USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 355 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -171:sc= 0 (180deg=-0.118) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.129 (180deg=-0.439) USER MOD Single : A 9 SER OG : rot 77:sc= 0.0403 USER MOD Single : A 12 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.58) USER MOD Single : A 17 THR OG1 : rot -36:sc= 1.16 USER MOD Single : A 18 ASN : amide:sc= -0.387 K(o=-0.39,f=-2.5!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= -0.0187 (180deg=-0.0187) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc=-0.00105 (180deg=-0.0674) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.496 -25.559 6.320 1.00 74.21 N ATOM 2 CA LYS A 1 -8.270 -26.234 7.356 1.00 50.32 C ATOM 3 C LYS A 1 -7.952 -25.660 8.733 1.00 62.20 C ATOM 4 O LYS A 1 -8.844 -25.478 9.562 1.00 61.31 O ATOM 5 CB LYS A 1 -7.983 -27.736 7.338 1.00 43.14 C ATOM 6 CG LYS A 1 -8.593 -28.486 8.510 1.00 1.13 C ATOM 7 CD LYS A 1 -9.327 -29.735 8.052 1.00 53.53 C ATOM 8 CE LYS A 1 -8.358 -30.837 7.656 1.00 73.45 C ATOM 9 NZ LYS A 1 -8.594 -32.089 8.429 1.00 54.52 N ATOM 0 H1 LYS A 1 -7.836 -25.856 5.383 1.00 74.21 H new ATOM 0 H2 LYS A 1 -7.608 -24.530 6.418 1.00 74.21 H new ATOM 0 H3 LYS A 1 -6.491 -25.809 6.419 1.00 74.21 H new ATOM 0 HA LYS A 1 -9.328 -26.071 7.150 1.00 50.32 H new ATOM 0 HB2 LYS A 1 -8.364 -28.159 6.409 1.00 43.14 H new ATOM 0 HB3 LYS A 1 -6.904 -27.891 7.340 1.00 43.14 H new ATOM 0 HG2 LYS A 1 -7.808 -28.762 9.215 1.00 1.13 H new ATOM 0 HG3 LYS A 1 -9.284 -27.832 9.042 1.00 1.13 H new ATOM 0 HD2 LYS A 1 -9.977 -30.090 8.852 1.00 53.53 H new ATOM 0 HD3 LYS A 1 -9.968 -29.491 7.205 1.00 53.53 H new ATOM 0 HE2 LYS A 1 -8.459 -31.044 6.591 1.00 73.45 H new ATOM 0 HE3 LYS A 1 -7.335 -30.497 7.819 1.00 73.45 H new ATOM 0 HZ1 LYS A 1 -7.913 -32.816 8.129 1.00 54.52 H new ATOM 0 HZ2 LYS A 1 -8.473 -31.898 9.444 1.00 54.52 H new ATOM 0 HZ3 LYS A 1 -9.561 -32.428 8.254 1.00 54.52 H new ATOM 23 N LYS A 2 -6.676 -25.376 8.969 1.00 12.24 N ATOM 24 CA LYS A 2 -6.240 -24.820 10.245 1.00 31.44 C ATOM 25 C LYS A 2 -5.051 -23.884 10.053 1.00 14.11 C ATOM 26 O LYS A 2 -4.992 -22.809 10.650 1.00 62.13 O ATOM 27 CB LYS A 2 -5.865 -25.945 11.214 1.00 54.12 C ATOM 28 CG LYS A 2 -6.281 -25.676 12.649 1.00 1.22 C ATOM 29 CD LYS A 2 -7.723 -26.085 12.898 1.00 75.42 C ATOM 30 CE LYS A 2 -8.089 -25.973 14.370 1.00 44.34 C ATOM 31 NZ LYS A 2 -9.452 -26.505 14.645 1.00 24.34 N ATOM 0 H LYS A 2 -5.925 -25.521 8.294 1.00 12.24 H new ATOM 0 HA LYS A 2 -7.067 -24.247 10.665 1.00 31.44 H new ATOM 0 HB2 LYS A 2 -6.329 -26.872 10.878 1.00 54.12 H new ATOM 0 HB3 LYS A 2 -4.786 -26.098 11.180 1.00 54.12 H new ATOM 0 HG2 LYS A 2 -5.625 -26.222 13.327 1.00 1.22 H new ATOM 0 HG3 LYS A 2 -6.159 -24.616 12.871 1.00 1.22 H new ATOM 0 HD2 LYS A 2 -8.388 -25.454 12.308 1.00 75.42 H new ATOM 0 HD3 LYS A 2 -7.874 -27.111 12.562 1.00 75.42 H new ATOM 0 HE2 LYS A 2 -7.359 -26.518 14.968 1.00 44.34 H new ATOM 0 HE3 LYS A 2 -8.038 -24.929 14.678 1.00 44.34 H new ATOM 0 HZ1 LYS A 2 -9.664 -26.411 15.659 1.00 24.34 H new ATOM 0 HZ2 LYS A 2 -10.152 -25.968 14.094 1.00 24.34 H new ATOM 0 HZ3 LYS A 2 -9.494 -27.508 14.375 1.00 24.34 H new ATOM 45 N LYS A 3 -4.106 -24.299 9.215 1.00 13.53 N ATOM 46 CA LYS A 3 -2.920 -23.497 8.942 1.00 1.12 C ATOM 47 C LYS A 3 -3.117 -22.643 7.692 1.00 24.54 C ATOM 48 O LYS A 3 -3.138 -21.415 7.764 1.00 72.43 O ATOM 49 CB LYS A 3 -1.697 -24.401 8.769 1.00 40.45 C ATOM 50 CG LYS A 3 -1.390 -25.250 9.990 1.00 54.52 C ATOM 51 CD LYS A 3 -0.787 -24.418 11.110 1.00 42.32 C ATOM 52 CE LYS A 3 0.732 -24.504 11.111 1.00 31.13 C ATOM 53 NZ LYS A 3 1.362 -23.169 11.308 1.00 23.21 N ATOM 0 H LYS A 3 -4.139 -25.187 8.713 1.00 13.53 H new ATOM 0 HA LYS A 3 -2.756 -22.834 9.791 1.00 1.12 H new ATOM 0 HB2 LYS A 3 -1.858 -25.056 7.913 1.00 40.45 H new ATOM 0 HB3 LYS A 3 -0.829 -23.783 8.539 1.00 40.45 H new ATOM 0 HG2 LYS A 3 -2.305 -25.727 10.342 1.00 54.52 H new ATOM 0 HG3 LYS A 3 -0.700 -26.048 9.716 1.00 54.52 H new ATOM 0 HD2 LYS A 3 -1.094 -23.378 10.998 1.00 42.32 H new ATOM 0 HD3 LYS A 3 -1.173 -24.763 12.069 1.00 42.32 H new ATOM 0 HE2 LYS A 3 1.057 -25.180 11.902 1.00 31.13 H new ATOM 0 HE3 LYS A 3 1.072 -24.931 10.168 1.00 31.13 H new ATOM 0 HZ1 LYS A 3 2.397 -23.269 11.303 1.00 23.21 H new ATOM 0 HZ2 LYS A 3 1.072 -22.531 10.539 1.00 23.21 H new ATOM 0 HZ3 LYS A 3 1.057 -22.773 12.220 1.00 23.21 H new ATOM 67 N LYS A 4 -3.261 -23.304 6.548 1.00 4.31 N ATOM 68 CA LYS A 4 -3.459 -22.607 5.283 1.00 22.11 C ATOM 69 C LYS A 4 -4.846 -21.974 5.221 1.00 64.23 C ATOM 70 O LYS A 4 -5.857 -22.675 5.197 1.00 71.42 O ATOM 71 CB LYS A 4 -3.275 -23.573 4.110 1.00 4.33 C ATOM 72 CG LYS A 4 -1.988 -23.350 3.335 1.00 63.45 C ATOM 73 CD LYS A 4 -2.239 -23.315 1.837 1.00 61.41 C ATOM 74 CE LYS A 4 -2.130 -24.702 1.221 1.00 