.00 4.61 H new ATOM 0 HB2 TRP A 334 -4.452 -1.581 -0.648 1.00 5.51 H new ATOM 0 HB3 TRP A 334 -5.451 -0.924 -1.929 1.00 5.51 H new ATOM 0 HD1 TRP A 334 -4.942 -1.866 -4.271 1.00 6.54 H new ATOM 0 HE1 TRP A 334 -2.972 -3.079 -5.425 1.00 7.16 H new ATOM 0 HE3 TRP A 334 -1.549 -1.582 -0.460 1.00 6.66 H new ATOM 0 HZ2 TRP A 334 -0.329 -3.777 -4.768 1.00 7.83 H new ATOM 0 HZ3 TRP A 334 0.698 -2.535 -0.806 1.00 7.45 H new ATOM 0 HH2 TRP A 334 1.301 -3.606 -2.938 1.00 7.97 H new ATOM 342 N GLY A 335 -2.900 1.341 -3.206 1.00 4.55 N ATOM 343 CA GLY A 335 -2.817 2.221 -4.350 1.00 4.68 C ATOM 344 C GLY A 335 -2.334 3.602 -3.959 1.00 4.16 C ATOM 345 O GLY A 335 -2.889 4.610 -4.393 1.00 4.48 O ATOM 0 H GLY A 335 -2.079 0.755 -3.053 1.00 4.55 H new ATOM 0 HA2 GLY A 335 -2.139 1.794 -5.089 1.00 4.68 H new ATOM 0 HA3 GLY A 335 -3.796 2.298 -4.822 1.00 4.68 H new ATOM 349 N MET A 336 -1.301 3.643 -3.125 1.00 3.70 N ATOM 350 CA MET A 336 -0.744 4.906 -2.664 1.00 3.47 C ATOM 351 C MET A 336 -0.025 5.614 -3.802 1.00 3.74 C ATOM 352 O MET A 336 0.915 5.074 -4.391 1.00 4.01 O ATOM 353 CB MET A 336 0.215 4.673 -1.493 1.00 3.41 C ATOM 354 CG MET A 336 0.848 5.952 -0.966 1.00 3.73 C ATOM 355 SD MET A 336 -0.376 7.158 -0.416 1.00 4.20 S ATOM 356 CE MET A 336 -1.169 6.263 0.916 1.00 5.08 C ATOM 0 H MET A 336 -0.833 2.815 -2.755 1.00 3.70 H new ATOM 0 HA MET A 336 -1.562 5.539 -2.321 1.00 3.47 H new ATOM 0 HB2 MET A 336 -0.325 4.183 -0.683 1.00 3.41 H new ATOM 0 HB3 MET A 336 1.003 3.990 -1.809 1.00 3.41 H new ATOM 0 HG2 MET A 336 1.511 5.709 -0.136 1.00 3.73 H new ATOM 0 HG3 MET A 336 1.465 6.396 -1.747 1.00 3.73 H new ATOM 0 HE1 MET A 336 -1.725 6.960 1.543 1.00 5.08 H new ATOM 0 HE2 MET A 336 -1.854 5.523 0.501 1.00 5.08 H new ATOM 0 HE3 MET A 336 -0.412 5.759 1.517 1.00 5.08 H new ATOM 366 N MET A 337 -0.487 6.815 -4.111 1.00 4.13 N ATOM 367 CA MET A 337 0.077 7.608 -5.193 1.00 4.69 C ATOM 368 C MET A 337 1.416 8.209 -4.775 1.00 4.24 C ATOM 369 O MET A 337 1.639 8.497 -3.597 1.00 3.85 O ATOM 370 CB MET A 337 -0.894 8.723 -5.583 1.00 5.56 C ATOM 371 CG MET A 337 -2.270 8.222 -5.990 1.00 6.32 C ATOM 372 SD MET A 337 -3.393 9.566 -6.413 1.00 7.23 S ATOM 373 CE MET A 337 -2.542 10.279 -7.819 1.00 8.06 C ATOM 0 H MET A 337 -1.260 7.266 -3.622 1.00 4.13 H new ATOM 0 HA MET A 337 0.240 6.957 -6.052 1.00 4.69 H new ATOM 0 HB2 MET A 337 -1.001 9.409 -4.743 1.00 5.56 H new ATOM 0 HB3 MET A 337 -0.466 9.293 -6.408 1.00 5.56 H new ATOM 0 HG2 MET A 337 -2.172 7.552 -6.844 1.00 6.32 H new ATOM 0 HG3 MET A 337 -2.697 7.638 -5.174 1.00 6.32 H new