USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 257 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 22 ASN : amide:sc= 0.324 K(o=0.73,f=-2.9!) USER MOD Set 1.2: A 26 LYS NZ :NH3+ -125:sc= 0.408 (180deg=0) USER MOD Single : A 1 TRP N :NH3+ 154:sc= 0.00612 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc=-0.000524 K(o=-0.00052,f=-0.88) USER MOD Single : A 9 ASN : amide:sc= -0.219 K(o=-0.22,f=-3!) USER MOD Single : A 11 GLN : amide:sc= -3.73! K(o=-3.7!,f=-0.51) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 3.015 -5.665 1.837 1.00 42.52 N ATOM 2 CA TRP A 1 2.163 -5.104 0.794 1.00 30.21 C ATOM 3 C TRP A 1 2.928 -4.088 -0.046 1.00 50.14 C ATOM 4 O TRP A 1 2.816 -2.882 0.167 1.00 2.55 O ATOM 5 CB TRP A 1 0.929 -4.446 1.414 1.00 22.31 C ATOM 6 CG TRP A 1 -0.110 -5.431 1.858 1.00 65.41 C ATOM 7 CD1 TRP A 1 -0.535 -6.536 1.177 1.00 20.32 C ATOM 8 CD2 TRP A 1 -0.854 -5.399 3.080 1.00 35.21 C ATOM 9 NE1 TRP A 1 -1.500 -7.193 1.903 1.00 43.13 N ATOM 10 CE2 TRP A 1 -1.713 -6.516 3.074 1.00 20.03 C ATOM 11 CE3 TRP A 1 -0.878 -4.537 4.180 1.00 74.13 C ATOM 12 CZ2 TRP A 1 -2.585 -6.790 4.125 1.00 41.33 C ATOM 13 CZ3 TRP A 1 -1.745 -4.810 5.221 1.00 4.02 C ATOM 14 CH2 TRP A 1 -2.588 -5.929 5.188 1.00 5.24 C ATOM 0 H1 TRP A 1 2.426 -5.985 2.632 1.00 42.52 H new ATOM 0 H2 TRP A 1 3.547 -6.472 1.454 1.00 42.52 H new ATOM 0 H3 TRP A 1 3.681 -4.938 2.170 1.00 42.52 H new ATOM 0 HA TRP A 1 1.844 -5.918 0.143 1.00 30.21 H new ATOM 0 HB2 TRP A 1 1.238 -3.844 2.269 1.00 22.31 H new ATOM 0 HB3 TRP A 1 0.486 -3.764 0.688 1.00 22.31 H new ATOM 0 HD1 TRP A 1 -0.167 -6.848 0.211 1.00 20.32 H new ATOM 0 HE1 TRP A 1 -1.979 -8.046 1.616 1.00 43.13 H new ATOM 0 HE3 TRP A 1 -0.231 -3.673 4.216 1.00 74.13 H new ATOM 0 HZ2 TRP A 1 -3.236 -7.652 4.102 1.00 41.33 H new ATOM 0 HZ3 TRP A 1 -1.773 -4.149 6.075 1.00 4.02 H new ATOM 0 HH2 TRP A 1 -3.253 -6.115 6.018 1.00 5.24 H new ATOM 25 N GLY A 2 3.706 -4.584 -1.004 1.00 53.42 N ATOM 26 CA GLY A 2 4.478 -3.704 -1.862 1.00 73.15 C ATOM 27 C GLY A 2 5.063 -4.428 -3.059 1.00 31.34 C ATOM 28 O GLY A 2 4.882 -5.636 -3.210 1.00 70.44 O ATOM 0 H GLY A 2 3.815 -5.579 -1.201 1.00 53.42 H new ATOM 0 HA2 GLY A 2 3.842 -2.890 -2.209 1.00 73.15 H new ATOM 0 HA3 GLY A 2 5.285 -3.254 -1.284 1.00 73.15 H new ATOM 32 N TRP A 3 5.764 -3.689 -3.910 1.00 63.22 N ATOM 33 CA TRP A 3 6.377 -4.269 -5.101 1.00 15.35 C ATOM 34 C TRP A 3 7.226 -5.483 -4.740 1.00 14.42 C ATOM 35 O TRP A 3 7.321 -6.438 -5.511 1.00 13.22 O ATOM 36 CB TRP A 3 7.235 -3.225 -5.817 1.00 71.22 C ATOM 37 CG TRP A 3 6.430 -2.200 -6.557 1.00 74.32 C ATOM 38 CD1 TRP A 3 5.538 -1.315 -6.021 1.00 62.23 C ATOM 39 CD2 TRP A 3 6.441 -1.957 -7.968 1.00 3.41 C ATOM 40 NE1 TRP A 3 4.995 -0.536 -7.014 1.00 50.11 N ATOM 41 CE2 TRP A 3 5.533 -0.909 -8.217 1.00 42.12 C ATOM 42 CE3 TRP A 3 7.132 -2.520 -9.044 1.00 52.45 C ATOM 43 CZ2 TRP A 3 5.299 -0.416 -9.498 1.00 70.32 C ATOM 44 CZ3 TRP A 3 6.898 -2.030 -10.315 1.00 50.23 C ATOM 45 CH2 TRP A 3 5.989 -0.986 -10.534 1.00 34.34 C ATOM 0 H TRP A 3 5.923 -2.688 -3.799 1.00 63.22 H new ATOM 0 HA TRP A 3 5.579 -4.593 -5.769 1.00 15.35 H new ATOM 0 HB2 TRP A 3 7.867 -2.721 -5.086 1.00 71.22 H new ATOM 0 HB3 TRP A 3 7.899 -3.730 -6.518 1.00 71.22 H new ATOM 0 HD1 TRP A 3 5.295 -1.239 -4.971 1.00 62.23 H new ATOM 0 HE1 TRP A 3 4.303 0.201 -6.877 1.00 50.11 H new ATOM 0 HE3 TRP A 3 7.836 -3.323 -8.885 1.00 52.45 H new ATOM 0 HZ2 TRP A 3 4.598 0.388 -9.668 1.00 70.32 H new ATOM 0 HZ3 TRP A 3 7.425 -2.459 -11.154 1.00 50.23 H new ATOM 0 HH2 TRP A 3 5.830 -0.624 -11.539 1.00 34.34 H new ATOM 56 N LYS A 4 7.842 -5.440 -3.563 1.00 54.13 N ATOM 57 CA LYS A 4 8.682 -6.537 -3.099 1.00 21.11 C ATOM 58 C LYS A 4 