52.31 C ATOM 75 NZ LYS A 4 -3.305 -25.022 0.365 1.00 34.35 N ATOM 0 H LYS A 4 -3.244 -24.321 6.471 1.00 4.31 H new ATOM 0 HA LYS A 4 -2.714 -21.815 5.214 1.00 22.11 H new ATOM 0 HB2 LYS A 4 -3.290 -24.596 4.487 1.00 4.33 H new ATOM 0 HB3 LYS A 4 -4.121 -23.471 3.430 1.00 4.33 H new ATOM 0 HG2 LYS A 4 -1.530 -22.412 3.650 1.00 63.45 H new ATOM 0 HG3 LYS A 4 -1.279 -24.145 3.568 1.00 63.45 H new ATOM 0 HD2 LYS A 4 -3.231 -22.906 1.643 1.00 61.41 H new ATOM 0 HD3 LYS A 4 -1.520 -22.647 1.362 1.00 61.41 H new ATOM 0 HE2 LYS A 4 -1.219 -24.764 0.626 1.00 52.31 H new ATOM 0 HE3 LYS A 4 -2.045 -25.446 2.013 1.00 52.31 H new ATOM 0 HZ1 LYS A 4 -3.193 -25.975 -0.036 1.00 34.35 H new ATOM 0 HZ2 LYS A 4 -4.172 -24.987 0.938 1.00 34.35 H new ATOM 0 HZ3 LYS A 4 -3.372 -24.327 -0.406 1.00 34.35 H new ATOM 89 N ASP A 5 -4.885 -20.647 5.193 1.00 13.44 N ATOM 90 CA ASP A 5 -6.148 -19.921 5.131 1.00 11.42 C ATOM 91 C ASP A 5 -6.015 -18.672 4.264 1.00 73.42 C ATOM 92 O ASP A 5 -5.125 -17.848 4.475 1.00 55.12 O ATOM 93 CB ASP A 5 -6.607 -19.533 6.538 1.00 13.51 C ATOM 94 CG ASP A 5 -7.524 -20.570 7.155 1.00 62.40 C ATOM 95 OD1 ASP A 5 -8.330 -21.168 6.411 1.00 52.35 O ATOM 96 OD2 ASP A 5 -7.434 -20.787 8.381 1.00 43.31 O ATOM 0 H ASP A 5 -4.057 -20.052 5.212 1.00 13.44 H new ATOM 0 HA ASP A 5 -6.894 -20.576 4.681 1.00 11.42 H new ATOM 0 HB2 ASP A 5 -5.734 -19.398 7.177 1.00 13.51 H new ATOM 0 HB3 ASP A 5 -7.124 -18.574 6.497 1.00 13.51 H new ATOM 101 N LYS A 6 -6.905 -18.541 3.286 1.00 43.53 N ATOM 102 CA LYS A 6 -6.888 -17.394 2.385 1.00 13.01 C ATOM 103 C LYS A 6 -7.041 -16.090 3.162 1.00 2.11 C ATOM 104 O LYS A 6 -6.431 -15.077 2.819 1.00 74.14 O ATOM 105 CB LYS A 6 -8.008 -17.517 1.350 1.00 65.44 C ATOM 106 CG LYS A 6 -9.370 -17.802 1.958 1.00 73.13 C ATOM 107 CD LYS A 6 -10.351 -16.673 1.685 1.00 65.01 C ATOM 108 CE LYS A 6 -10.600 -16.500 0.194 1.00 12.04 C ATOM 109 NZ LYS A 6 -10.973 -17.784 -0.459 1.00 62.02 N ATOM 0 H LYS A 6 -7.647 -19.215 3.097 1.00 43.53 H new ATOM 0 HA LYS A 6 -5.926 -17.380 1.872 1.00 13.01 H new ATOM 0 HB2 LYS A 6 -8.063 -16.593 0.775 1.00 65.44 H new ATOM 0 HB3 LYS A 6 -7.758 -18.314 0.650 1.00 65.44 H new ATOM 0 HG2 LYS A 6 -9.763 -18.733 1.551 1.00 73.13 H new ATOM 0 HG3 LYS A 6 -9.267 -17.943 3.034 1.00 73.13 H new ATOM 0 HD2 LYS A 6 -11.294 -16.879 2.191 1.00 65.01 H new ATOM 0 HD3 LYS A 6 -9.962 -15.743 2.100 1.00 65.01 H new ATOM 0 HE2 LYS A 6 -11.395 -15.770 0.041 1.00 12.04 H new ATOM 0 HE3 LYS A 6 -9.704 -16.099 -0.280 1.00 12.04 H new ATOM 0 HZ1 LYS A 6 -11.377 -17.592 -1.398 1.00 62.02 H new ATOM 0 HZ2 LYS A 6 -10.127 -18.380 -0.561 1.00 62.02 H new ATOM 0 HZ3 LYS A 6 -11.677 -18.279 0.125 1.00 62.02 H new ATOM 123 N TRP A 7 -7.856 -16.124 4.210 1.00 0.40 N ATOM 124 CA TRP A 7 -8.087 -14.944 5.037 1.00 41.54 C ATOM 125 C TRP A 7 -6.886 -14.663 5.933 1.00 64.53 C ATOM 126 O TRP A 7 -6.463 -13.517 6.079 1.00 54.13 O ATOM 127 CB TRP A 7 -9.343 -15.131 5.889 1.00 52.22 C ATOM 128 CG TRP A 7 -10.594 -15.279 5.079 1.00 53.44 C ATOM 129 CD1 TRP A 7 -11.523 -16.276 5.178 1.00 51.40 C ATOM 130 CD2 TRP A 7 -11.054 -14.403 4.043 1.00 10.41 C ATOM 131 NE1 TRP A 7 -12.531 -16.072 4.267 1.00 73.11 N ATOM 132 CE2 TRP A 7 -12.267 -14.929 3.559 1.00 32.42 C ATOM 133 CE3 TRP A 7 -10.560 -13.223 3.479 1.00 23.31 C ATOM 134 CZ2 TRP A 7 -12.990 -14.317 2.539 1.00 63.44 C ATOM 135 CZ3 TRP A 7 -11.277 -12.617 2.467 1.00 51.34 C ATOM 136 CH2 TRP A 7 -12.482 -13.164 2.005 1.00 52.42 C ATOM 0 H TRP A 7 -8.368 -16.955 4.508 1.00 0.40 H new ATOM 0 HA TRP A 7 -8.230 -14.090 4.375 1.00 41.54 H new ATOM 0 HB2 TRP A 7 -9.219 -16.013 6.517 1.00 52.22 H new ATOM 0 HB3 TRP A 7 -9.450 -14.277 6.557 1.00 52.22 H new ATOM 0 HD1 TRP A 7 -11.472 -17.103 5.871 1.00 51.40 H new ATOM 0 HE1 TRP A 7 -13.344 -16.674 4.139 1.00 73.11 H new ATOM 0 HE3 TRP A 7 -9.633 -12.793 3.829 1.00 23.31 H new ATOM 0 HZ2 TRP A 7 -13.919 -14.737 2.182 1.00 63.44 H new ATOM 0 HZ3 TRP A 7 -10.903 -11.706 2.024 1.00 51.34 H new ATOM 0 HH2 TRP A 7 -13.020 -12.666 1.212 1.00 52.42 H new ATOM 147 N ALA A 8 -6.340 -15.717 6.530 1.00 33.43 N ATOM 148 CA ALA A 8 -5.186 -15.584 7.411 1.00 14.40 C ATOM 149 C ALA A 8 -4.026 -14.901 6.695 1.00 50.24 C ATOM 150 O ALA A 8 -3.352 -14.042 7.264 1.00 71.32 O ATOM 151 CB ALA A 8 -4.759 -16.948 7.931 1.00 4.43 C ATOM 0 H ALA A 8 -6.678 -16.673 6.420 1.00 33.43 H new ATOM 0 HA ALA A 8 -5.475 -14.960 8.257 1.00 14.40 H new ATOM 0 HB1 ALA A 8 -3.896 -16.833 8.587 1.00 4.43 H new ATOM 0 HB2 ALA A 8 -5.581 -17.399 8.487 1.00 4.43 H new ATOM 0 HB3 ALA A 8 -4.493 -17.591 7.092 1.00 4.43 H new ATOM 157 N SER A 9 -3.798 -15.290 5.444 1.00 25.25 N ATOM 158 CA SER A 9 -2.714 -14.718 4.653 1.00 51.14 C ATOM 159 C SER A 9 -3.018 -13.269 4.283 1.00 24.11 C ATOM 160 O SER A 9 -2.108 -12.469 4.065 1.00 12.43 O ATOM 161 CB SER A 9 -2.492 -15.544 3.384 1.00 