ATOM 0 HE1 MET A 337 -3.244 10.870 -8.408 1.00 8.06 H new ATOM 0 HE2 MET A 337 -1.733 10.920 -7.468 1.00 8.06 H new ATOM 0 HE3 MET A 337 -2.130 9.482 -8.438 1.00 8.06 H new ATOM 383 N GLY A 338 2.294 8.417 -5.754 1.00 4.64 N ATOM 384 CA GLY A 338 3.619 8.933 -5.482 1.00 4.49 C ATOM 385 C GLY A 338 3.577 10.335 -4.929 1.00 4.59 C ATOM 386 O GLY A 338 4.388 10.704 -4.075 1.00 4.39 O ATOM 0 H GLY A 338 2.105 8.234 -6.739 1.00 4.64 H new ATOM 0 HA2 GLY A 338 4.124 8.278 -4.772 1.00 4.49 H new ATOM 0 HA3 GLY A 338 4.207 8.923 -6.399 1.00 4.49 H new ATOM 390 N MET A 339 2.639 11.124 -5.431 1.00 5.28 N ATOM 391 CA MET A 339 2.452 12.485 -4.958 1.00 5.81 C ATOM 392 C MET A 339 1.981 12.498 -3.505 1.00 5.61 C ATOM 393 O MET A 339 2.214 13.457 -2.771 1.00 6.06 O ATOM 394 CB MET A 339 1.434 13.219 -5.839 1.00 6.87 C ATOM 395 CG MET A 339 1.260 14.686 -5.487 1.00 7.56 C ATOM 396 SD MET A 339 2.746 15.663 -5.798 1.00 8.38 S ATOM 397 CE MET A 339 2.881 15.511 -7.578 1.00 9.13 C ATOM 0 H MET A 339 1.994 10.842 -6.169 1.00 5.28 H new ATOM 0 HA MET A 339 3.413 12.997 -5.016 1.00 5.81 H new ATOM 0 HB2 MET A 339 1.746 13.140 -6.880 1.00 6.87 H new ATOM 0 HB3 MET A 339 0.469 12.719 -5.756 1.00 6.87 H new ATOM 0 HG2 MET A 339 0.433 15.098 -6.065 1.00 7.56 H new ATOM 0 HG3 MET A 339 0.988 14.772 -4.435 1.00 7.56 H new ATOM 0 HE1 MET A 339 3.477 16.336 -7.969 1.00 9.13 H new ATOM 0 HE2 MET A 339 3.363 14.565 -7.827 1.00 9.13 H new ATOM 0 HE3 MET A 339 1.886 15.539 -8.022 1.00 9.13 H new ATOM 407 N LEU A 340 1.331 11.416 -3.088 1.00 5.18 N ATOM 408 CA LEU A 340 0.789 11.321 -1.739 1.00 5.41 C ATOM 409 C LEU A 340 1.826 10.763 -0.769 1.00 5.02 C ATOM 410 O LEU A 340 1.564 10.636 0.427 1.00 5.64 O ATOM 411 CB LEU A 340 -0.459 10.441 -1.716 1.00 5.55 C ATOM 412 CG LEU A 340 -1.570 10.859 -2.677 1.00 6.05 C ATOM 413 CD1 LEU A 340 -2.768 9.929 -2.547 1.00 6.16 C ATOM 414 CD2 LEU A 340 -1.984 12.301 -2.421 1.00 7.07 C ATOM 0 H LEU A 340 1.167 10.592 -3.667 1.00 5.18 H new ATOM 0 HA LEU A 340 0.519 12.329 -1.423 1.00 5.41 H new ATOM 0 HB2 LEU A 340 -0.166 9.417 -1.949 1.00 5.55 H new ATOM 0 HB3 LEU A 340 -0.861 10.435 -0.703 1.00 5.55 H new ATOM 0 HG LEU A 340 -1.188 10.787 -3.695 1.00 6.05 H new ATOM 0 HD11 LEU A 340 -3.549 10.243 -3.239 1.00 6.16 H new ATOM 0 HD12 LEU A 340 -2.464 8.909 -2.781 1.00 6.16 H new ATOM 0 HD13 LEU A 340 -3.150 9.968 -1.527 1.00 6.16 H new ATOM 0 HD21 LEU A 340 -2.776 12.581 -3.115 1.00 7.07 H new ATOM 0 HD22 LEU A 340 -2.347 12.399 -1.398 1.00 7.07 H new ATOM 0 HD23 LEU A 340 -1.126 12.957 -2.566 1.00 7.07 