7.882 -7.832 -3.002 1.00 20.11 C ATOM 59 O LYS A 4 8.335 -8.886 -3.446 1.00 61.32 O ATOM 60 CB LYS A 4 9.292 -6.198 -1.737 1.00 33.54 C ATOM 61 CG LYS A 4 10.287 -7.234 -1.241 1.00 52.43 C ATOM 62 CD LYS A 4 11.412 -7.448 -2.240 1.00 33.30 C ATOM 63 CE LYS A 4 12.582 -8.188 -1.610 1.00 43.34 C ATOM 64 NZ LYS A 4 13.554 -8.662 -2.634 1.00 71.43 N ATOM 0 H LYS A 4 7.775 -4.657 -2.913 1.00 54.13 H new ATOM 0 HA LYS A 4 9.483 -6.680 -3.824 1.00 21.11 H new ATOM 0 HB2 LYS A 4 9.790 -5.230 -1.802 1.00 33.54 H new ATOM 0 HB3 LYS A 4 8.491 -6.096 -1.005 1.00 33.54 H new ATOM 0 HG2 LYS A 4 10.703 -6.913 -0.286 1.00 52.43 H new ATOM 0 HG3 LYS A 4 9.772 -8.178 -1.063 1.00 52.43 H new ATOM 0 HD2 LYS A 4 11.039 -8.014 -3.094 1.00 33.30 H new ATOM 0 HD3 LYS A 4 11.751 -6.484 -2.620 1.00 33.30 H new ATOM 0 HE2 LYS A 4 13.090 -7.531 -0.904 1.00 43.34 H new ATOM 0 HE3 LYS A 4 12.209 -9.040 -1.041 1.00 43.34 H new ATOM 0 HZ1 LYS A 4 14.337 -9.161 -2.165 1.00 71.43 H new ATOM 0 HZ2 LYS A 4 13.076 -9.309 -3.293 1.00 71.43 H new ATOM 0 HZ3 LYS A 4 13.929 -7.847 -3.160 1.00 71.43 H new ATOM 78 N GLU A 5 6.690 -7.744 -2.420 1.00 2.04 N ATOM 79 CA GLU A 5 5.828 -8.910 -2.266 1.00 12.31 C ATOM 80 C GLU A 5 5.251 -9.341 -3.611 1.00 54.41 C ATOM 81 O GLU A 5 5.067 -10.531 -3.868 1.00 53.50 O ATOM 82 CB GLU A 5 4.693 -8.607 -1.285 1.00 41.41 C ATOM 83 CG GLU A 5 5.088 -8.773 0.173 1.00 51.03 C ATOM 84 CD GLU A 5 5.548 -10.181 0.495 1.00 33.44 C ATOM 85 OE1 GLU A 5 5.193 -11.109 -0.262 1.00 45.25 O ATOM 86 OE2 GLU A 5 6.261 -10.357 1.505 1.00 0.52 O ATOM 0 H GLU A 5 6.300 -6.878 -2.048 1.00 2.04 H new ATOM 0 HA GLU A 5 6.432 -9.727 -1.871 1.00 12.31 H new ATOM 0 HB2 GLU A 5 4.349 -7.585 -1.445 1.00 41.41 H new ATOM 0 HB3 GLU A 5 3.851 -9.265 -1.502 1.00 41.41 H new ATOM 0 HG2 GLU A 5 5.886 -8.070 0.412 1.00 51.03 H new ATOM 0 HG3 GLU A 5 4.239 -8.518 0.807 1.00 51.03 H new ATOM 93 N VAL A 6 4.966 -8.364 -4.467 1.00 0.24 N ATOM 94 CA VAL A 6 4.410 -8.641 -5.786 1.00 1.43 C ATOM 95 C VAL A 6 5.316 -9.576 -6.578 1.00 73.54 C ATOM 96 O VAL A 6 4.876 -10.618 -7.065 1.00 64.41 O ATOM 97 CB VAL A 6 4.201 -7.344 -6.590 1.00 14.21 C ATOM 98 CG1 VAL A 6 3.642 -7.655 -7.970 1.00 31.41 C ATOM 99 CG2 VAL A 6 3.283 -6.393 -5.837 1.00 1.44 C ATOM 0 H VAL A 6 5.111 -7.374 -4.270 1.00 0.24 H new ATOM 0 HA VAL A 6 3.445 -9.122 -5.629 1.00 1.43 H new ATOM 0 HB VAL A 6 5.168 -6.856 -6.717 1.00 14.21 H new ATOM 0 HG11 VAL A 6 3.501 -6.726 -8.523 1.00 31.41 H new ATOM 0 HG12 VAL A 6 4.339 -8.296 -8.509 1.00 31.41 H new ATOM 0 HG13 VAL A 6 2.684 -8.166 -7.868 1.00 31.41 H new ATOM 0 HG21 VAL A 6 3.146 -5.482 -6.419 1.00 1.44 H new ATOM 0 HG22 VAL A 6 2.316 -6.870 -5.678 1.00 1.44 H new ATOM 0 HG23 VAL A 6 3.728 -6.144 -4.874 1.00 1.44 H new ATOM 109 N VAL A 7 6.584 -9.198 -6.704 1.00 72.11 N ATOM 110 CA VAL A 7 7.553 -10.004 -7.436 1.00 62.24 C ATOM 111 C VAL A 7 7.795 -11.339 -6.741 1.00 3.12 C ATOM 112 O VAL A 7 7.977 -12.366 -7.394 1.00 52.12 O ATOM 113 CB VAL A 7 8.896 -9.266 -7.589 1.00 4.14 C ATOM 114 CG1 VAL A 7 9.838 -10.050 -8.490 1.00 30.35 C ATOM 115 CG2 VAL A 7 8.674 -7.862 -8.130 1.00 13.21 C ATOM 0 H VAL A 7 6.964 -8.338 -6.308 1.00 72.11 H new ATOM 0 HA VAL A 7 7.132 -10.184 -8.425 1.00 62.24 H new ATOM 0 HB VAL A 7 9.358 -9.183 -6.605 1.00 4.14 H new ATOM 0 HG11 VAL A 7 10.781 -9.512 -8.586 1.00 30.35 H new ATOM 0 HG12 VAL A 7 10.023 -11.033 -8.056 1.00 30.35 H new ATOM 0 HG13 VAL A 7 9.386 -10.168 -9.475 1.00 30.35 H new ATOM 0 HG21 VAL A 7 9.634 -7.355 -8.232 1.00 13.21 H new ATOM 0 HG22 VAL A 7 8.189 -7.920 -9.105 1.00 13.21 H new ATOM 0 HG23 VAL A 7 8.040 -7.303 -7.442 1.00 13.21 H new ATOM 125 N GLN A 8 7.796 -11.316 -5.412 1.00 2.21 N ATOM 