USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 547 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 36 CYS SG : rot -25:sc= -21.8! USER MOD Set 1.2: A 62 CYS SG : rot -106:sc= -24.2! USER MOD Set 2.1: A 39 CYS SG : rot 115:sc= -24.3! USER MOD Set 2.2: A 49 CYS SG : rot 113:sc= -22.7! USER MOD Set 3.1: A 13 SER OG : rot -116:sc= 3.14 USER MOD Set 3.2: A 27 SER OG : rot 29:sc= 0.906 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0944 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= -0.143 (180deg=-0.81) USER MOD Single : A 22 MET CE :methyl -155:sc= 0 (180deg=-0.581) USER MOD Single : A 23 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.02) USER MOD Single : A 25 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.445 X(o=-0.45,f=-0.42) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0.0215 X(o=0.022,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.435 X(o=-0.44,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.11 K(o=0.11,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.913 0.046 1.722 1.00 41.42 N ATOM 2 CA GLY A 1 3.155 0.044 0.971 1.00 52.02 C ATOM 3 C GLY A 1 3.619 1.442 0.613 1.00 54.11 C ATOM 4 O GLY A 1 2.974 2.437 0.945 1.00 2.13 O ATOM 0 H1 GLY A 1 2.078 -0.357 2.667 1.00 41.42 H new ATOM 0 H2 GLY A 1 1.567 1.022 1.817 1.00 41.42 H new ATOM 0 H3 GLY A 1 1.203 -0.526 1.221 1.00 41.42 H new ATOM 0 HA2 GLY A 1 3.929 -0.454 1.556 1.00 52.02 H new ATOM 0 HA3 GLY A 1 3.023 -0.536 0.058 1.00 52.02 H new ATOM 8 N PRO A 2 4.764 1.531 -0.080 1.00 33.31 N ATOM 9 CA PRO A 2 5.339 2.813 -0.497 1.00 64.40 C ATOM 10 C PRO A 2 4.514 3.492 -1.585 1.00 4.13 C ATOM 11 O PRO A 2 3.414 3.048 -1.910 1.00 20.33 O ATOM 12 CB PRO A 2 6.718 2.424 -1.036 1.00 62.42 C ATOM 13 CG PRO A 2 6.572 1.003 -1.461 1.00 52.32 C ATOM 14 CD PRO A 2 5.584 0.386 -0.510 1.00 3.10 C ATOM 0 HA PRO A 2 5.373 3.531 0.323 1.00 64.40 H new ATOM 0 HB2 PRO A 2 7.010 3.059 -1.872 1.00 62.42 H new ATOM 0 HB3 PRO A 2 7.487 2.531 -0.271 1.00 62.42 H new ATOM 0 HG2 PRO A 2 6.217 0.938 -2.489 1.00 52.32 H new ATOM 0 HG3 PRO A 2 7.529 0.483 -1.421 1.00 52.32 H new ATOM 0 HD2 PRO A 2 4.981 -0.380 -0.998 1.00 3.10 H new ATOM 0 HD3 PRO A 2 6.082 -0.091 0.334 1.00 3.10 H new ATOM 22 N GLU A 3 5.054 4.571 -2.143 1.00 61.14 N ATOM 23 CA GLU A 3 4.366 5.311 -3.195 1.00 0.14 C ATOM 24 C GLU A 3 4.655 4.705 -4.565 1.00 43.41 C ATOM 25 O GLU A 3 5.644 5.050 -5.213 1.00 54.33 O ATOM 26 CB GLU A 3 4.790 6.781 -3.175 1.00 13.20 C ATOM 27 CG GLU A 3 3.793 7.693 -2.479 1.00 74.34 C ATOM 28 CD GLU A 3 3.818 9.108 -3.024 1.00 35.22 C ATOM 29 OE1 GLU A 3 4.853 9.504 -3.598 1.00 65.42 O ATOM 30 OE2 GLU A 3 2.802 9.819 -2.875 1.00 41.23 O ATOM 0 H GLU A 