H new ATOM 426 N ALA A 341 2.998 10.429 -1.289 1.00 4.36 N ATOM 427 CA ALA A 341 4.061 9.858 -0.476 1.00 4.43 C ATOM 428 C ALA A 341 5.182 10.868 -0.266 1.00 4.77 C ATOM 429 O ALA A 341 5.395 11.759 -1.092 1.00 5.40 O ATOM 430 CB ALA A 341 4.601 8.596 -1.133 1.00 4.13 C ATOM 0 H ALA A 341 3.237 10.544 -2.274 1.00 4.36 H new ATOM 0 HA ALA A 341 3.649 9.599 0.499 1.00 4.43 H new ATOM 0 HB1 ALA A 341 5.396 8.177 -0.517 1.00 4.13 H new ATOM 0 HB2 ALA A 341 3.798 7.866 -1.235 1.00 4.13 H new ATOM 0 HB3 ALA A 341 4.997 8.840 -2.119 1.00 4.13 H new ATOM 436 N SER A 342 5.882 10.735 0.849 1.00 4.71 N ATOM 437 CA SER A 342 7.011 11.594 1.157 1.00 5.21 C ATOM 438 C SER A 342 8.259 11.101 0.434 1.00 4.78 C ATOM 439 O SER A 342 8.506 9.897 0.353 1.00 4.60 O ATOM 440 CB SER A 342 7.234 11.627 2.667 1.00 5.76 C ATOM 441 OG SER A 342 6.999 10.349 3.239 1.00 6.25 O ATOM 0 H SER A 342 5.684 10.032 1.562 1.00 4.71 H new ATOM 0 HA SER A 342 6.799 12.607 0.814 1.00 5.21 H new ATOM 0 HB2 SER A 342 8.254 11.944 2.882 1.00 5.76 H new ATOM 0 HB3 SER A 342 6.569 12.362 3.121 1.00 5.76 H new ATOM 0 HG SER A 342 7.149 10.391 4.207 1.00 6.25 H new ATOM 447 N ARG A 343 9.041 12.028 -0.092 1.00 4.96 N ATOM 448 CA ARG A 343 10.186 11.679 -0.915 1.00 4.86 C ATOM 449 C ARG A 343 11.489 11.971 -0.186 1.00 4.76 C ATOM 450 O ARG A 343 11.938 13.115 -0.129 1.00 5.40 O ATOM 451 CB ARG A 343 10.137 12.451 -2.234 1.00 5.67 C ATOM 452 CG ARG A 343 8.867 12.205 -3.033 1.00 6.12 C ATOM 453 CD ARG A 343 8.858 13.000 -4.328 1.00 6.82 C ATOM 454 NE ARG A 343 9.936 12.597 -5.225 1.00 7.18 N ATOM 455 CZ ARG A 343 10.466 13.387 -6.155 1.00 7.92 C ATOM 456 NH1 ARG A 343 10.027 14.632 -6.302 1.00 8.35 N ATOM 457 NH2 ARG A 343 11.439 12.932 -6.931 1.00 8.49 N ATOM 0 H ARG A 343 8.903 13.030 0.037 1.00 4.96 H new ATOM 0 HA ARG A 343 10.145 10.610 -1.124 1.00 4.86 H new ATOM 0 HB2 ARG A 343 10.225 13.517 -2.025 1.00 5.67 H new ATOM 0 HB3 ARG A 343 10.999 12.173 -2.841 1.00 5.67 H new ATOM 0 HG2 ARG A 343 8.778 11.142 -3.257 1.00 6.12 H new ATOM 0 HG3 ARG A 343 8.000 12.478 -2.432 1.00 6.12 H new ATOM 0 HD2 ARG A 343 7.900 12.865 -4.829 1.00 6.82 H new ATOM 0 HD3 ARG A 343 8.953 14.062 -4.102 1.00 6.82 H new ATOM 0 HE ARG A 343 10.306 11.651 -5.133 1.00 7.18 H new ATOM 0 HH11 ARG A 343 9.282 14.984 -5.701 1.00 8.35 H new ATOM 0 HH12 ARG A 343 10.435 15.236 -7.016 1.00 8.35 H new ATOM 0 HH21 ARG A 343 11.780 11.978 -6.815 1.00 8.49 H new ATOM 0 HH22 ARG A 343 11.847 13.536 -7.645 1.00 8.49 H new ATOM 471 N GLN A 344 12.090 10.931 0.369 1.00 4.30 N ATOM 472 CA