126 CA GLN A 8 8.016 -12.525 -4.628 1.00 24.15 C ATOM 127 C GLN A 8 7.015 -13.611 -5.008 1.00 43.24 C ATOM 128 O GLN A 8 7.287 -14.801 -4.853 1.00 54.41 O ATOM 129 CB GLN A 8 7.908 -12.216 -3.133 1.00 74.04 C ATOM 130 CG GLN A 8 8.242 -13.400 -2.241 1.00 63.42 C ATOM 131 CD GLN A 8 9.729 -13.696 -2.197 1.00 15.13 C ATOM 132 OE1 GLN A 8 10.556 -12.786 -2.252 1.00 1.21 O ATOM 133 NE2 GLN A 8 10.076 -14.974 -2.096 1.00 54.31 N ATOM 0 H GLN A 8 7.647 -10.474 -4.856 1.00 2.21 H new ATOM 0 HA GLN A 8 9.020 -12.890 -4.845 1.00 24.15 H new ATOM 0 HB2 GLN A 8 8.577 -11.390 -2.892 1.00 74.04 H new ATOM 0 HB3 GLN A 8 6.895 -11.880 -2.912 1.00 74.04 H new ATOM 0 HG2 GLN A 8 7.885 -13.201 -1.231 1.00 63.42 H new ATOM 0 HG3 GLN A 8 7.710 -14.281 -2.599 1.00 63.42 H new ATOM 0 HE21 GLN A 8 9.357 -15.696 -2.053 1.00 54.31 H new ATOM 0 HE22 GLN A 8 11.062 -15.234 -2.061 1.00 54.31 H new ATOM 142 N ASN A 9 5.857 -13.192 -5.508 1.00 11.04 N ATOM 143 CA ASN A 9 4.814 -14.129 -5.910 1.00 25.21 C ATOM 144 C ASN A 9 5.071 -14.656 -7.319 1.00 14.32 C ATOM 145 O ASN A 9 4.639 -15.753 -7.671 1.00 2.22 O ATOM 146 CB ASN A 9 3.442 -13.456 -5.847 1.00 1.23 C ATOM 147 CG ASN A 9 3.007 -13.163 -4.424 1.00 10.51 C ATOM 148 OD1 ASN A 9 3.835 -12.896 -3.552 1.00 54.44 O ATOM 149 ND2 ASN A 9 1.702 -13.211 -4.182 1.00 61.24 N ATOM 0 H ASN A 9 5.617 -12.210 -5.644 1.00 11.04 H new ATOM 0 HA ASN A 9 4.829 -14.971 -5.218 1.00 25.21 H new ATOM 0 HB2 ASN A 9 3.470 -12.526 -6.414 1.00 1.23 H new ATOM 0 HB3 ASN A 9 2.703 -14.099 -6.325 1.00 1.23 H new ATOM 0 HD21 ASN A 9 1.350 -13.022 -3.243 1.00 61.24 H new ATOM 0 HD22 ASN A 9 1.052 -13.436 -4.935 1.00 61.24 H new ATOM 156 N GLY A 10 5.777 -13.865 -8.121 1.00 53.22 N ATOM 157 CA GLY A 10 6.079 -14.268 -9.482 1.00 73.11 C ATOM 158 C GLY A 10 7.327 -15.123 -9.570 1.00 21.52 C ATOM 159 O GLY A 10 7.454 -15.956 -10.467 1.00 60.20 O ATOM 0 H GLY A 10 6.145 -12.952 -7.853 1.00 53.22 H new ATOM 0 HA2 GLY A 10 5.233 -14.822 -9.890 1.00 73.11 H new ATOM 0 HA3 GLY A 10 6.206 -13.380 -10.101 1.00 73.11 H new ATOM 163 N GLN A 11 8.251 -14.917 -8.637 1.00 40.41 N ATOM 164 CA GLN A 11 9.497 -15.674 -8.615 1.00 74.31 C ATOM 165 C GLN A 11 9.323 -16.985 -7.855 1.00 71.44 C ATOM 166 O GLN A 11 9.866 -18.019 -8.246 1.00 64.12 O ATOM 167 CB GLN A 11 10.612 -14.845 -7.976 1.00 14.30 C ATOM 168 CG GLN A 11 10.329 -14.454 -6.534 1.00 64.32 C ATOM 169 CD GLN A 11 11.368 -13.503 -5.973 1.00 62.50 C ATOM 170 OE1 GLN A 11 12.195 -13.887 -5.145 1.00 33.12 O ATOM 171 NE2 GLN A 11 11.332 -12.254 -6.422 1.00 72.42 N ATOM 0 H GLN A 11 8.160 -14.232 -7.886 1.00 40.41 H new ATOM 0 HA GLN A 11 9.771 -15.905 -9.645 1.00 74.31 H new ATOM 0 HB2 GLN A 11 11.542 -15.412 -8.014 1.00 14.30 H new ATOM 0 HB3 GLN A 11 10.765 -13.941 -8.566 1.00 14.30 H new ATOM 0 HG2 GLN A 11 9.345 -13.988 -6.474 1.00 64.32 H new ATOM 0 HG3 GLN A 11 10.294 -15.353 -5.918 1.00 64.32 H new ATOM 0 HE21 GLN A 11 10.629 -11.979 -7.108 1.00 72.42 H new ATOM 0 HE22 GLN A 11 12.007 -11.570 -6.081 1.00 72.42 H new ATOM 180 N THR A 12 8.562 -16.936 -6.766 1.00 72.45 N ATOM 181 CA THR A 12 8.318 -18.119 -5.951 1.00 34.31 C ATOM 182 C THR A 12 7.820 -19.281 -6.803 1.00 21.42 C ATOM 183 O THR A 12 8.059 -20.446 -6.481 1.00 15.23 O ATOM 184 CB THR A 12 7.288 -17.834 -4.841 1.00 3.30 C ATOM 185 OG1 THR A 12 7.047 -19.022 -4.079 1.00 40.11 O ATOM 186 CG2 THR A 12 5.980 -17.330 -5.432 1.00 64.15 C ATOM 0 H THR A 12 8.104 -16.089 -6.428 1.00 72.45 H new ATOM 0 HA THR A 12 9.270 -18.389 -5.494 1.00 34.31 H new ATOM 0 HB THR A 12 7.695 -17.061 -4.189 1.00 3.30 H new ATOM 0 HG1 THR A 12 6.393 -18.832 -3.375 1.00 40.11 H new ATOM 0 HG21 THR A 12 5.269 -17.136 -4.629 1.00 64.15 H new ATOM 