3 5.964 4.952 -1.885 1.00 61.14 H new ATOM 0 HA GLU A 3 3.294 5.247 -3.008 1.00 0.14 H new ATOM 0 HB2 GLU A 3 5.756 6.865 -2.677 1.00 13.20 H new ATOM 0 HB3 GLU A 3 4.929 7.124 -4.200 1.00 13.20 H new ATOM 0 HG2 GLU A 3 2.790 7.282 -2.592 1.00 74.34 H new ATOM 0 HG3 GLU A 3 4.010 7.715 -1.411 1.00 74.34 H new ATOM 37 N LYS A 4 3.786 3.800 -5.000 1.00 61.53 N ATOM 38 CA LYS A 4 3.946 3.145 -6.293 1.00 75.23 C ATOM 39 C LYS A 4 2.795 3.500 -7.229 1.00 15.51 C ATOM 40 O LYS A 4 1.730 3.929 -6.784 1.00 4.14 O ATOM 41 CB LYS A 4 4.020 1.627 -6.114 1.00 23.13 C ATOM 42 CG LYS A 4 5.327 1.021 -6.595 1.00 43.12 C ATOM 43 CD LYS A 4 6.320 0.858 -5.456 1.00 14.20 C ATOM 44 CE LYS A 4 7.697 1.376 -5.839 1.00 5.34 C ATOM 45 NZ LYS A 4 8.780 0.456 -5.392 1.00 13.10 N ATOM 0 H LYS A 4 2.963 3.503 -4.476 1.00 61.53 H new ATOM 0 HA LYS A 4 4.876 3.499 -6.738 1.00 75.23 H new ATOM 0 HB2 LYS A 4 3.884 1.387 -5.059 1.00 23.13 H new ATOM 0 HB3 LYS A 4 3.194 1.165 -6.655 1.00 23.13 H new ATOM 0 HG2 LYS A 4 5.133 0.050 -7.051 1.00 43.12 H new ATOM 0 HG3 LYS A 4 5.760 1.655 -7.368 1.00 43.12 H new ATOM 0 HD2 LYS A 4 5.960 1.394 -4.578 1.00 14.20 H new ATOM 0 HD3 LYS A 4 6.390 -0.194 -5.180 1.00 14.20 H new ATOM 0 HE2 LYS A 4 7.750 1.501 -6.921 1.00 5.34 H new ATOM 0 HE3 LYS A 4 7.851 2.360 -5.396 1.00 5.34 H new ATOM 0 HZ1 LYS A 4 9.703 0.845 -5.672 1.00 13.10 H new ATOM 0 HZ2 LYS A 4 8.746 0.356 -4.357 1.00 13.10 H new ATOM 0 HZ3 LYS A 4 8.648 -0.476 -5.834 1.00 13.10 H new ATOM 59 N MET A 5 3.015 3.318 -8.527 1.00 0.42 N ATOM 60 CA MET A 5 1.994 3.618 -9.524 1.00 63.24 C ATOM 61 C MET A 5 1.858 2.473 -10.524 1.00 5.43 C ATOM 62 O MET A 5 2.608 1.499 -10.469 1.00 75.34 O ATOM 63 CB MET A 5 2.335 4.915 -10.260 1.00 51.21 C ATOM 64 CG MET A 5 2.570 6.096 -9.332 1.00 53.34 C ATOM 65 SD MET A 5 1.362 7.415 -9.567 1.00 64.25 S ATOM 66 CE MET A 5 -0.094 6.675 -8.833 1.00 51.10 C ATOM 0 H MET A 5 3.891 2.964 -8.913 1.00 0.42 H new ATOM 0 HA MET A 5 1.042 3.741 -9.007 1.00 63.24 H new ATOM 0 HB2 MET A 5 3.227 4.756 -10.865 1.00 51.21 H new ATOM 0 HB3 MET A 5 1.524 5.158 -10.946 1.00 51.21 H new ATOM 0 HG2 MET A 5 2.532 5.754 -8.298 1.00 53.34 H new ATOM 0 HG3 MET A 5 3.572 6.492 -9.500 1.00 53.34 H new ATOM 0 HE1 MET A 5 -0.930 7.371 -8.901 1.00 51.10 H new ATOM 0 HE2 MET A 5 -0.343 5.757 -9.365 1.00 51.10 H new ATOM 0 HE3 MET A 5 0.103 6.446 -7.786 1.00 51.10 H new ATOM 76 N GLU A 6 0.898 2.600 -11.434 1.00 62.53 N ATOM 77 CA GLU A 6 0.665 1.574 -12.445 1.00 11.15 C ATOM 78 C GLU A 6 -0.353 2.050 -13.478 1.00 24.34 C ATOM 79 O GLU A 6 -1.460 2.461 -13.131 1.00 41.21 O ATOM 80 CB GLU A 6 0.175 0.282 -11.788 1.00 24.32 C ATOM 81 CG GLU A 6 -0.924 0.499 -10.761 1.00 