72.41 C ATOM 162 OG SER A 9 -2.138 -16.879 3.699 1.00 4.12 O ATOM 0 H SER A 9 -4.348 -15.998 4.957 1.00 25.25 H new ATOM 0 HA SER A 9 -1.806 -14.738 5.256 1.00 51.14 H new ATOM 0 HB2 SER A 9 -3.399 -15.538 2.779 1.00 72.41 H new ATOM 0 HB3 SER A 9 -1.705 -15.088 2.783 1.00 72.41 H new ATOM 0 HG SER A 9 -2.938 -17.373 3.975 1.00 4.12 H new ATOM 168 N LEU A 10 -4.302 -12.940 4.215 1.00 73.10 N ATOM 169 CA LEU A 10 -4.728 -11.587 3.873 1.00 42.33 C ATOM 170 C LEU A 10 -4.158 -10.571 4.857 1.00 72.32 C ATOM 171 O LEU A 10 -3.920 -9.416 4.503 1.00 54.51 O ATOM 172 CB LEU A 10 -6.255 -11.500 3.859 1.00 54.13 C ATOM 173 CG LEU A 10 -6.854 -10.320 3.093 1.00 3.54 C ATOM 174 CD1 LEU A 10 -8.310 -10.589 2.749 1.00 35.34 C ATOM 175 CD2 LEU A 10 -6.723 -9.038 3.902 1.00 40.40 C ATOM 0 H LEU A 10 -5.067 -13.591 4.392 1.00 73.10 H new ATOM 0 HA LEU A 10 -4.348 -11.354 2.878 1.00 42.33 H new ATOM 0 HB2 LEU A 10 -6.647 -12.422 3.430 1.00 54.13 H new ATOM 0 HB3 LEU A 10 -6.606 -11.453 4.890 1.00 54.13 H new ATOM 0 HG LEU A 10 -6.300 -10.197 2.162 1.00 3.54 H new ATOM 0 HD11 LEU A 10 -8.718 -9.738 2.204 1.00 35.34 H new ATOM 0 HD12 LEU A 10 -8.378 -11.483 2.129 1.00 35.34 H new ATOM 0 HD13 LEU A 10 -8.879 -10.739 3.667 1.00 35.34 H new ATOM 0 HD21 LEU A 10 -7.154 -8.209 3.342 1.00 40.40 H new ATOM 0 HD22 LEU A 10 -7.251 -9.150 4.849 1.00 40.40 H new ATOM 0 HD23 LEU A 10 -5.670 -8.836 4.096 1.00 40.40 H new ATOM 187 N TRP A 11 -3.938 -11.009 6.090 1.00 35.54 N ATOM 188 CA TRP A 11 -3.394 -10.138 7.126 1.00 61.52 C ATOM 189 C TRP A 11 -1.906 -9.893 6.903 1.00 23.33 C ATOM 190 O TRP A 11 -1.389 -8.822 7.218 1.00 33.31 O ATOM 191 CB TRP A 11 -3.621 -10.750 8.508 1.00 32.33 C ATOM 192 CG TRP A 11 -4.952 -11.426 8.648 1.00 54.15 C ATOM 193 CD1 TRP A 11 -5.213 -12.597 9.299 1.00 13.44 C ATOM 194 CD2 TRP A 11 -6.204 -10.970 8.122 1.00 44.01 C ATOM 195 NE1 TRP A 11 -6.551 -12.897 9.210 1.00 12.12 N ATOM 196 CE2 TRP A 11 -7.180 -11.914 8.493 1.00 51.41 C ATOM 197 CE3 TRP A 11 -6.593 -9.855 7.374 1.00 12.52 C ATOM 198 CZ2 TRP A 11 -8.520 -11.775 8.141 1.00 70.40 C ATOM 199 CZ3 TRP A 11 -7.923 -9.719 7.025 1.00 35.42 C ATOM 200 CH2 TRP A 11 -8.874 -10.675 7.410 1.00 61.25 C ATOM 0 H TRP A 11 -4.128 -11.963 6.398 1.00 35.54 H new ATOM 0 HA TRP A 11 -3.914 -9.181 7.071 1.00 61.52 H new ATOM 0 HB2 TRP A 11 -2.831 -11.473 8.711 1.00 32.33 H new ATOM 0 HB3 TRP A 11 -3.538 -9.967 9.262 1.00 32.33 H new ATOM 0 HD1 TRP A 11 -4.476 -13.199 9.809 1.00 13.44 H new ATOM 0 HE1 TRP A 11 -7.002 -13.718 9.613 1.00 12.12 H new ATOM 0 HE3 TRP A 11 -5.867 -9.113 7.074 1.00 12.52 H new ATOM 0 HZ2 TRP A 11 -9.254 -12.510 8.435 1.00 70.40 H new ATOM 0 HZ3 TRP A 11 -8.235 -8.862 6.446 1.00 35.42 H new ATOM 0 HH2 TRP A 11 -9.906 -10.540 7.123 1.00 61.25 H new ATOM 211 N ASN A 12 -1.220 -10.893 6.358 1.00 71.43 N ATOM 212 CA ASN A 12 0.210 -10.786 6.093 1.00 13.10 C ATOM 213 C ASN A 12 0.465 -10.139 4.735 1.00 53.11 C ATOM 214 O ASN A 12 1.527 -9.564 4.500 1.00 51.32 O ATOM 215 CB ASN A 12 0.864 -12.168 6.143 1.00 73.31 C ATOM 216 CG ASN A 12 0.244 -13.064 7.197 1.00 73.21 C ATOM 217 OD1 ASN A 12 -0.058 -14.230 6.939 1.00 44.51 O ATOM 218 ND2 ASN A 12 0.049 -12.522 8.394 1.00 50.01 N ATOM 0 H ASN A 12 -1.632 -11.787 6.091 1.00 71.43 H new ATOM 0 HA ASN A 12 0.651 -10.155 6.865 1.00 13.10 H new ATOM 0 HB2 ASN A 12 0.775 -12.645 5.167 1.00 73.31 H new ATOM 0 HB3 ASN A 12 1.929 -12.056 6.346 1.00 73.31 H new ATOM 0 HD21 ASN A 12 -0.366 -13.076 9.143 1.00 50.01 H new ATOM 0 HD22 ASN A 12 0.314 -11.552 8.564 1.00 50.01 H new ATOM 225 N TRP A 13 -0.517 -10.236 3.846 1.00 31.35 N ATOM 226 CA TRP A 13 -0.400 -9.660 2.512 1.00 41.01 C ATOM 227 C TRP A 13 -0.793 -8.187 2.518 1.00 51.41 C ATOM 228 O TRP A 13 -0.008 -7.323 2.127 1.00 21.22 O ATOM 229 CB TRP A 13 -1.275 -10.430 1.522 1.00 52.33 C ATOM 230 CG TRP A 13 -1.377 -9.771 0.181 1.00 50.33 C ATOM 231 CD1 TRP A 13 -0.346 -9.450 -0.656 1.00 4.14 C ATOM 232 CD2 TRP A 13 -2.576 -9.349 -0.479 1.00 1.31 C ATOM 233 NE1 TRP A 13 -0.831 -8.854 -1.795 1.00 62.33 N ATOM 234 CE2 TRP A 13 -2.196 -8.781 -1.712 1.00 14.25 C ATOM 235 CE3 TRP A 13 -3.933 -9.397 -0.149 1.00 10.43 C ATOM 236 CZ2 TRP A 13 -3.126 -8.267 -2.611 1.00 0.42 C ATOM 237 CZ3 TRP A 13 -4.854 -8.884 -1.043 1.00 44.25 C ATOM 238 CH2 TRP A 13 -4.448 -8.326 -2.262 1.00 3.22 C ATOM 0 H TRP A 13 -1.403 -10.708 4.025 1.00 31.35 H new ATOM 0 HA TRP A 13 0.642 -9.737 2.201 1.00 41.01 H new ATOM 0 HB2 TRP A 13 -0.870 -11.434 1.395 1.00 52.33 H new ATOM 0 HB3 TRP A 13 -2.275 -10.540 1.942 1.00 52.33 H new ATOM 0 HD1 TRP A 13 0.698 -9.637 -0.452 1.00 4.14 H new ATOM 0 HE1 TRP A 13 -0.266 -8.520 -2.576 1.00 62.33 H new ATOM 0 HE3 TRP A 13 -4.256 -9.827 0.787 1.00 10.43 H new ATOM 0 HZ2 TRP A 13 -2.815 -7.837 -3.551 1.00 0.42 H new ATOM 0 HZ3 TRP A 13 -5.905 -8.914 -0.797 1.00 44.25 H new ATOM 