GLN A 344 13.335 11.068 1.112 1.00 4.47 C ATOM 473 C GLN A 344 14.523 10.845 0.185 1.00 4.38 C ATOM 474 O GLN A 344 14.455 10.031 -0.738 1.00 4.22 O ATOM 475 CB GLN A 344 13.380 10.056 2.256 1.00 4.62 C ATOM 476 CG GLN A 344 12.171 10.114 3.171 1.00 5.14 C ATOM 477 CD GLN A 344 12.197 9.032 4.232 1.00 5.62 C ATOM 478 OE1 GLN A 344 12.819 7.904 3.920 1.00 6.10 O flip ATOM 479 NE2 GLN A 344 11.665 9.207 5.327 1.00 5.93 N flip ATOM 0 H GLN A 344 11.734 9.976 0.319 1.00 4.30 H new ATOM 0 HA GLN A 344 13.386 12.075 1.525 1.00 4.47 H new ATOM 0 HB2 GLN A 344 13.460 9.052 1.838 1.00 4.62 H new ATOM 0 HB3 GLN A 344 14.280 10.229 2.846 1.00 4.62 H new ATOM 0 HG2 GLN A 344 12.130 11.091 3.653 1.00 5.14 H new ATOM 0 HG3 GLN A 344 11.263 10.014 2.576 1.00 5.14 H new ATOM 0 HE21 GLN A 344 11.195 10.089 5.531 1.00 5.93 H new ATOM 0 HE22 GLN A 344 11.693 8.470 6.031 1.00 5.93 H new ATOM 488 N ASN A 345 15.601 11.577 0.426 1.00 4.85 N ATOM 489 CA ASN A 345 16.823 11.426 -0.346 1.00 4.99 C ATOM 490 C ASN A 345 17.574 10.176 0.098 1.00 4.91 C ATOM 491 O ASN A 345 17.872 10.009 1.280 1.00 5.29 O ATOM 492 CB ASN A 345 17.707 12.669 -0.184 1.00 5.88 C ATOM 493 CG ASN A 345 19.064 12.530 -0.855 1.00 6.35 C ATOM 494 OD1 ASN A 345 20.036 12.097 -0.234 1.00 6.50 O ATOM 495 ND2 ASN A 345 19.147 12.896 -2.122 1.00 6.96 N ATOM 0 H ASN A 345 15.652 12.287 1.157 1.00 4.85 H new ATOM 0 HA ASN A 345 16.564 11.319 -1.399 1.00 4.99 H new ATOM 0 HB2 ASN A 345 17.189 13.532 -0.602 1.00 5.88 H new ATOM 0 HB3 ASN A 345 17.852 12.868 0.878 1.00 5.88 H new ATOM 0 HD21 ASN A 345 20.036 12.824 -2.616 1.00 6.96 H new ATOM 0 HD22 ASN A 345 18.322 13.250 -2.606 1.00 6.96 H new ATOM 502 N GLN A 346 17.880 9.303 -0.846 1.00 4.79 N ATOM 503 CA GLN A 346 18.535 8.043 -0.532 1.00 5.00 C ATOM 504 C GLN A 346 19.934 7.992 -1.132 1.00 5.26 C ATOM 505 O GLN A 346 20.131 8.309 -2.304 1.00 5.28 O ATOM 506 CB GLN A 346 17.685 6.885 -1.062 1.00 5.09 C ATOM 507 CG GLN A 346 18.319 5.511 -0.882 1.00 5.54 C ATOM 508 CD GLN A 346 17.463 4.394 -1.448 1.00 5.92 C ATOM 509 OE1 GLN A 346 16.235 4.473 -1.451 1.00 6.41 O ATOM 510 NE2 GLN A 346 18.106 3.347 -1.941 1.00 6.10 N ATOM 0 H GLN A 346 17.686 9.443 -1.837 1.00 4.79 H new ATOM 0 HA GLN A 346 18.633 7.956 0.550 1.00 5.00 H new ATOM 0 HB2 GLN A 346 16.720 6.896 -0.556 1.00 5.09 H new ATOM 0 HB3 GLN A 346 17.491 7.047 -2.122 1.00 5.09 H new ATOM 0 HG2 GLN A 346 19.294 5.499 -1.369 1.00 5.54 H new ATOM 0 HG3 GLN A 346 18.490 5.330 0.179 1.00 5.54 H new ATOM 0 HE21 GLN A 346 19.125 3.318 -1.920 1.00 6.10 H new ATOM 0 HE22 