0 HG22 THR A 12 6.162 -16.409 -5.986 1.00 64.15 H new ATOM 0 HG23 THR A 12 5.571 -18.083 -6.105 1.00 64.15 H new ATOM 194 N ILE A 13 7.129 -18.958 -7.890 1.00 72.15 N ATOM 195 CA ILE A 13 6.600 -19.976 -8.789 1.00 74.23 C ATOM 196 C ILE A 13 7.582 -20.280 -9.915 1.00 41.34 C ATOM 197 O ILE A 13 7.596 -21.383 -10.461 1.00 72.23 O ATOM 198 CB ILE A 13 5.254 -19.543 -9.400 1.00 72.33 C ATOM 199 CG1 ILE A 13 4.281 -19.119 -8.298 1.00 22.42 C ATOM 200 CG2 ILE A 13 4.662 -20.672 -10.231 1.00 52.12 C ATOM 201 CD1 ILE A 13 3.979 -20.218 -7.303 1.00 72.54 C ATOM 0 H ILE A 13 6.922 -17.999 -8.170 1.00 72.15 H new ATOM 0 HA ILE A 13 6.447 -20.875 -8.192 1.00 74.23 H new ATOM 0 HB ILE A 13 5.427 -18.688 -10.054 1.00 72.33 H new ATOM 0 HG12 ILE A 13 4.697 -18.263 -7.767 1.00 22.42 H new ATOM 0 HG13 ILE A 13 3.349 -18.788 -8.755 1.00 22.42 H new ATOM 0 HG21 ILE A 13 3.711 -20.351 -10.656 1.00 52.12 H new ATOM 0 HG22 ILE A 13 5.350 -20.931 -11.036 1.00 52.12 H new ATOM 0 HG23 ILE A 13 4.500 -21.544 -9.597 1.00 52.12 H new ATOM 0 HD11 ILE A 13 3.283 -19.847 -6.551 1.00 72.54 H new ATOM 0 HD12 ILE A 13 3.533 -21.067 -7.822 1.00 72.54 H new ATOM 0 HD13 ILE A 13 4.903 -20.534 -6.818 1.00 72.54 H new ATOM 213 N PHE A 14 8.405 -19.294 -10.257 1.00 53.43 N ATOM 214 CA PHE A 14 9.392 -19.455 -11.318 1.00 42.11 C ATOM 215 C PHE A 14 10.565 -20.309 -10.844 1.00 51.53 C ATOM 216 O PHE A 14 10.873 -21.343 -11.436 1.00 75.11 O ATOM 217 CB PHE A 14 9.898 -18.088 -11.786 1.00 35.44 C ATOM 218 CG PHE A 14 11.023 -18.172 -12.776 1.00 64.53 C ATOM 219 CD1 PHE A 14 10.780 -18.528 -14.093 1.00 40.11 C ATOM 220 CD2 PHE A 14 12.325 -17.897 -12.390 1.00 42.54 C ATOM 221 CE1 PHE A 14 11.814 -18.606 -15.007 1.00 53.24 C ATOM 222 CE2 PHE A 14 13.363 -17.972 -13.300 1.00 72.42 C ATOM 223 CZ PHE A 14 13.107 -18.329 -14.610 1.00 10.30 C ATOM 0 H PHE A 14 8.408 -18.375 -9.815 1.00 53.43 H new ATOM 0 HA PHE A 14 8.910 -19.962 -12.154 1.00 42.11 H new ATOM 0 HB2 PHE A 14 9.071 -17.537 -12.234 1.00 35.44 H new ATOM 0 HB3 PHE A 14 10.229 -17.516 -10.919 1.00 35.44 H new ATOM 0 HD1 PHE A 14 9.771 -18.747 -14.409 1.00 40.11 H new ATOM 0 HD2 PHE A 14 12.531 -17.621 -11.366 1.00 42.54 H new ATOM 0 HE1 PHE A 14 11.611 -18.883 -16.031 1.00 53.24 H new ATOM 0 HE2 PHE A 14 14.373 -17.752 -12.987 1.00 72.42 H new ATOM 0 HZ PHE A 14 13.917 -18.391 -15.322 1.00 10.30 H new ATOM 233 N SER A 15 11.216 -19.867 -9.773 1.00 40.51 N ATOM 234 CA SER A 15 12.358 -20.587 -9.222 1.00 12.45 C ATOM 235 C SER A 15 11.975 -22.020 -8.865 1.00 44.02 C ATOM 236 O SER A 15 12.775 -22.943 -9.017 1.00 73.22 O ATOM 237 CB SER A 15 12.892 -19.866 -7.982 1.00 73.11 C ATOM 238 OG SER A 15 13.852 -20.659 -7.305 1.00 53.23 O ATOM 0 H SER A 15 10.972 -19.014 -9.270 1.00 40.51 H new ATOM 0 HA SER A 15 13.139 -20.616 -9.982 1.00 12.45 H new ATOM 0 HB2 SER A 15 13.341 -18.917 -8.274 1.00 73.11 H new ATOM 0 HB3 SER A 15 12.067 -19.634 -7.309 1.00 73.11 H new ATOM 0 HG SER A 15 14.179 -20.176 -6.518 1.00 53.23 H new ATOM 244 N ALA A 16 10.747 -22.197 -8.390 1.00 70.20 N ATOM 245 CA ALA A 16 10.257 -23.517 -8.014 1.00 34.34 C ATOM 246 C ALA A 16 10.076 -24.406 -9.240 1.00 15.25 C ATOM 247 O ALA A 16 10.302 -25.614 -9.182 1.00 11.32 O ATOM 248 CB ALA A 16 8.947 -23.395 -7.249 1.00 75.54 C ATOM 0 H ALA A 16 10.073 -21.443 -8.256 1.00 70.20 H new ATOM 0 HA ALA A 16 11.001 -23.983 -7.367 1.00 34.34 H new ATOM 0 HB1 ALA A 16 8.592 -24.388 -6.974 1.00 75.54 H new ATOM 0 HB2 ALA A 16 9.106 -22.804 -6.347 1.00 75.54 H new ATOM 0 HB3 ALA A 16 8.203 -22.905 -7.877 1.00 75.54 H new ATOM 254 N GLY A 17 9.665 -23.799 -10.349 1.00 71.12 N ATOM 255 CA GLY A 17 9.460 -24.551 -11.573 1.00 75.23 C ATOM 256 C GLY A 17 