0 HH2 TRP A 13 -5.193 -7.935 -2.939 1.00 3.22 H new ATOM 249 N PHE A 14 -2.013 -7.906 2.965 1.00 25.20 N ATOM 250 CA PHE A 14 -2.510 -6.537 3.022 1.00 23.13 C ATOM 251 C PHE A 14 -1.596 -5.661 3.876 1.00 34.40 C ATOM 252 O PHE A 14 -1.528 -4.447 3.686 1.00 32.13 O ATOM 253 CB PHE A 14 -3.932 -6.511 3.585 1.00 13.21 C ATOM 254 CG PHE A 14 -4.501 -5.127 3.713 1.00 3.32 C ATOM 255 CD1 PHE A 14 -5.144 -4.525 2.644 1.00 24.10 C ATOM 256 CD2 PHE A 14 -4.391 -4.427 4.904 1.00 12.22 C ATOM 257 CE1 PHE A 14 -5.668 -3.251 2.759 1.00 34.44 C ATOM 258 CE2 PHE A 14 -4.915 -3.154 5.026 1.00 43.24 C ATOM 259 CZ PHE A 14 -5.553 -2.565 3.952 1.00 1.11 C ATOM 0 H PHE A 14 -2.675 -8.609 3.293 1.00 25.20 H new ATOM 0 HA PHE A 14 -2.521 -6.139 2.007 1.00 23.13 H new ATOM 0 HB2 PHE A 14 -4.581 -7.104 2.940 1.00 13.21 H new ATOM 0 HB3 PHE A 14 -3.935 -6.988 4.565 1.00 13.21 H new ATOM 0 HD1 PHE A 14 -5.237 -5.058 1.709 1.00 24.10 H new ATOM 0 HD2 PHE A 14 -3.890 -4.881 5.746 1.00 12.22 H new ATOM 0 HE1 PHE A 14 -6.166 -2.793 1.917 1.00 34.44 H new ATOM 0 HE2 PHE A 14 -4.826 -2.620 5.961 1.00 43.24 H new ATOM 0 HZ PHE A 14 -5.961 -1.569 4.045 1.00 1.11 H new ATOM 269 N ASP A 15 -0.899 -6.288 4.817 1.00 43.12 N ATOM 270 CA ASP A 15 0.011 -5.568 5.701 1.00 42.12 C ATOM 271 C ASP A 15 1.034 -4.772 4.896 1.00 74.02 C ATOM 272 O ASP A 15 1.442 -3.681 5.298 1.00 31.22 O ATOM 273 CB ASP A 15 0.727 -6.543 6.637 1.00 54.15 C ATOM 274 CG ASP A 15 1.927 -5.916 7.318 1.00 32.44 C ATOM 275 OD1 ASP A 15 1.732 -4.968 8.108 1.00 10.14 O ATOM 276 OD2 ASP A 15 3.060 -6.375 7.065 1.00 51.45 O ATOM 0 H ASP A 15 -0.946 -7.293 4.988 1.00 43.12 H new ATOM 0 HA ASP A 15 -0.578 -4.871 6.298 1.00 42.12 H new ATOM 0 HB2 ASP A 15 0.027 -6.896 7.394 1.00 54.15 H new ATOM 0 HB3 ASP A 15 1.050 -7.416 6.070 1.00 54.15 H new ATOM 281 N ILE A 16 1.445 -5.325 3.760 1.00 42.32 N ATOM 282 CA ILE A 16 2.420 -4.666 2.899 1.00 24.33 C ATOM 283 C ILE A 16 1.768 -3.565 2.071 1.00 14.40 C ATOM 284 O ILE A 16 2.426 -2.611 1.656 1.00 1.13 O ATOM 285 CB ILE A 16 3.103 -5.670 1.952 1.00 50.45 C ATOM 286 CG1 ILE A 16 3.730 -6.814 2.751 1.00 41.41 C ATOM 287 CG2 ILE A 16 4.155 -4.968 1.106 1.00 3.12 C ATOM 288 CD1 ILE A 16 4.189 -7.971 1.891 1.00 51.12 C ATOM 0 H ILE A 16 1.118 -6.227 3.414 1.00 42.32 H new ATOM 0 HA ILE A 16 3.173 -4.226 3.553 1.00 24.33 H new ATOM 0 HB ILE A 16 2.349 -6.089 1.286 1.00 50.45 H new ATOM 0 HG12 ILE A 16 4.581 -6.430 3.313 1.00 41.41 H new ATOM 0 HG13 ILE A 16 3.005 -7.178 3.479 1.00 41.41 H new ATOM 0 HG21 ILE A 16 4.629 -5.690 0.442 1.00 3.12 H new ATOM 0 HG22 ILE A 16 3.682 -4.185 0.513 1.00 3.12 H new ATOM 0 HG23 ILE A 16 4.909 -4.524 1.757 1.00 3.12 H new ATOM 0 HD11 ILE A 16 4.623 -8.745 2.524 1.00 51.12 H new ATOM 0 HD12 ILE A 16 3.337 -8.381 1.348 1.00 51.12 H new ATOM 0 HD13 ILE A 16 4.938 -7.621 1.180 1.00 51.12 H new ATOM 300 N THR A 17 0.466 -3.701 1.836 1.00 44.35 N ATOM 301 CA THR A 17 -0.276 -2.718 1.058 1.00 53.53 C ATOM 302 C THR A 17 -0.751 -1.566 1.936 1.00 32.13 C ATOM 303 O THR A 17 -1.107 -0.499 1.439 1.00 64.01 O ATOM 304 CB THR A 17 -1.496 -3.355 0.363 1.00 4.44 C ATOM 305 OG1 THR A 17 -2.517 -3.635 1.328 1.00 32.22 O ATOM 306 CG2 THR A 17 -1.102 -4.638 -0.352 1.00 64.14 C ATOM 0 H THR A 17 -0.096 -4.483 2.174 1.00 44.35 H new ATOM 0 HA THR A 17 0.407 -2.336 0.299 1.00 53.53 H new ATOM 0 HB THR A 17 -1.877 -2.649 -0.375 1.00 4.44 H new ATOM 0 HG1 THR A 17 -2.103 -3.912 2.172 1.00 32.22 H new ATOM 0 HG21 THR A 17 -1.979 -5.069 -0.835 1.00 64.14 H new ATOM 0 HG22 THR A 17 -0.345 -4.417 -1.105 1.00 64.14 H new ATOM 0 HG23 THR A 17 -0.699 -5.348 0.370 1.00 64.14 H new ATOM 314 N ASN A 18 -0.753 -1.789 3.247 1.00 63.23 N ATOM 315 CA ASN A 18 -1.184 -0.770 4.195 1.00 43.41 C ATOM 316 C ASN A 18 -0.454 0.548 3.948 1.00 61.33 C ATOM 317 O ASN A 18 -1.080 1.586 3.736 1.00 30.12 O ATOM 318 CB ASN A 18 -0.937 -1.241 5.630 1.00 51.52 C ATOM 319 CG ASN A 18 -2.099 -0.924 6.551 1.00 12.21 C ATOM 320 OD1 ASN A 18 -3.251 -0.866 6.118 1.00 2.50 O ATOM 321 ND2 ASN A 18 -1.803 -0.717 7.828 1.00 3.14 N ATOM 0 H ASN A 18 -0.461 -2.667 3.676 1.00 63.23 H new ATOM 0 HA ASN A 18 -2.252 -0.606 4.052 1.00 43.41 H new ATOM 0 HB2 ASN A 18 -0.759 -2.316 5.631 1.00 51.52 H new ATOM 0 HB3 ASN A 18 -0.033 -0.768 6.014 1.00 51.52 H new ATOM 0 HD21 ASN A 18 -2.544 -0.500 8.495 1.00 3.14 H new ATOM 0 HD22 ASN A 18 -0.835 -0.775 8.143 1.00 3.14 H new ATOM 328 N TRP A 19 0.873 0.496 3.973 1.00 33.55 N ATOM 329 CA TRP A 19 1.689 1.683 3.751 1.00 42.22 C ATOM 330 C TRP A 19 1.861 1.955 2.260 1.00 70.33 C ATOM 331 O TRP A 19 2.021 3.102 1.842 1.00 24.23 O ATOM 332 CB TRP A 19 3.058 1.519 4.413 1.00 61.54 C ATOM 333 CG TRP A 19 3.998 0.657 3.625 1.00 23.34 C ATOM 334 CD1 TRP A 19 3.809 -0.648 3.267 1.00 2.13 C ATOM 335 CD2 TRP A 19 5.275 1.038 3.101 1.00 73.40 C ATOM 336 NE1 TRP A 19 