GLN A 346 17.582 2.569 -2.342 1.00 6.10 H new ATOM 519 N SER A 347 20.903 7.593 -0.316 1.00 5.76 N ATOM 520 CA SER A 347 22.270 7.425 -0.784 1.00 6.15 C ATOM 521 C SER A 347 22.579 5.944 -0.979 1.00 5.87 C ATOM 522 O SER A 347 23.296 5.561 -1.904 1.00 6.25 O ATOM 523 CB SER A 347 23.260 8.057 0.200 1.00 6.93 C ATOM 524 OG SER A 347 24.584 8.043 -0.313 1.00 7.46 O ATOM 0 H SER A 347 20.766 7.380 0.672 1.00 5.76 H new ATOM 0 HA SER A 347 22.374 7.933 -1.743 1.00 6.15 H new ATOM 0 HB2 SER A 347 22.961 9.084 0.410 1.00 6.93 H new ATOM 0 HB3 SER A 347 23.229 7.517 1.146 1.00 6.93 H new ATOM 0 HG SER A 347 25.191 8.454 0.337 1.00 7.46 H new ATOM 530 N GLY A 348 22.020 5.110 -0.108 1.00 5.53 N ATOM 531 CA GLY A 348 22.170 3.677 -0.258 1.00 5.54 C ATOM 532 C GLY A 348 22.866 3.033 0.924 1.00 5.59 C ATOM 533 O GLY A 348 24.092 3.004 0.978 1.00 5.68 O ATOM 0 H GLY A 348 21.467 5.402 0.698 1.00 5.53 H new ATOM 0 HA2 GLY A 348 21.187 3.225 -0.385 1.00 5.54 H new ATOM 0 HA3 GLY A 348 22.737 3.469 -1.165 1.00 5.54 H new ATOM 537 N PRO A 349 22.106 2.507 1.898 1.00 5.91 N ATOM 538 CA PRO A 349 22.653 1.773 3.029 1.00 6.29 C ATOM 539 C PRO A 349 22.697 0.266 2.759 1.00 6.35 C ATOM 540 O PRO A 349 22.461 -0.546 3.654 1.00 6.32 O ATOM 541 CB PRO A 349 21.650 2.092 4.135 1.00 6.89 C ATOM 542 CG PRO A 349 20.338 2.238 3.432 1.00 6.91 C ATOM 543 CD PRO A 349 20.637 2.595 1.989 1.00 6.34 C ATOM 0 HA PRO A 349 23.681 2.050 3.264 1.00 6.29 H new ATOM 0 HB2 PRO A 349 21.614 1.295 4.878 1.00 6.89 H new ATOM 0 HB3 PRO A 349 21.920 3.007 4.662 1.00 6.89 H new ATOM 0 HG2 PRO A 349 19.767 1.311 3.488 1.00 6.91 H new ATOM 0 HG3 PRO A 349 19.734 3.014 3.903 1.00 6.91 H new ATOM 0 HD2 PRO A 349 20.152 1.905 1.298 1.00 6.34 H new ATOM 0 HD3 PRO A 349 20.281 3.595 1.743 1.00 6.34 H new ATOM 551 N SER A 350 22.983 -0.091 1.510 1.00 6.79 N ATOM 552 CA SER A 350 23.029 -1.485 1.086 1.00 7.31 C ATOM 553 C SER A 350 24.191 -2.221 1.757 1.00 7.44 C ATOM 554 O SER A 350 24.154 -3.445 1.919 1.00 7.86 O ATOM 555 CB SER A 350 23.148 -1.561 -0.441 1.00 8.11 C ATOM 556 OG SER A 350 22.953 -2.884 -0.911 1.00 8.24 O ATOM 0 H SER A 350 23.189 0.576 0.766 1.00 6.79 H new ATOM 0 HA SER A 350 22.104 -1.974 1.392 1.00 7.31 H new ATOM 0 HB2 SER A 350 22.412 -0.899 -0.898 1.00 8.11 H new ATOM 0 HB3 SER A 350 24.131 -1.205 -0.749 1.00 8.11 H new ATOM 0 HG SER A 350 23.033 -2.899 -1.888 1.00 8.24 H new ATOM 562 N GLY A 351 25.213 -1.464 2.151 1.00 7.35 N ATOM 563 CA GLY A 351 26.332 -2.027 2.880 1.00 7.72 C ATOM 564 C GLY A 351 25.893 -2.656 4.187 1.00 7.36 C ATOM 