10.666 -25.389 -11.948 1.00 73.31 C ATOM 257 O GLY A 17 10.528 -26.442 -12.570 1.00 32.55 O ATOM 0 H GLY A 17 9.470 -22.800 -10.422 1.00 71.12 H new ATOM 0 HA2 GLY A 17 8.593 -25.201 -11.456 1.00 75.23 H new ATOM 0 HA3 GLY A 17 9.234 -23.861 -12.386 1.00 75.23 H new ATOM 261 N GLN A 18 11.851 -24.920 -11.571 1.00 74.00 N ATOM 262 CA GLN A 18 13.086 -25.633 -11.874 1.00 72.21 C ATOM 263 C GLN A 18 13.447 -26.599 -10.750 1.00 54.12 C ATOM 264 O GLN A 18 14.126 -27.602 -10.973 1.00 14.45 O ATOM 265 CB GLN A 18 14.230 -24.643 -12.098 1.00 54.34 C ATOM 266 CG GLN A 18 13.936 -23.607 -13.172 1.00 31.02 C ATOM 267 CD GLN A 18 14.940 -22.471 -13.177 1.00 62.55 C ATOM 268 OE1 GLN A 18 16.116 -22.666 -12.869 1.00 2.14 O ATOM 269 NE2 GLN A 18 14.481 -21.276 -13.530 1.00 30.40 N ATOM 0 H GLN A 18 11.982 -24.050 -11.055 1.00 74.00 H new ATOM 0 HA GLN A 18 12.929 -26.208 -12.786 1.00 72.21 H new ATOM 0 HB2 GLN A 18 14.445 -24.131 -11.160 1.00 54.34 H new ATOM 0 HB3 GLN A 18 15.129 -25.195 -12.373 1.00 54.34 H new ATOM 0 HG2 GLN A 18 13.936 -24.091 -14.148 1.00 31.02 H new ATOM 0 HG3 GLN A 18 12.936 -23.202 -13.017 1.00 31.02 H new ATOM 0 HE21 GLN A 18 13.498 -21.160 -13.778 1.00 30.40 H new ATOM 0 HE22 GLN A 18 15.111 -20.474 -13.554 1.00 30.40 H new ATOM 278 N LYS A 19 12.988 -26.290 -9.542 1.00 24.22 N ATOM 279 CA LYS A 19 13.261 -27.130 -8.382 1.00 25.32 C ATOM 280 C LYS A 19 12.627 -28.508 -8.546 1.00 14.40 C ATOM 281 O LYS A 19 13.323 -29.523 -8.588 1.00 43.54 O ATOM 282 CB LYS A 19 12.736 -26.463 -7.108 1.00 64.54 C ATOM 283 CG LYS A 19 13.735 -25.522 -6.459 1.00 4.05 C ATOM 284 CD LYS A 19 13.419 -25.301 -4.989 1.00 12.31 C ATOM 285 CE LYS A 19 14.666 -24.933 -4.199 1.00 73.42 C ATOM 286 NZ LYS A 19 15.387 -26.140 -3.708 1.00 73.30 N ATOM 0 H LYS A 19 12.425 -25.464 -9.341 1.00 24.22 H new ATOM 0 HA LYS A 19 14.341 -27.254 -8.301 1.00 25.32 H new ATOM 0 HB2 LYS A 19 11.828 -25.908 -7.346 1.00 64.54 H new ATOM 0 HB3 LYS A 19 12.459 -27.236 -6.391 1.00 64.54 H new ATOM 0 HG2 LYS A 19 14.740 -25.932 -6.558 1.00 4.05 H new ATOM 0 HG3 LYS A 19 13.728 -24.565 -6.982 1.00 4.05 H new ATOM 0 HD2 LYS A 19 12.678 -24.508 -4.891 1.00 12.31 H new ATOM 0 HD3 LYS A 19 12.976 -26.205 -4.571 1.00 12.31 H new ATOM 0 HE2 LYS A 19 15.333 -24.342 -4.827 1.00 73.42 H new ATOM 0 HE3 LYS A 19 14.388 -24.306 -3.352 1.00 73.42 H new ATOM 0 HZ1 LYS A 19 16.231 -25.847 -3.175 1.00 73.30 H new ATOM 0 HZ2 LYS A 19 14.759 -26.691 -3.088 1.00 73.30 H new ATOM 0 HZ3 LYS A 19 15.675 -26.726 -4.518 1.00 73.30 H new ATOM 300 N LEU A 20 11.302 -28.536 -8.639 1.00 52.22 N ATOM 301 CA LEU A 20 10.573 -29.789 -8.801 1.00 33.14 C ATOM 302 C LEU A 20 10.941 -30.468 -10.116 1.00 3.01 C ATOM 303 O LEU A 20 11.068 -31.690 -10.181 1.00 44.13 O ATOM 304 CB LEU A 20 9.065 -29.535 -8.750 1.00 22.15 C ATOM 305 CG LEU A 20 8.552 -28.367 -9.592 1.00 44.31 C ATOM 306 CD1 LEU A 20 7.638 -28.868 -10.700 1.00 5.24 C ATOM 307 CD2 LEU A 20 7.827 -27.355 -8.716 1.00 61.43 C ATOM 0 H LEU A 20 10.711 -27.706 -8.605 1.00 52.22 H new ATOM 0 HA LEU A 20 10.852 -30.451 -7.981 1.00 33.14 H new ATOM 0 HB2 LEU A 20 8.553 -30.442 -9.073 1.00 22.15 H new ATOM 0 HB3 LEU A 20 8.781 -29.361 -7.712 1.00 22.15 H new ATOM 0 HG LEU A 20 9.408 -27.872 -10.051 1.00 44.31 H new ATOM 0 HD11 LEU A 20 7.283 -28.022 -11.289 1.00 5.24 H new ATOM 0 HD12 LEU A 20 8.189 -29.553 -11.344 1.00 5.24 H new ATOM 0 HD13 LEU A 20 6.786 -29.388 -10.262 1.00 5.24 H new ATOM 0 HD21 LEU A 20 7.469 -26.531 -9.333 1.00 61.43 H new ATOM 0 HD22 LEU A 20 6.980 -27.837 -8.227 1.00 61.43 H new ATOM 0 HD23 LEU A 20 8.512 -26.972 -7.960 1.00 61.43 H new ATOM 319 N GLY A 21 11.114 -29.666 -11.162 1.00 52.22 N ATOM 320 CA GLY A 