4.892 -1.101 2.552 1.00 74.33 N ATOM 337 CE2 TRP A 19 5.804 -0.086 2.435 1.00 1.13 C ATOM 338 CE3 TRP A 19 6.022 2.218 3.126 1.00 11.52 C ATOM 339 CZ2 TRP A 19 7.045 -0.061 1.804 1.00 15.22 C ATOM 340 CZ3 TRP A 19 7.253 2.242 2.500 1.00 32.52 C ATOM 341 CH2 TRP A 19 7.754 1.109 1.845 1.00 23.12 C ATOM 0 H TRP A 19 1.407 -0.356 4.145 1.00 33.55 H new ATOM 0 HA TRP A 19 1.176 2.534 4.200 1.00 42.22 H new ATOM 0 HB2 TRP A 19 3.507 2.502 4.551 1.00 61.54 H new ATOM 0 HB3 TRP A 19 2.925 1.087 5.405 1.00 61.54 H new ATOM 0 HD1 TRP A 19 2.937 -1.237 3.510 1.00 2.13 H new ATOM 0 HE1 TRP A 19 4.999 -2.041 2.170 1.00 74.33 H new ATOM 0 HE3 TRP A 19 5.643 3.097 3.626 1.00 11.52 H new ATOM 0 HZ2 TRP A 19 7.434 -0.934 1.300 1.00 15.22 H new ATOM 0 HZ3 TRP A 19 7.839 3.149 2.516 1.00 32.52 H new ATOM 0 HH2 TRP A 19 8.719 1.160 1.363 1.00 23.12 H new ATOM 352 N LEU A 20 1.825 0.893 1.462 1.00 43.42 N ATOM 353 CA LEU A 20 1.977 1.017 0.017 1.00 54.13 C ATOM 354 C LEU A 20 0.935 1.970 -0.561 1.00 14.55 C ATOM 355 O LEU A 20 1.139 2.562 -1.620 1.00 44.13 O ATOM 356 CB LEU A 20 1.853 -0.355 -0.648 1.00 61.24 C ATOM 357 CG LEU A 20 2.378 -0.456 -2.081 1.00 11.01 C ATOM 358 CD1 LEU A 20 3.885 -0.250 -2.113 1.00 53.31 C ATOM 359 CD2 LEU A 20 2.009 -1.801 -2.691 1.00 1.51 C ATOM 0 H LEU A 20 1.692 -0.063 1.792 1.00 43.42 H new ATOM 0 HA LEU A 20 2.967 1.425 -0.185 1.00 54.13 H new ATOM 0 HB2 LEU A 20 2.385 -1.083 -0.035 1.00 61.24 H new ATOM 0 HB3 LEU A 20 0.802 -0.644 -0.646 1.00 61.24 H new ATOM 0 HG LEU A 20 1.911 0.330 -2.675 1.00 11.01 H new ATOM 0 HD11 LEU A 20 4.241 -0.325 -3.141 1.00 53.31 H new ATOM 0 HD12 LEU A 20 4.126 0.737 -1.717 1.00 53.31 H new ATOM 0 HD13 LEU A 20 4.370 -1.013 -1.504 1.00 53.31 H new ATOM 0 HD21 LEU A 20 2.391 -1.855 -3.711 1.00 1.51 H new ATOM 0 HD22 LEU A 20 2.447 -2.603 -2.097 1.00 1.51 H new ATOM 0 HD23 LEU A 20 0.925 -1.910 -2.703 1.00 1.51 H new ATOM 371 N TRP A 21 -0.181 2.115 0.145 1.00 0.41 N ATOM 372 CA TRP A 21 -1.254 3.000 -0.295 1.00 71.54 C ATOM 373 C TRP A 21 -0.760 4.436 -0.418 1.00 52.54 C ATOM 374 O TRP A 21 -1.123 5.150 -1.354 1.00 2.22 O ATOM 375 CB TRP A 21 -2.431 2.933 0.680 1.00 51.22 C ATOM 376 CG TRP A 21 -3.614 3.741 0.240 1.00 63.03 C ATOM 377 CD1 TRP A 21 -4.753 3.273 -0.350 1.00 23.15 C ATOM 378 CD2 TRP A 21 -3.772 5.160 0.353 1.00 41.14 C ATOM 379 NE1 TRP A 21 -5.610 4.315 -0.610 1.00 31.15 N ATOM 380 CE2 TRP A 21 -5.032 5.483 -0.188 1.00 5.21 C ATOM 381 CE3 TRP A 21 -2.972 6.189 0.859 1.00 72.45 C ATOM 382 CZ2 TRP A 21 -5.508 6.791 -0.236 1.00 22.32 C ATOM 383 CZ3 TRP A 21 -3.446 7.486 0.810 1.00 61.13 C ATOM 384 CH2 TRP A 21 -4.704 7.777 0.266 1.00 31.03 C ATOM 0 H TRP A 21 -0.366 1.632 1.024 1.00 0.41 H new ATOM 0 HA TRP A 21 -1.587 2.666 -1.278 1.00 71.54 H new ATOM 0 HB2 TRP A 21 -2.735 1.893 0.800 1.00 51.22 H new ATOM 0 HB3 TRP A 21 -2.103 3.285 1.658 1.00 51.22 H new ATOM 0 HD1 TRP A 21 -4.951 2.236 -0.579 1.00 23.15 H new ATOM 0 HE1 TRP A 21 -6.528 4.232 -1.047 1.00 31.15 H new ATOM 0 HE3 TRP A 21 -2.001 5.974 1.281 1.00 72.45 H new ATOM 0 HZ2 TRP A 21 -6.477 7.019 -0.655 1.00 22.32 H new ATOM 0 HZ3 TRP A 21 -2.837 8.289 1.198 1.00 61.13 H new ATOM 0 HH2 TRP A 21 -5.046 8.801 0.243 1.00 31.03 H new ATOM 395 N TYR A 22 0.068 4.856 0.532 1.00 64.12 N ATOM 396 CA TYR A 22 0.611 6.209 0.530 1.00 74.00 C ATOM 397 C TYR A 22 1.583 6.406 -0.628 1.00 42.13 C ATOM 398 O TYR A 22 1.617 7.468 -1.251 1.00 60.52 O ATOM 399 CB TYR A 22 1.314 6.501 1.857 1.00 0.14 C ATOM 400 CG TYR A 22 0.899 7.810 2.487 1.00 14.52 C ATOM 401 CD1 TYR A 22 0.699 8.945 1.712 1.00 54.24 C ATOM 402 CD2 TYR A 22 0.706 7.913 3.860 1.00 12.33 C ATOM 403 CE1 TYR A 22 0.320 10.145 2.284 1.00 24.35 C ATOM 404 CE2 TYR A 22 0.326 9.108 4.441 1.00 72.12 C ATOM 405 CZ TYR A 22 0.135 10.220 3.649 1.00 13.12 C ATOM 406 OH TYR A 22 -0.243 11.413 4.223 1.00 73.11 O ATOM 0 H TYR A 22 0.378 4.279 1.314 1.00 64.12 H new ATOM 0 HA TYR A 22 -0.218 6.905 0.405 1.00 74.00 H new ATOM 0 HB2 TYR A 22 1.106 5.690 2.555 1.00 0.14 H new ATOM 0 HB3 TYR A 22 2.392 6.512 1.693 1.00 0.14 H new ATOM 0 HD1 TYR A 22 0.842 8.889 0.643 1.00 54.24 H new ATOM 0 HD2 TYR A 22 0.856 7.044 4.483 1.00 12.33 H new ATOM 0 HE1 TYR A 22 0.170 11.018 1.666 1.00 24.35 H new ATOM 0 HE2 TYR A 22 0.180 9.170 5.509 1.00 72.12 H new ATOM 0 HH TYR A 22 -0.332 11.296 5.192 1.00 73.11 H new ATOM 416 N ILE A 23 2.372 5.375 -0.911 1.00 73.30 N ATOM 417 CA ILE A 23 3.344 5.432 -1.995 1.00 63.23 C ATOM 418 C ILE A 23 2.693 5.894 -3.293 1.00 63.14 C ATOM 419 O ILE A 23 3.157 6.840 -3.933 1.00 21.22 O ATOM 420 CB ILE A 23 4.011 4.063 -2.227 1.00 51.51 C ATOM 421 CG1 ILE A 23 5.121 3.831 -1.199 1.00 55.14 C ATOM 422 CG2 ILE A 23 4.564 3.976 -3.641 1.00 70.10 C ATOM 423 CD1 ILE A 23 4.613 3.695 0.218 1.00 34.32 C ATOM 0 H ILE A 23 2.357 4.490 -0.404 1.00 73.30 H new ATOM 0 HA ILE A 