565 O GLY A 351 26.479 -3.645 4.631 1.00 7.91 O ATOM 0 H GLY A 351 25.283 -0.462 1.975 1.00 7.35 H new ATOM 0 HA2 GLY A 351 26.827 -2.778 2.264 1.00 7.72 H new ATOM 0 HA3 GLY A 351 27.065 -1.246 3.081 1.00 7.72 H new ATOM 569 N ASN A 352 24.868 -2.062 4.801 1.00 6.68 N ATOM 570 CA ASN A 352 24.231 -2.603 6.005 1.00 6.65 C ATOM 571 C ASN A 352 25.217 -2.656 7.171 1.00 6.74 C ATOM 572 O ASN A 352 25.083 -3.492 8.068 1.00 7.00 O ATOM 573 CB ASN A 352 23.664 -4.003 5.714 1.00 6.99 C ATOM 574 CG ASN A 352 22.451 -4.368 6.564 1.00 7.28 C ATOM 575 OD1 ASN A 352 22.362 -3.831 7.771 1.00 7.60 O flip ATOM 576 ND2 ASN A 352 21.596 -5.140 6.129 1.00 7.53 N flip ATOM 0 H ASN A 352 24.454 -1.188 4.476 1.00 6.68 H new ATOM 0 HA ASN A 352 23.413 -1.941 6.290 1.00 6.65 H new ATOM 0 HB2 ASN A 352 23.388 -4.061 4.661 1.00 6.99 H new ATOM 0 HB3 ASN A 352 24.447 -4.743 5.879 1.00 6.99 H new ATOM 0 HD21 ASN A 352 21.695 -5.536 5.194 1.00 7.53 H new ATOM 0 HD22 ASN A 352 20.789 -5.383 6.703 1.00 7.53 H new ATOM 583 N ASN A 353 26.199 -1.750 7.147 1.00 6.86 N ATOM 584 CA ASN A 353 27.256 -1.669 8.167 1.00 7.25 C ATOM 585 C ASN A 353 28.205 -2.864 8.063 1.00 7.06 C ATOM 586 O ASN A 353 29.411 -2.705 7.872 1.00 7.25 O ATOM 587 CB ASN A 353 26.657 -1.586 9.579 1.00 8.01 C ATOM 588 CG ASN A 353 27.694 -1.246 10.633 1.00 8.61 C ATOM 589 OD1 ASN A 353 28.347 -2.127 11.196 1.00 8.84 O ATOM 590 ND2 ASN A 353 27.837 0.035 10.923 1.00 9.15 N ATOM 0 H ASN A 353 26.286 -1.045 6.415 1.00 6.86 H new ATOM 0 HA ASN A 353 27.825 -0.757 7.983 1.00 7.25 H new ATOM 0 HB2 ASN A 353 25.870 -0.832 9.592 1.00 8.01 H new ATOM 0 HB3 ASN A 353 26.190 -2.539 9.828 1.00 8.01 H new ATOM 0 HD21 ASN A 353 28.507 0.325 11.635 1.00 9.15 H new ATOM 0 HD22 ASN A 353 27.278 0.734 10.434 1.00 9.15 H new ATOM 597 N GLN A 354 27.649 -4.053 8.196 1.00 6.98 N ATOM 598 CA GLN A 354 28.387 -5.292 8.044 1.00 7.10 C ATOM 599 C GLN A 354 27.434 -6.353 7.504 1.00 7.21 C ATOM 600 O GLN A 354 26.863 -7.135 8.261 1.00 7.45 O ATOM 601 CB GLN A 354 28.991 -5.725 9.386 1.00 7.49 C ATOM 602 CG GLN A 354 29.851 -6.977 9.307 1.00 7.80 C ATOM 603 CD GLN A 354 30.464 -7.348 10.645 1.00 8.26 C ATOM 604 OE1 GLN A 354 31.580 -6.931 10.970 1.00 8.50 O ATOM 605 NE2 GLN A 354 29.736 -8.117 11.439 1.00 8.68 N ATOM 0 H GLN A 354 26.662 -4.187 8.415 1.00 6.98 H new ATOM 0 HA GLN A 354 29.213 -5.154 7.346 1.00 7.10 H new ATOM 0 HB2 GLN A 354 29.594 -4.908 9.781 1.00 7.49 H new ATOM 0 HB3 GLN A 354 28.183 -5.897 10.097 1.00 7.49 H new ATOM 0 HG2 GLN A 354 29.245 -7.808 8.946 1.00 7.80 H new ATOM 