21 11.468 -30.207 -12.461 1.00 44.13 C ATOM 321 C GLY A 21 12.673 -31.124 -12.398 1.00 22.51 C ATOM 322 O GLY A 21 12.659 -32.218 -12.962 1.00 44.40 O ATOM 0 H GLY A 21 11.015 -28.651 -11.133 1.00 52.22 H new ATOM 0 HA2 GLY A 21 10.618 -30.756 -12.866 1.00 44.13 H new ATOM 0 HA3 GLY A 21 11.675 -29.387 -13.149 1.00 44.13 H new ATOM 326 N ASN A 22 13.719 -30.678 -11.710 1.00 64.32 N ATOM 327 CA ASN A 22 14.939 -31.467 -11.577 1.00 42.42 C ATOM 328 C ASN A 22 14.635 -32.846 -11.000 1.00 4.45 C ATOM 329 O ASN A 22 15.351 -33.811 -11.263 1.00 24.34 O ATOM 330 CB ASN A 22 15.947 -30.739 -10.686 1.00 1.53 C ATOM 331 CG ASN A 22 17.361 -31.257 -10.868 1.00 54.43 C ATOM 332 OD1 ASN A 22 17.688 -31.852 -11.895 1.00 54.33 O ATOM 333 ND2 ASN A 22 18.207 -31.032 -9.870 1.00 35.24 N ATOM 0 H ASN A 22 13.747 -29.775 -11.236 1.00 64.32 H new ATOM 0 HA ASN A 22 15.369 -31.596 -12.570 1.00 42.42 H new ATOM 0 HB2 ASN A 22 15.922 -29.673 -10.910 1.00 1.53 H new ATOM 0 HB3 ASN A 22 15.653 -30.852 -9.642 1.00 1.53 H new ATOM 0 HD21 ASN A 22 19.172 -31.357 -9.936 1.00 35.24 H new ATOM 0 HD22 ASN A 22 17.892 -30.534 -9.037 1.00 35.24 H new ATOM 340 N MET A 23 13.568 -32.929 -10.212 1.00 25.05 N ATOM 341 CA MET A 23 13.169 -34.190 -9.598 1.00 72.20 C ATOM 342 C MET A 23 12.342 -35.029 -10.568 1.00 1.41 C ATOM 343 O MET A 23 12.435 -36.256 -10.578 1.00 64.12 O ATOM 344 CB MET A 23 12.368 -33.929 -8.321 1.00 22.53 C ATOM 345 CG MET A 23 12.894 -32.762 -7.501 1.00 63.24 C ATOM 346 SD MET A 23 12.213 -32.722 -5.832 1.00 63.23 S ATOM 347 CE MET A 23 13.703 -32.495 -4.864 1.00 61.42 C ATOM 0 H MET A 23 12.965 -32.139 -9.984 1.00 25.05 H new ATOM 0 HA MET A 23 14.073 -34.744 -9.345 1.00 72.20 H new ATOM 0 HB2 MET A 23 11.329 -33.736 -8.587 1.00 22.53 H new ATOM 0 HB3 MET A 23 12.378 -34.829 -7.706 1.00 22.53 H new ATOM 0 HG2 MET A 23 13.981 -32.824 -7.444 1.00 63.24 H new ATOM 0 HG3 MET A 23 12.654 -31.828 -8.010 1.00 63.24 H new ATOM 0 HE1 MET A 23 13.446 -32.451 -3.806 1.00 61.42 H new ATOM 0 HE2 MET A 23 14.381 -33.331 -5.038 1.00 61.42 H new ATOM 0 HE3 MET A 23 14.190 -31.565 -5.158 1.00 61.42 H new ATOM 357 N VAL A 24 11.533 -34.358 -11.382 1.00 31.02 N ATOM 358 CA VAL A 24 10.690 -35.042 -12.356 1.00 4.51 C ATOM 359 C VAL A 24 11.533 -35.763 -13.402 1.00 4.44 C ATOM 360 O VAL A 24 11.428 -36.977 -13.569 1.00 43.24 O ATOM 361 CB VAL A 24 9.742 -34.057 -13.066 1.00 62.54 C ATOM 362 CG1 VAL A 24 8.699 -34.812 -13.877 1.00 45.33 C ATOM 363 CG2 VAL A 24 9.078 -33.134 -12.056 1.00 23.31 C ATOM 0 H VAL A 24 11.444 -33.342 -11.386 1.00 31.02 H new ATOM 0 HA VAL A 24 10.097 -35.773 -11.805 1.00 4.51 H new ATOM 0 HB VAL A 24 10.328 -33.445 -13.751 1.00 62.54 H new ATOM 0 HG11 VAL A 24 8.038 -34.101 -14.372 1.00 45.33 H new ATOM 0 HG12 VAL A 24 9.196 -35.427 -14.627 1.00 45.33 H new ATOM 0 HG13 VAL A 24 8.115 -35.450 -13.214 1.00 45.33 H new ATOM 0 HG21 VAL A 24 8.412 -32.445 -12.576 1.00 23.31 H new ATOM 0 HG22 VAL A 24 8.504 -33.727 -11.344 1.00 23.31 H new ATOM 0 HG23 VAL A 24 9.842 -32.568 -11.523 1.00 23.31 H new ATOM 373 N GLY A 25 12.371 -35.005 -14.103 1.00 64.43 N ATOM 374 CA GLY A 25 13.221 -35.589 -15.124 1.00 64.53 C ATOM 375 C GLY A 25 14.387 -36.361 -14.537 1.00 52.50 C ATOM 376 O GLY A 25 15.166 -36.974 -15.267 1.00 5.45 O ATOM 0 H GLY A 25 12.476 -33.998 -13.982 1.00 64.43 H new ATOM 0 HA2 GLY A 25 12.627 -36.255 -15.750 1.00 64.53 H new ATOM 0 HA3 GLY A 25 13.602 -34.799 -15.771 1.00 64.53 H new ATOM 380 N LYS A 26 14.508 -36.329 -13.214 1.00 62.53 N ATOM 381 CA LYS A 26 15.587 -37.030 -12.528 1.00 21.12 C ATOM 382 C LYS A 26 15.660 -38.487 -12.974 1.00 45.22 C ATOM 383 O LYS A 26 14.634 -39.135 -13.181 1.00 11.34 O ATOM 384 CB LYS