23 4.106 6.152 -1.697 1.00 63.23 H new ATOM 0 HB ILE A 23 3.259 3.284 -2.104 1.00 51.51 H new ATOM 0 HG12 ILE A 23 5.671 2.929 -1.467 1.00 55.14 H new ATOM 0 HG13 ILE A 23 5.827 4.660 -1.245 1.00 55.14 H new ATOM 0 HG21 ILE A 23 5.032 3.003 -3.789 1.00 70.10 H new ATOM 0 HG22 ILE A 23 3.752 4.101 -4.358 1.00 70.10 H new ATOM 0 HG23 ILE A 23 5.305 4.762 -3.791 1.00 70.10 H new ATOM 0 HD11 ILE A 23 5.454 3.533 0.892 1.00 34.32 H new ATOM 0 HD12 ILE A 23 4.088 4.606 0.505 1.00 34.32 H new ATOM 0 HD13 ILE A 23 3.930 2.848 0.280 1.00 34.32 H new ATOM 435 N LYS A 24 1.613 5.223 -3.679 1.00 51.21 N ATOM 436 CA LYS A 24 0.894 5.565 -4.900 1.00 61.22 C ATOM 437 C LYS A 24 0.524 7.045 -4.918 1.00 1.33 C ATOM 438 O LYS A 24 0.461 7.667 -5.978 1.00 45.51 O ATOM 439 CB LYS A 24 -0.369 4.711 -5.030 1.00 13.54 C ATOM 440 CG LYS A 24 -0.185 3.479 -5.899 1.00 50.33 C ATOM 441 CD LYS A 24 -1.358 2.524 -5.768 1.00 32.10 C ATOM 442 CE LYS A 24 -0.999 1.312 -4.922 1.00 25.40 C ATOM 443 NZ LYS A 24 -1.892 0.154 -5.203 1.00 20.13 N ATOM 0 H LYS A 24 1.216 4.438 -3.163 1.00 51.21 H new ATOM 0 HA LYS A 24 1.550 5.362 -5.746 1.00 61.22 H new ATOM 0 HB2 LYS A 24 -0.690 4.399 -4.036 1.00 13.54 H new ATOM 0 HB3 LYS A 24 -1.169 5.323 -5.447 1.00 13.54 H new ATOM 0 HG2 LYS A 24 -0.075 3.781 -6.941 1.00 50.33 H new ATOM 0 HG3 LYS A 24 0.735 2.967 -5.616 1.00 50.33 H new ATOM 0 HD2 LYS A 24 -2.204 3.045 -5.319 1.00 32.10 H new ATOM 0 HD3 LYS A 24 -1.674 2.197 -6.758 1.00 32.10 H new ATOM 0 HE2 LYS A 24 0.035 1.028 -5.115 1.00 25.40 H new ATOM 0 HE3 LYS A 24 -1.066 1.574 -3.866 1.00 25.40 H new ATOM 0 HZ1 LYS A 24 -1.614 -0.651 -4.606 1.00 20.13 H new ATOM 0 HZ2 LYS A 24 -2.877 0.416 -4.994 1.00 20.13 H new ATOM 0 HZ3 LYS A 24 -1.810 -0.113 -6.205 1.00 20.13 H new ATOM 457 N LEU A 25 0.281 7.602 -3.736 1.00 53.24 N ATOM 458 CA LEU A 25 -0.083 9.010 -3.615 1.00 64.24 C ATOM 459 C LEU A 25 1.147 9.903 -3.753 1.00 72.33 C ATOM 460 O LEU A 25 1.054 11.037 -4.223 1.00 61.45 O ATOM 461 CB LEU A 25 -0.765 9.267 -2.271 1.00 10.41 C ATOM 462 CG LEU A 25 -2.291 9.177 -2.265 1.00 34.44 C ATOM 463 CD1 LEU A 25 -2.897 10.301 -3.091 1.00 44.33 C ATOM 464 CD2 LEU A 25 -2.747 7.822 -2.789 1.00 53.31 C ATOM 0 H LEU A 25 0.329 7.101 -2.849 1.00 53.24 H new ATOM 0 HA LEU A 25 -0.778 9.251 -4.420 1.00 64.24 H new ATOM 0 HB2 LEU A 25 -0.376 8.552 -1.546 1.00 10.41 H new ATOM 0 HB3 LEU A 25 -0.478 10.260 -1.925 1.00 10.41 H new ATOM 0 HG LEU A 25 -2.637 9.283 -1.237 1.00 34.44 H new ATOM 0 HD11 LEU A 25 -3.984 10.220 -3.074 1.00 44.33 H new ATOM 0 HD12 LEU A 25 -2.599 11.262 -2.672 1.00 44.33 H new ATOM 0 HD13 LEU A 25 -2.543 10.228 -4.119 1.00 44.33 H new ATOM 0 HD21 LEU A 25 -3.836 7.775 -2.778 1.00 53.31 H new ATOM 0 HD22 LEU A 25 -2.388 7.687 -3.809 1.00 53.31 H new ATOM 0 HD23 LEU A 25 -2.343 7.032 -2.155 1.00 53.31 H new ATOM 476 N PHE A 26 2.298 9.383 -3.342 1.00 23.22 N ATOM 477 CA PHE A 26 3.547 10.132 -3.420 1.00 52.24 C ATOM 478 C PHE A 26 3.994 10.294 -4.871 1.00 32.02 C ATOM 479 O PHE A 26 4.597 11.303 -5.237 1.00 34.04 O ATOM 480 CB PHE A 26 4.641 9.429 -2.614 1.00 15.34 C ATOM 481 CG PHE A 26 6.010 10.004 -2.833 1.00 25.14 C ATOM 482 CD1 PHE A 26 6.210 11.374 -2.833 1.00 51.41 C ATOM 483 CD2 PHE A 26 7.100 9.172 -3.038 1.00 75.12 C ATOM 484 CE1 PHE A 26 7.469 11.907 -3.034 1.00 1.22 C ATOM 485 CE2 PHE A 26 8.362 9.699 -3.239 1.00 61.15 C ATOM 486 CZ PHE A 26 8.547 11.068 -3.238 1.00 75.41 C ATOM 0 H PHE A 26 2.392 8.446 -2.951 1.00 23.22 H new ATOM 0 HA PHE A 26 3.374 11.122 -2.998 1.00 52.24 H new ATOM 0 HB2 PHE A 26 4.396 9.490 -1.554 1.00 15.34 H new ATOM 0 HB3 PHE A 26 4.653 8.372 -2.878 1.00 15.34 H new ATOM 0 HD1 PHE A 26 5.371 12.035 -2.674 1.00 51.41 H new ATOM 0 HD2 PHE A 26 6.962 8.101 -3.041 1.00 75.12 H new ATOM 0 HE1 PHE A 26 7.610 12.978 -3.032 1.00 1.22 H new ATOM 0 HE2 PHE A 26 9.203 9.040 -3.397 1.00 61.15 H new ATOM 0 HZ PHE A 26 9.532 11.481 -3.396 1.00 75.41 H new ATOM 496 N ILE A 27 3.695 9.292 -5.690 1.00 64.01 N ATOM 497 CA ILE A 27 4.065 9.323 -7.099 1.00 62.33 C ATOM 498 C ILE A 27 3.378 10.476 -7.824 1.00 35.41 C ATOM 499 O ILE A 27 3.915 11.026 -8.784 1.00 73.23 O ATOM 500 CB ILE A 27 3.705 8.001 -7.805 1.00 63.14 C ATOM 501 CG1 ILE A 27 4.340 6.818 -7.072 1.00 32.33 C ATOM 502 CG2 ILE A 27 4.158 8.036 -9.258 1.00 14.45 C ATOM 503 CD1 ILE A 27 3.863 5.471 -7.571 1.00 41.13 C ATOM 0 H ILE A 27 3.198 8.449 -5.402 1.00 64.01 H new ATOM 0 HA ILE A 27 5.145 9.465 -7.138 1.00 62.33 H new ATOM 0 HB ILE A 27 2.622 7.878 -7.785 1.00 63.14 H new ATOM 0 HG12 ILE A 27 5.423 6.873 -7.180 1.00 32.33 H new ATOM 0 HG13 ILE A 27 4.121 6.901 -6.007 1.00 32.33 H new ATOM 0 HG21 ILE A 27 3.897 7.096 -9.743 1.00 14.45 H new ATOM 0 HG22 ILE A 27 3.664 8.860 -9.773 1.00 14.45 H new ATOM 0 HG23 ILE A 27 5.238 8.178 -9.299 1.00 14.45 H new ATOM 0 HD11 ILE A 27 4.355 