0 HG3 GLN A 354 30.646 -6.822 8.578 1.00 7.80 H new ATOM 0 HE21 GLN A 354 28.818 -8.441 11.134 1.00 8.68 H new ATOM 0 HE22 GLN A 354 30.093 -8.385 12.356 1.00 8.68 H new ATOM 614 N ASN A 355 27.248 -6.349 6.191 1.00 7.39 N ATOM 615 CA ASN A 355 26.236 -7.188 5.551 1.00 7.86 C ATOM 616 C ASN A 355 26.678 -8.648 5.518 1.00 7.88 C ATOM 617 O ASN A 355 25.874 -9.553 5.748 1.00 8.43 O ATOM 618 CB ASN A 355 25.976 -6.686 4.125 1.00 8.36 C ATOM 619 CG ASN A 355 24.705 -7.240 3.499 1.00 9.04 C ATOM 620 OD1 ASN A 355 24.267 -8.350 3.797 1.00 9.34 O ATOM 621 ND2 ASN A 355 24.102 -6.460 2.617 1.00 9.55 N ATOM 0 H ASN A 355 27.786 -5.773 5.543 1.00 7.39 H new ATOM 0 HA ASN A 355 25.316 -7.125 6.132 1.00 7.86 H new ATOM 0 HB2 ASN A 355 25.918 -5.598 4.138 1.00 8.36 H new ATOM 0 HB3 ASN A 355 26.825 -6.953 3.496 1.00 8.36 H new ATOM 0 HD21 ASN A 355 23.246 -6.774 2.160 1.00 9.55 H new ATOM 0 HD22 ASN A 355 24.493 -5.545 2.394 1.00 9.55 H new ATOM 628 N GLN A 356 27.969 -8.863 5.255 1.00 7.55 N ATOM 629 CA GLN A 356 28.537 -10.210 5.140 1.00 7.79 C ATOM 630 C GLN A 356 27.880 -10.985 3.992 1.00 7.86 C ATOM 631 O GLN A 356 27.205 -10.400 3.143 1.00 8.00 O ATOM 632 CB GLN A 356 28.384 -10.972 6.465 1.00 8.09 C ATOM 633 CG GLN A 356 29.191 -10.377 7.607 1.00 8.51 C ATOM 634 CD GLN A 356 30.686 -10.507 7.406 1.00 8.98 C ATOM 635 OE1 GLN A 356 31.453 -9.644 7.822 1.00 9.12 O ATOM 636 NE2 GLN A 356 31.114 -11.599 6.794 1.00 9.48 N ATOM 0 H GLN A 356 28.647 -8.114 5.116 1.00 7.55 H new ATOM 0 HA GLN A 356 29.600 -10.114 4.917 1.00 7.79 H new ATOM 0 HB2 GLN A 356 27.331 -10.988 6.745 1.00 8.09 H new ATOM 0 HB3 GLN A 356 28.690 -12.008 6.316 1.00 8.09 H new ATOM 0 HG2 GLN A 356 28.935 -9.323 7.715 1.00 8.51 H new ATOM 0 HG3 GLN A 356 28.911 -10.870 8.538 1.00 8.51 H new ATOM 0 HE21 GLN A 356 30.445 -12.293 6.462 1.00 9.48 H new ATOM 0 HE22 GLN A 356 32.113 -11.746 6.654 1.00 9.48 H new ATOM 645 N GLY A 357 28.101 -12.293 3.951 1.00 8.09 N ATOM 646 CA GLY A 357 27.486 -13.114 2.924 1.00 8.52 C ATOM 647 C GLY A 357 28.341 -13.228 1.675 1.00 8.74 C ATOM 648 O GLY A 357 27.877 -13.697 0.638 1.00 9.34 O ATOM 0 H GLY A 357 28.694 -12.800 4.609 1.00 8.09 H new ATOM 0 HA2 GLY A 357 27.300 -14.111 3.324 1.00 8.52 H new ATOM 0 HA3 GLY A 357 26.517 -12.691 2.659 1.00 8.52 H new ATOM 652 N ASN A 358 29.595 -12.799 1.769 1.00 8.53 N ATOM 653 CA ASN A 358 30.480 -12.775 0.604 1.00 9.03 C ATOM 654 C ASN A 358 31.274 -14.069 0.460 1.00 9.56 C ATOM 655 O ASN A 358 32.008 -14.245 -0.513 1.00 9.97 O ATOM 656 CB ASN A 358 31.444 -11.585 0.676 1.00 