A 26 15.386 -36.960 -11.012 1.00 53.44 C ATOM 385 CG LYS A 26 16.676 -37.088 -10.221 1.00 35.13 C ATOM 386 CD LYS A 26 17.263 -35.727 -9.887 1.00 61.12 C ATOM 387 CE LYS A 26 18.077 -35.172 -11.046 1.00 61.31 C ATOM 388 NZ LYS A 26 19.056 -34.145 -10.595 1.00 0.13 N ATOM 0 H LYS A 26 13.872 -35.825 -12.596 1.00 62.53 H new ATOM 0 HA LYS A 26 16.526 -36.541 -12.787 1.00 21.12 H new ATOM 0 HB2 LYS A 26 14.908 -36.013 -10.761 1.00 53.44 H new ATOM 0 HB3 LYS A 26 14.703 -37.753 -10.708 1.00 53.44 H new ATOM 0 HG2 LYS A 26 16.486 -37.639 -9.300 1.00 35.13 H new ATOM 0 HG3 LYS A 26 17.400 -37.666 -10.795 1.00 35.13 H new ATOM 0 HD2 LYS A 26 16.459 -35.033 -9.640 1.00 61.12 H new ATOM 0 HD3 LYS A 26 17.895 -35.809 -9.003 1.00 61.12 H new ATOM 0 HE2 LYS A 26 18.607 -35.986 -11.540 1.00 61.31 H new ATOM 0 HE3 LYS A 26 17.405 -34.734 -11.784 1.00 61.31 H new ATOM 0 HZ1 LYS A 26 18.909 -33.266 -11.132 1.00 0.13 H new ATOM 0 HZ2 LYS A 26 18.921 -33.958 -9.581 1.00 0.13 H new ATOM 0 HZ3 LYS A 26 20.023 -34.492 -10.757 1.00 0.13 H new ATOM 402 N ILE A 27 16.879 -38.996 -13.120 1.00 3.51 N ATOM 403 CA ILE A 27 17.085 -40.376 -13.539 1.00 61.31 C ATOM 404 C ILE A 27 17.565 -41.238 -12.376 1.00 71.11 C ATOM 405 O ILE A 27 18.322 -40.780 -11.521 1.00 3.23 O ATOM 406 CB ILE A 27 18.106 -40.470 -14.688 1.00 4.50 C ATOM 407 CG1 ILE A 27 17.656 -39.610 -15.871 1.00 72.21 C ATOM 408 CG2 ILE A 27 18.290 -41.917 -15.117 1.00 72.55 C ATOM 409 CD1 ILE A 27 18.744 -39.373 -16.894 1.00 41.45 C ATOM 0 H ILE A 27 17.739 -38.473 -12.954 1.00 3.51 H new ATOM 0 HA ILE A 27 16.121 -40.746 -13.889 1.00 61.31 H new ATOM 0 HB ILE A 27 19.065 -40.093 -14.333 1.00 4.50 H new ATOM 0 HG12 ILE A 27 16.809 -40.092 -16.359 1.00 72.21 H new ATOM 0 HG13 ILE A 27 17.304 -38.648 -15.498 1.00 72.21 H new ATOM 0 HG21 ILE A 27 19.015 -41.966 -15.930 1.00 72.55 H new ATOM 0 HG22 ILE A 27 18.652 -42.504 -14.273 1.00 72.55 H new ATOM 0 HG23 ILE A 27 17.336 -42.320 -15.457 1.00 72.55 H new ATOM 0 HD11 ILE A 27 18.354 -38.756 -17.704 1.00 41.45 H new ATOM 0 HD12 ILE A 27 19.583 -38.863 -16.421 1.00 41.45 H new ATOM 0 HD13 ILE A 27 19.080 -40.329 -17.296 1.00 41.45 H new ATOM 421 N VAL A 28 17.120 -42.491 -12.352 1.00 11.52 N ATOM 422 CA VAL A 28 17.506 -43.419 -11.296 1.00 10.43 C ATOM 423 C VAL A 28 17.447 -44.862 -11.784 1.00 3.33 C ATOM 424 O VAL A 28 16.732 -45.195 -12.729 1.00 32.14 O ATOM 425 CB VAL A 28 16.600 -43.269 -10.059 1.00 24.33 C ATOM 426 CG1 VAL A 28 16.997 -42.043 -9.251 1.00 42.12 C ATOM 427 CG2 VAL A 28 15.139 -43.194 -10.475 1.00 21.03 C ATOM 0 H VAL A 28 16.492 -42.886 -13.052 1.00 11.52 H new ATOM 0 HA VAL A 28 18.531 -43.174 -11.018 1.00 10.43 H new ATOM 0 HB VAL A 28 16.729 -44.148 -9.427 1.00 24.33 H new ATOM 0 HG11 VAL A 28 16.346 -41.954 -8.381 1.00 42.12 H new ATOM 0 HG12 VAL A 28 18.031 -42.144 -8.921 1.00 42.12 H new ATOM 0 HG13 VAL A 28 16.899 -41.152 -9.871 1.00 42.12 H new ATOM 0 HG21 VAL A 28 14.513 -43.088 -9.589 1.00 21.03 H new ATOM 0 HG22 VAL A 28 14.990 -42.335 -11.129 1.00 21.03 H new ATOM 0 HG23 VAL A 28 14.865 -44.105 -11.006 1.00 21.03 H new ATOM 437 N PRO A 29 18.217 -45.741 -11.125 1.00 42.22 N ATOM 438 CA PRO A 29 18.270 -47.164 -11.474 1.00 13.33 C ATOM 439 C PRO A 29 16.975 -47.893 -11.131 1.00 52.55 C ATOM 440 O PRO A 29 16.588 -48.844 -11.811 1.00 32.42 O ATOM 441 CB PRO A 29 19.424 -47.695 -10.621 1.00 21.44 C ATOM 442 CG PRO A 29 19.500 -46.762 -9.462 1.00 30.11 C ATOM 443 CD PRO A 29 19.095 -45.413 -9.989 1.00 62.43 C ATOM 0 HA PRO A 29 18.407 -47.317 -12.544 1.00 13.33 H new ATOM 0 HB2 PRO A 29 19.236 -48.718 -10.294 1.00 21.44 H new ATOM 0 HB3 PRO A 29 20.358 -47.706 -11.182 1.00 21.44 H new ATOM 0 HG2 PRO A 29 