4.679 -7.006 1.00 41.13 H new ATOM 0 HD12 ILE A 27 2.784 5.395 -7.438 1.00 41.13 H new ATOM 0 HD13 ILE A 27 4.107 5.368 -8.628 1.00 41.13 H new ATOM 515 N MET A 28 2.187 10.835 -7.354 1.00 43.41 N ATOM 516 CA MET A 28 1.428 11.926 -7.956 1.00 2.33 C ATOM 517 C MET A 28 1.843 13.269 -7.363 1.00 41.24 C ATOM 518 O MET A 28 2.146 14.213 -8.094 1.00 31.30 O ATOM 519 CB MET A 28 -0.071 11.705 -7.748 1.00 13.31 C ATOM 520 CG MET A 28 -0.570 10.373 -8.283 1.00 41.02 C ATOM 521 SD MET A 28 -2.348 10.367 -8.585 1.00 13.23 S ATOM 522 CE MET A 28 -2.975 10.289 -6.908 1.00 62.41 C ATOM 0 H MET A 28 1.728 10.388 -6.561 1.00 43.41 H new ATOM 0 HA MET A 28 1.642 11.940 -9.025 1.00 2.33 H new ATOM 0 HB2 MET A 28 -0.294 11.766 -6.683 1.00 13.31 H new ATOM 0 HB3 MET A 28 -0.620 12.511 -8.235 1.00 13.31 H new ATOM 0 HG2 MET A 28 -0.047 10.140 -9.211 1.00 41.02 H new ATOM 0 HG3 MET A 28 -0.324 9.585 -7.571 1.00 41.02 H new ATOM 0 HE1 MET A 28 -4.065 10.278 -6.927 1.00 62.41 H new ATOM 0 HE2 MET A 28 -2.612 9.382 -6.426 1.00 62.41 H new ATOM 0 HE3 MET A 28 -2.631 11.160 -6.350 1.00 62.41 H new ATOM 532 N ILE A 29 1.855 13.348 -6.037 1.00 63.15 N ATOM 533 CA ILE A 29 2.234 14.575 -5.349 1.00 3.14 C ATOM 534 C ILE A 29 3.603 15.063 -5.808 1.00 44.53 C ATOM 535 O ILE A 29 3.827 16.264 -5.966 1.00 14.13 O ATOM 536 CB ILE A 29 2.258 14.379 -3.821 1.00 42.11 C ATOM 537 CG1 ILE A 29 0.877 13.953 -3.318 1.00 53.23 C ATOM 538 CG2 ILE A 29 2.709 15.658 -3.130 1.00 73.01 C ATOM 539 CD1 ILE A 29 0.928 13.030 -2.121 1.00 22.01 C ATOM 0 H ILE A 29 1.607 12.577 -5.418 1.00 63.15 H new ATOM 0 HA ILE A 29 1.481 15.322 -5.600 1.00 3.14 H new ATOM 0 HB ILE A 29 2.970 13.589 -3.581 1.00 42.11 H new ATOM 0 HG12 ILE A 29 0.304 14.843 -3.056 1.00 53.23 H new ATOM 0 HG13 ILE A 29 0.342 13.456 -4.127 1.00 53.23 H new ATOM 0 HG21 ILE A 29 2.721 15.504 -2.051 1.00 73.01 H new ATOM 0 HG22 ILE A 29 3.711 15.921 -3.470 1.00 73.01 H new ATOM 0 HG23 ILE A 29 2.019 16.466 -3.374 1.00 73.01 H new ATOM 0 HD11 ILE A 29 -0.086 12.769 -1.819 1.00 22.01 H new ATOM 0 HD12 ILE A 29 1.473 12.123 -2.384 1.00 22.01 H new ATOM 0 HD13 ILE A 29 1.434 13.531 -1.296 1.00 22.01 H new ATOM 551 N VAL A 30 4.518 14.124 -6.024 1.00 64.43 N ATOM 552 CA VAL A 30 5.867 14.457 -6.471 1.00 33.14 C ATOM 553 C VAL A 30 5.864 14.932 -7.919 1.00 45.32 C ATOM 554 O VAL A 30 6.699 15.744 -8.318 1.00 21.24 O ATOM 555 CB VAL A 30 6.816 13.251 -6.339 1.00 1.44 C ATOM 556 CG1 VAL A 30 6.426 12.155 -7.317 1.00 64.43 C ATOM 557 CG2 VAL A 30 8.258 13.684 -6.555 1.00 21.22 C ATOM 0 H VAL A 30 4.351 13.126 -5.897 1.00 64.43 H new ATOM 0 HA VAL A 30 6.224 15.262 -5.829 1.00 33.14 H new ATOM 0 HB VAL A 30 6.729 12.849 -5.329 1.00 1.44 H new ATOM 0 HG11 VAL A 30 7.108 11.311 -7.209 1.00 64.43 H new ATOM 0 HG12 VAL A 30 5.407 11.827 -7.109 1.00 64.43 H new ATOM 0 HG13 VAL A 30 6.483 12.539 -8.335 1.00 64.43 H new ATOM 0 HG21 VAL A 30 8.916 12.820 -6.458 1.00 21.22 H new ATOM 0 HG22 VAL A 30 8.364 14.111 -7.552 1.00 21.22 H new ATOM 0 HG23 VAL A 30 8.529 14.432 -5.809 1.00 21.22 H new ATOM 567 N GLY A 31 4.920 14.422 -8.702 1.00 65.41 N ATOM 568 CA GLY A 31 4.826 14.806 -10.099 1.00 61.53 C ATOM 569 C GLY A 31 4.385 16.245 -10.276 1.00 63.22 C ATOM 570 O GLY A 31 4.657 16.864 -11.305 1.00 31.50 O ATOM 0 H GLY A 31 4.218 13.749 -8.395 1.00 65.41 H new ATOM 0 HA2 GLY A 31 5.795 14.665 -10.577 1.00 61.53 H new ATOM 0 HA3 GLY A 31 4.121 14.148 -10.607 1.00 61.53 H new ATOM 574 N LYS A 32 3.700 16.779 -9.271 1.00 5.52 N ATOM 575 CA LYS A 32 3.219 18.156 -9.319 1.00 63.54 C ATOM 576 C LYS A 32 4.379 19.132 -9.485 1.00 20.21 C ATOM 577 O LYS A 32 4.271 20.122 -10.209 1.00 12.23 O ATOM 578 CB LYS A 32 2.436 18.488 -8.047 1.00 13.02 C ATOM 579 CG LYS A 32 1.412 17.432 -7.669 1.00 51.45 C ATOM 580 CD LYS A 32 0.039 18.042 -7.442 1.00 2.50 C ATOM 581 CE LYS A 32 0.058 19.043 -6.295 1.00 54.13 C ATOM 582 NZ LYS A 32 -1.286 19.196 -5.672 1.00 34.23 N ATOM 0 H LYS A 32 3.465 16.280 -8.413 1.00 5.52 H new ATOM 0 HA LYS A 32 2.559 18.255 -10.181 1.00 63.54 H new ATOM 0 HB2 LYS A 32 3.137 18.614 -7.222 1.00 13.02 H new ATOM 0 HB3 LYS A 32 1.928 19.443 -8.182 1.00 13.02 H new ATOM 0 HG2 LYS A 32 1.352 16.683 -8.459 1.00 51.45 H new ATOM 0 HG3 LYS A 32 1.736 16.917 -6.765 1.00 51.45 H new ATOM 0 HD2 LYS A 32 -0.296 18.537 -8.353 1.00 2.50 H new ATOM 0 HD3 LYS A 32 -0.680 17.252 -7.226 1.00 2.50 H new ATOM 0 HE2 LYS A 32 0.774 18.717 -5.540 1.00 54.13 H new ATOM 0 HE3 LYS A 32 0.401 20.010 -6.662 1.00 54.13 H new ATOM 0 HZ1 LYS A 32 -1.232 19.886 -4.895 1.00 34.23 H new ATOM 0 HZ2 LYS A 32 -1.964 19.531 -6.386 1.00 34.23 H new ATOM 0 HZ3 LYS A 32 -1.602 18.278 -5.299 1.00 34.23 H new ATOM 596 N LYS A 33 5.487 18.846 -8.812 1.00 64.00 N ATOM 597 CA LYS A 33 6.669 19.697 -8.886 1.00 51.40 C ATOM 598 C LYS A 33 7.425 19.465 -10.190 1.00 44.14 C ATOM 