8.90 C ATOM 657 CG ASN A 358 30.736 -10.253 0.512 1.00 9.11 C ATOM 658 OD1 ASN A 358 29.696 -10.169 -0.138 1.00 9.38 O ATOM 659 ND2 ASN A 358 31.300 -9.198 1.078 1.00 9.24 N ATOM 0 H ASN A 358 30.022 -12.465 2.633 1.00 8.53 H new ATOM 0 HA ASN A 358 29.842 -12.671 -0.273 1.00 9.03 H new ATOM 0 HB2 ASN A 358 31.965 -11.601 1.634 1.00 8.90 H new ATOM 0 HB3 ASN A 358 32.202 -11.688 -0.101 1.00 8.90 H new ATOM 0 HD21 ASN A 358 30.871 -8.277 0.982 1.00 9.24 H new ATOM 0 HD22 ASN A 358 32.163 -9.305 1.610 1.00 9.24 H new ATOM 666 N MET A 359 31.133 -14.975 1.416 1.00 9.75 N ATOM 667 CA MET A 359 31.870 -16.235 1.380 1.00 10.44 C ATOM 668 C MET A 359 30.934 -17.398 1.087 1.00 10.94 C ATOM 669 O MET A 359 29.970 -17.635 1.818 1.00 10.94 O ATOM 670 CB MET A 359 32.617 -16.482 2.697 1.00 10.66 C ATOM 671 CG MET A 359 33.786 -15.535 2.934 1.00 10.96 C ATOM 672 SD MET A 359 33.268 -13.865 3.399 1.00 11.53 S ATOM 673 CE MET A 359 32.561 -14.178 5.015 1.00 12.03 C ATOM 0 H MET A 359 30.519 -14.865 2.223 1.00 9.75 H new ATOM 0 HA MET A 359 32.605 -16.162 0.578 1.00 10.44 H new ATOM 0 HB2 MET A 359 31.914 -16.389 3.525 1.00 10.66 H new ATOM 0 HB3 MET A 359 32.986 -17.508 2.706 1.00 10.66 H new ATOM 0 HG2 MET A 359 34.422 -15.943 3.720 1.00 10.96 H new ATOM 0 HG3 MET A 359 34.391 -15.482 2.029 1.00 10.96 H new ATOM 0 HE1 MET A 359 31.481 -14.037 4.973 1.00 12.03 H new ATOM 0 HE2 MET A 359 32.782 -15.202 5.317 1.00 12.03 H new ATOM 0 HE3 MET A 359 32.989 -13.486 5.740 1.00 12.03 H new ATOM 683 N GLN A 360 31.219 -18.120 0.017 1.00 11.57 N ATOM 684 CA GLN A 360 30.393 -19.246 -0.385 1.00 12.30 C ATOM 685 C GLN A 360 30.965 -20.548 0.172 1.00 12.97 C ATOM 686 O GLN A 360 30.531 -20.967 1.265 1.00 13.47 O ATOM 687 CB GLN A 360 30.289 -19.308 -1.915 1.00 12.66 C ATOM 688 CG GLN A 360 29.402 -20.432 -2.433 1.00 12.82 C ATOM 689 CD GLN A 360 29.238 -20.399 -3.940 1.00 13.18 C ATOM 690 OE1 GLN A 360 28.306 -19.785 -4.464 1.00 13.44 O ATOM 691 NE2 GLN A 360 30.153 -21.038 -4.653 1.00 13.37 N ATOM 692 OXT GLN A 360 31.862 -21.135 -0.468 1.00 13.14 O ATOM 0 H GLN A 360 32.019 -17.946 -0.591 1.00 11.57 H new ATOM 0 HA GLN A 360 29.391 -19.111 0.022 1.00 12.30 H new ATOM 0 HB2 GLN A 360 29.903 -18.357 -2.281 1.00 12.66 H new ATOM 0 HB3 GLN A 360 31.289 -19.427 -2.332 1.00 12.66 H new ATOM 0 HG2 GLN A 360 29.828 -21.391 -2.139 1.00 12.82 H new ATOM 0 HG3 GLN A 360 28.421 -20.362 -1.963 1.00 12.82 H new ATOM 0 HE21 GLN A 360 30.910 -21.535 -4.183 1.00 13.37 H new ATOM 0 HE22 GLN A 360 30.101 -21.033 -5.672 1.00 13.37 H new TER 701 GLN A 360