63.14 C ATOM 82 CD GLU A 6 -1.985 -0.584 -10.805 1.00 5.23 C ATOM 83 OE1 GLU A 6 -2.613 -0.757 -11.869 1.00 52.05 O ATOM 84 OE2 GLU A 6 -2.185 -1.258 -9.773 1.00 34.12 O ATOM 0 H GLU A 6 0.270 3.401 -11.493 1.00 62.53 H new ATOM 0 HA GLU A 6 1.609 1.379 -12.953 1.00 11.15 H new ATOM 0 HB2 GLU A 6 -0.191 -0.393 -12.562 1.00 24.32 H new ATOM 0 HB3 GLU A 6 1.018 -0.213 -11.306 1.00 24.32 H new ATOM 0 HG2 GLU A 6 -0.484 0.531 -9.764 1.00 63.14 H new ATOM 0 HG3 GLU A 6 -1.392 1.468 -10.934 1.00 63.14 H new ATOM 91 N VAL A 7 0.032 1.990 -14.749 1.00 14.42 N ATOM 92 CA VAL A 7 -0.846 2.414 -15.833 1.00 71.02 C ATOM 93 C VAL A 7 -1.412 1.213 -16.583 1.00 11.30 C ATOM 94 O VAL A 7 -0.717 0.222 -16.805 1.00 70.32 O ATOM 95 CB VAL A 7 -0.107 3.326 -16.830 1.00 64.11 C ATOM 96 CG1 VAL A 7 1.022 2.568 -17.512 1.00 22.44 C ATOM 97 CG2 VAL A 7 -1.077 3.890 -17.857 1.00 32.31 C ATOM 0 H VAL A 7 0.945 1.652 -15.053 1.00 14.42 H new ATOM 0 HA VAL A 7 -1.664 2.973 -15.378 1.00 71.02 H new ATOM 0 HB VAL A 7 0.328 4.160 -16.279 1.00 64.11 H new ATOM 0 HG11 VAL A 7 1.533 3.229 -18.213 1.00 22.44 H new ATOM 0 HG12 VAL A 7 1.731 2.218 -16.761 1.00 22.44 H new ATOM 0 HG13 VAL A 7 0.613 1.714 -18.051 1.00 22.44 H new ATOM 0 HG21 VAL A 7 -0.537 4.532 -18.553 1.00 32.31 H new ATOM 0 HG22 VAL A 7 -1.543 3.071 -18.405 1.00 32.31 H new ATOM 0 HG23 VAL A 7 -1.847 4.471 -17.350 1.00 32.31 H new ATOM 107 N LYS A 8 -2.679 1.309 -16.972 1.00 11.13 N ATOM 108 CA LYS A 8 -3.340 0.232 -17.699 1.00 13.11 C ATOM 109 C LYS A 8 -4.658 0.711 -18.301 1.00 23.33 C ATOM 110 O LYS A 8 -5.672 0.795 -17.609 1.00 24.04 O ATOM 111 CB LYS A 8 -3.594 -0.957 -16.770 1.00 61.52 C ATOM 112 CG LYS A 8 -3.817 -2.267 -17.506 1.00 70.14 C ATOM 113 CD LYS A 8 -4.083 -3.411 -16.542 1.00 10.31 C ATOM 114 CE LYS A 8 -4.148 -4.747 -17.266 1.00 11.21 C ATOM 115 NZ LYS A 8 -3.242 -5.756 -16.651 1.00 3.41 N ATOM 0 H LYS A 8 -3.269 2.122 -16.796 1.00 11.13 H new ATOM 0 HA LYS A 8 -2.683 -0.082 -18.510 1.00 13.11 H new ATOM 0 HB2 LYS A 8 -2.745 -1.069 -16.096 1.00 61.52 H new ATOM 0 HB3 LYS A 8 -4.466 -0.744 -16.152 1.00 61.52 H new ATOM 0 HG2 LYS A 8 -4.660 -2.162 -18.189 1.00 70.14 H new ATOM 0 HG3 LYS A 8 -2.942 -2.498 -18.113 1.00 70.14 H new ATOM 0 HD2 LYS A 8 -3.297 -3.443 -15.788 1.00 10.31 H new ATOM 0 HD3 LYS A 8 -5.022 -3.235 -16.017 1.00 10.31 H new ATOM 0 HE2 LYS A 8 -5.172 -5.120 -17.249 1.00 11.21 H new ATOM 0 HE3 LYS A 8 -3.878 -4.606 -18.313 1.00 11.21 H new ATOM 0 HZ1 LYS A 8 -3.315 -6.652 -17.173 1.00 3.41 H new ATOM 0 HZ2 LYS A 8 -2.261 -5.412 -16.690 1.00 3.41 H new ATOM 0 HZ3 LYS A 8 -3.515 -5.909 -15.659 1.00 3.41 H new ATOM 129 N GLU A 9 -4.635 1.021 -19.593 1.00 43.11 N ATOM 130 CA GLU