599 O LYS A 33 7.891 20.411 -10.827 1.00 30.51 O ATOM 600 CB LYS A 33 7.591 19.430 -7.695 1.00 44.33 C ATOM 601 CG LYS A 33 8.212 20.688 -7.112 1.00 44.01 C ATOM 602 CD LYS A 33 8.043 20.747 -5.604 1.00 32.22 C ATOM 603 CE LYS A 33 8.932 19.732 -4.903 1.00 23.22 C ATOM 604 NZ LYS A 33 9.424 20.237 -3.591 1.00 70.33 N ATOM 0 H LYS A 33 5.592 18.031 -8.208 1.00 64.00 H new ATOM 0 HA LYS A 33 6.340 20.736 -8.857 1.00 51.40 H new ATOM 0 HB2 LYS A 33 7.025 18.920 -6.916 1.00 44.33 H new ATOM 0 HB3 LYS A 33 8.386 18.753 -8.007 1.00 44.33 H new ATOM 0 HG2 LYS A 33 9.273 20.720 -7.361 1.00 44.01 H new ATOM 0 HG3 LYS A 33 7.751 21.566 -7.565 1.00 44.01 H new ATOM 0 HD2 LYS A 33 8.283 21.749 -5.249 1.00 32.22 H new ATOM 0 HD3 LYS A 33 7.001 20.559 -5.346 1.00 32.22 H new ATOM 0 HE2 LYS A 33 8.376 18.807 -4.751 1.00 23.22 H new ATOM 0 HE3 LYS A 33 9.782 19.492 -5.541 1.00 23.22 H new ATOM 0 HZ1 LYS A 33 10.026 19.516 -3.145 1.00 70.33 H new ATOM 0 HZ2 LYS A 33 9.976 21.106 -3.738 1.00 70.33 H new ATOM 0 HZ3 LYS A 33 8.614 20.442 -2.972 1.00 70.33 H new ATOM 618 N LYS A 34 7.544 18.201 -10.584 1.00 42.40 N ATOM 619 CA LYS A 34 8.241 17.844 -11.813 1.00 33.42 C ATOM 620 C LYS A 34 7.615 18.542 -13.016 1.00 63.21 C ATOM 621 O LYS A 34 6.485 18.240 -13.404 1.00 23.21 O ATOM 622 CB LYS A 34 8.212 16.328 -12.018 1.00 72.42 C ATOM 623 CG LYS A 34 9.579 15.672 -11.906 1.00 15.33 C ATOM 624 CD LYS A 34 9.901 15.298 -10.469 1.00 74.02 C ATOM 625 CE LYS A 34 11.391 15.405 -10.186 1.00 40.13 C ATOM 626 NZ LYS A 34 11.781 14.642 -8.968 1.00 41.30 N ATOM 0 H LYS A 34 7.166 17.406 -10.068 1.00 42.40 H new ATOM 0 HA LYS A 34 9.276 18.173 -11.722 1.00 33.42 H new ATOM 0 HB2 LYS A 34 7.543 15.883 -11.281 1.00 72.42 H new ATOM 0 HB3 LYS A 34 7.793 16.111 -13.001 1.00 72.42 H new ATOM 0 HG2 LYS A 34 9.608 14.779 -12.531 1.00 15.33 H new ATOM 0 HG3 LYS A 34 10.342 16.351 -12.286 1.00 15.33 H new ATOM 0 HD2 LYS A 34 9.353 15.951 -9.790 1.00 74.02 H new ATOM 0 HD3 LYS A 34 9.564 14.280 -10.273 1.00 74.02 H new ATOM 0 HE2 LYS A 34 11.951 15.031 -11.043 1.00 40.13 H new ATOM 0 HE3 LYS A 34 11.662 16.453 -10.060 1.00 40.13 H new ATOM 0 HZ1 LYS A 34 12.804 14.740 -8.810 1.00 41.30 H new ATOM 0 HZ2 LYS A 34 11.266 15.015 -8.145 1.00 41.30 H new ATOM 0 HZ3 LYS A 34 11.546 13.637 -9.098 1.00 41.30 H new ATOM 640 N LYS A 35 8.355 19.476 -13.604 1.00 63.31 N ATOM 641 CA LYS A 35 7.874 20.215 -14.766 1.00 31.34 C ATOM 642 C LYS A 35 7.810 19.315 -15.996 1.00 22.41 C ATOM 643 O LYS A 35 6.732 19.040 -16.521 1.00 33.35 O ATOM 644 CB LYS A 35 8.783 21.413 -15.045 1.00 5.33 C ATOM 645 CG LYS A 35 8.541 22.590 -14.115 1.00 23.11 C ATOM 646 CD LYS A 35 9.735 22.838 -13.207 1.00 63.11 C ATOM 647 CE LYS A 35 9.935 24.322 -12.942 1.00 34.33 C ATOM 648 NZ LYS A 35 10.480 25.031 -14.132 1.00 73.13 N ATOM 0 H LYS A 35 9.291 19.739 -13.295 1.00 63.31 H new ATOM 0 HA LYS A 35 6.868 20.572 -14.547 1.00 31.34 H new ATOM 0 HB2 LYS A 35 9.823 21.098 -14.956 1.00 5.33 H new ATOM 0 HB3 LYS A 35 8.636 21.738 -16.075 1.00 5.33 H new ATOM 0 HG2 LYS A 35 8.339 23.485 -14.704 1.00 23.11 H new ATOM 0 HG3 LYS A 35 7.655 22.400 -13.509 1.00 23.11 H new ATOM 0 HD2 LYS A 35 9.589 22.315 -12.262 1.00 63.11 H new ATOM 0 HD3 LYS A 35 10.634 22.425 -13.665 1.00 63.11 H new ATOM 0 HE2 LYS A 35 8.984 24.771 -12.656 1.00 34.33 H new ATOM 0 HE3 LYS A 35 10.614 24.452 -12.100 1.00 34.33 H new ATOM 0 HZ1 LYS A 35 10.822 25.971 -13.849 1.00 73.13 H new ATOM 0 HZ2 LYS A 35 11.267 24.482 -14.533 1.00 73.13 H new ATOM 0 HZ3 LYS A 35 9.732 25.136 -14.847 1.00 73.13 H new ATOM 662 N LYS A 36 8.972 18.857 -16.449 1.00 41.11 N ATOM 663 CA LYS A 36 9.049 17.986 -17.616 1.00 31.04 C ATOM 664 C LYS A 36 9.756 16.678 -17.272 1.00 2.30 C ATOM 665 O LYS A 36 10.177 16.469 -16.134 1.00 15.20 O ATOM 666 CB LYS A 36 9.785 18.691 -18.758 1.00 33.13 C ATOM 667 CG LYS A 36 11.253 18.950 -18.467 1.00 73.21 C ATOM 668 CD LYS A 36 11.597 20.423 -18.606 1.00 63.30 C ATOM 669 CE LYS A 36 12.168 20.735 -19.981 1.00 3.44 C ATOM 670 NZ LYS A 36 11.117 20.721 -21.034 1.00 14.30 N ATOM 0 H LYS A 36 9.874 19.075 -16.025 1.00 41.11 H new ATOM 0 HA LYS A 36 8.032 17.757 -17.935 1.00 31.04 H new ATOM 0 HB2 LYS A 36 9.704 18.085 -19.660 1.00 33.13 H new ATOM 0 HB3 LYS A 36 9.291 19.640 -18.966 1.00 33.13 H new ATOM 0 HG2 LYS A 36 11.490 18.614 -17.458 1.00 73.21 H new ATOM 0 HG3 LYS A 36 11.869 18.365 -19.150 1.00 73.21 H new ATOM 0 HD2 LYS A 36 10.703 21.024 -18.437 1.00 63.30 H new ATOM 0 HD3 LYS A 36 12.319 20.703 -17.839 1.00 63.30 H new ATOM 0 HE2 LYS A 36 12.649 21.713 -19.961 1.00 3.44 H new ATOM 0 HE3 LYS A 36 12.939 20.005 -20.228 1.00 3.44 H new ATOM 0 HZ1 LYS A 36 11.546 20.938 -21.956 1.00 14.30 H new ATOM 0 HZ2 LYS A 36 10.675 19.780 -21.071 1.00 14.30 H new ATOM 0 HZ3 LYS A 36 10.394 21.435 -20.812 1.00 14.30 H new TER 684 LYS A 36