18.836 -47.082 -8.659 1.00 30.11 H new ATOM 0 HG3 PRO A 29 20.509 -46.733 -9.050 1.00 30.11 H new ATOM 0 HD2 PRO A 29 18.572 -44.827 -9.233 1.00 62.43 H new ATOM 0 HD3 PRO A 29 19.959 -44.829 -10.305 1.00 62.43 H new ATOM 451 N LEU A 30 16.308 -47.440 -10.075 1.00 63.31 N ATOM 452 CA LEU A 30 15.055 -48.049 -9.643 1.00 23.43 C ATOM 453 C LEU A 30 13.872 -47.137 -9.949 1.00 0.23 C ATOM 454 O LEU A 30 14.019 -45.928 -10.129 1.00 4.20 O ATOM 455 CB LEU A 30 15.104 -48.355 -8.145 1.00 21.13 C ATOM 456 CG LEU A 30 15.788 -49.664 -7.749 1.00 31.23 C ATOM 457 CD1 LEU A 30 15.916 -49.764 -6.237 1.00 13.44 C ATOM 458 CD2 LEU A 30 15.019 -50.856 -8.300 1.00 54.33 C ATOM 0 H LEU A 30 16.614 -46.653 -9.502 1.00 63.31 H new ATOM 0 HA LEU A 30 14.923 -48.980 -10.194 1.00 23.43 H new ATOM 0 HB2 LEU A 30 15.617 -47.534 -7.644 1.00 21.13 H new ATOM 0 HB3 LEU A 30 14.083 -48.373 -7.765 1.00 21.13 H new ATOM 0 HG LEU A 30 16.789 -49.672 -8.179 1.00 31.23 H new ATOM 0 HD11 LEU A 30 16.405 -50.702 -5.975 1.00 13.44 H new ATOM 0 HD12 LEU A 30 16.510 -48.929 -5.866 1.00 13.44 H new ATOM 0 HD13 LEU A 30 14.925 -49.733 -5.785 1.00 13.44 H new ATOM 0 HD21 LEU A 30 15.520 -51.779 -8.008 1.00 54.33 H new ATOM 0 HD22 LEU A 30 14.005 -50.852 -7.900 1.00 54.33 H new ATOM 0 HD23 LEU A 30 14.980 -50.793 -9.387 1.00 54.33 H new ATOM 470 N PRO A 31 12.669 -47.727 -10.007 1.00 51.31 N ATOM 471 CA PRO A 31 11.436 -46.985 -10.288 1.00 42.22 C ATOM 472 C PRO A 31 11.038 -46.065 -9.139 1.00 23.11 C ATOM 473 O PRO A 31 10.661 -46.528 -8.062 1.00 43.11 O ATOM 474 CB PRO A 31 10.393 -48.089 -10.475 1.00 54.15 C ATOM 475 CG PRO A 31 10.921 -49.245 -9.699 1.00 62.43 C ATOM 476 CD PRO A 31 12.419 -49.163 -9.803 1.00 21.55 C ATOM 0 HA PRO A 31 11.543 -46.330 -11.152 1.00 42.22 H new ATOM 0 HB2 PRO A 31 9.416 -47.777 -10.105 1.00 54.15 H new ATOM 0 HB3 PRO A 31 10.269 -48.342 -11.528 1.00 54.15 H new ATOM 0 HG2 PRO A 31 10.599 -49.197 -8.659 1.00 62.43 H new ATOM 0 HG3 PRO A 31 10.553 -50.188 -10.104 1.00 62.43 H new ATOM 0 HD2 PRO A 31 12.905 -49.531 -8.900 1.00 21.55 H new ATOM 0 HD3 PRO A 31 12.797 -49.759 -10.634 1.00 21.55 H new ATOM 484 N PHE A 32 11.124 -44.760 -9.375 1.00 21.14 N ATOM 485 CA PHE A 32 10.773 -43.775 -8.358 1.00 42.13 C ATOM 486 C PHE A 32 9.704 -42.817 -8.876 1.00 5.42 C ATOM 487 O PHE A 32 8.810 -42.409 -8.136 1.00 41.22 O ATOM 488 CB PHE A 32 12.014 -42.989 -7.929 1.00 61.33 C ATOM 489 CG PHE A 32 11.719 -41.890 -6.949 1.00 34.40 C ATOM 490 CD1 PHE A 32 10.986 -42.146 -5.801 1.00 62.51 C ATOM 491 CD2 PHE A 32 12.173 -40.601 -7.176 1.00 31.14 C ATOM 492 CE1 PHE A 32 10.713 -41.138 -4.897 1.00 12.44 C ATOM 493 CE2 PHE A 32 11.903 -39.588 -6.275 1.00 30.53 C ATOM 494 CZ PHE A 32 11.171 -39.857 -5.134 1.00 41.34 C ATOM 0 H PHE A 32 11.433 -44.360 -10.261 1.00 21.14 H new ATOM 0 HA PHE A 32 10.372 -44.307 -7.495 1.00 42.13 H new ATOM 0 HB2 PHE A 32 12.734 -43.677 -7.486 1.00 61.33 H new ATOM 0 HB3 PHE A 32 12.486 -42.560 -8.813 1.00 61.33 H new ATOM 0 HD1 PHE A 32 10.624 -43.146 -5.611 1.00 62.51 H new ATOM 0 HD2 PHE A 32 12.744 -40.385 -8.067 1.00 31.14 H new ATOM 0 HE1 PHE A 32 10.142 -41.352 -4.006 1.00 12.44 H new ATOM 0 HE2 PHE A 32 12.264 -38.587 -6.462 1.00 30.53 H new ATOM 0 HZ PHE A 32 10.958 -39.067 -4.429 1.00 41.34 H new ATOM 504 N GLY A 33 9.805 -42.461 -10.153 1.00 44.30 N ATOM 505 CA GLY A 33 8.842 -41.553 -10.748 1.00 45.24 C ATOM 506 C GLY A 33 9.149 -41.254 -12.202 1.00 64.05 C ATOM 507 O GLY A 33 9.731 -42.082 -12.904 1.00 11.23 O ATOM 0 H GLY A 33 10.536 -42.785 -10.786 1.00 44.30 H new ATOM 0 HA2 GLY A 33 7.844 -41.985 -10.672 1.00 45.24 H new ATOM 0 HA3 GLY A 33 8.829 -40.621 -10.183 1.00 45.24 H new TER 511 GLY A 33