A 9 -5.828 1.490 -20.287 1.00 15.33 C ATOM 131 C GLU A 9 -6.196 0.552 -21.433 1.00 0.13 C ATOM 132 O GLU A 9 -5.642 -0.541 -21.556 1.00 10.30 O ATOM 133 CB GLU A 9 -5.610 2.907 -20.823 1.00 34.24 C ATOM 134 CG GLU A 9 -4.888 3.822 -19.848 1.00 35.11 C ATOM 135 CD GLU A 9 -5.554 5.178 -19.719 1.00 14.15 C ATOM 136 OE1 GLU A 9 -6.802 5.227 -19.685 1.00 64.45 O ATOM 137 OE2 GLU A 9 -4.827 6.191 -19.650 1.00 52.21 O ATOM 0 H GLU A 9 -3.803 0.956 -20.180 1.00 43.11 H new ATOM 0 HA GLU A 9 -6.651 1.502 -19.572 1.00 15.33 H new ATOM 0 HB2 GLU A 9 -5.037 2.852 -21.749 1.00 34.24 H new ATOM 0 HB3 GLU A 9 -6.577 3.345 -21.072 1.00 34.24 H new ATOM 0 HG2 GLU A 9 -4.850 3.345 -18.868 1.00 35.11 H new ATOM 0 HG3 GLU A 9 -3.858 3.957 -20.177 1.00 35.11 H new ATOM 144 N ILE A 10 -7.134 0.987 -22.268 1.00 23.22 N ATOM 145 CA ILE A 10 -7.575 0.187 -23.403 1.00 62.25 C ATOM 146 C ILE A 10 -6.884 0.629 -24.689 1.00 55.51 C ATOM 147 O ILE A 10 -7.536 1.064 -25.638 1.00 62.21 O ATOM 148 CB ILE A 10 -9.100 0.276 -23.596 1.00 72.03 C ATOM 149 CG1 ILE A 10 -9.820 0.022 -22.270 1.00 4.31 C ATOM 150 CG2 ILE A 10 -9.560 -0.718 -24.653 1.00 4.32 C ATOM 151 CD1 ILE A 10 -10.665 1.189 -21.808 1.00 63.31 C ATOM 0 H ILE A 10 -7.603 1.889 -22.179 1.00 23.22 H new ATOM 0 HA ILE A 10 -7.305 -0.846 -23.185 1.00 62.25 H new ATOM 0 HB ILE A 10 -9.349 1.281 -23.937 1.00 72.03 H new ATOM 0 HG12 ILE A 10 -10.455 -0.858 -22.373 1.00 4.31 H new ATOM 0 HG13 ILE A 10 -9.081 -0.207 -21.503 1.00 4.31 H new ATOM 0 HG21 ILE A 10 -10.640 -0.643 -24.778 1.00 4.32 H new ATOM 0 HG22 ILE A 10 -9.069 -0.495 -25.600 1.00 4.32 H new ATOM 0 HG23 ILE A 10 -9.301 -1.729 -24.339 1.00 4.32 H new ATOM 0 HD11 ILE A 10 -11.146 0.938 -20.862 1.00 63.31 H new ATOM 0 HD12 ILE A 10 -10.032 2.066 -21.672 1.00 63.31 H new ATOM 0 HD13 ILE A 10 -11.427 1.405 -22.556 1.00 63.31 H new ATOM 163 N GLY A 11 -5.560 0.514 -24.713 1.00 40.51 N ATOM 164 CA GLY A 11 -4.803 0.905 -25.888 1.00 3.22 C ATOM 165 C GLY A 11 -4.950 -0.083 -27.028 1.00 10.12 C ATOM 166 O GLY A 11 -4.250 -1.095 -27.075 1.00 54.23 O ATOM 0 H GLY A 11 -4.998 0.157 -23.940 1.00 40.51 H new ATOM 0 HA2 GLY A 11 -5.135 1.889 -26.219 1.00 3.22 H new ATOM 0 HA3 GLY A 11 -3.749 0.996 -25.624 1.00 3.22 H new ATOM 170 N ARG A 12 -5.864 0.209 -27.948 1.00 5.33 N ATOM 171 CA ARG A 12 -6.102 -0.663 -29.091 1.00 54.13 C ATOM 172 C ARG A 12 -6.312 0.153 -30.363 1.00 50.43 C ATOM 173 O ARG A 12 -7.232 -0.110 -31.137 1.00 72.03 O ATOM 174 CB ARG A 12 -7.321 -1.551 -28.836 1.00 73.51 C ATOM 175 CG ARG A 12 -7.069 -2.655 -27.822 1.00 62.32 C ATOM 176 CD ARG A 12 -6.596 -3.934 -28.497 1.00 1.45 C ATOM 177 NE ARG A 12 -7.661 -4.574 -29.264 1.00 42.42 N ATOM 178 CZ ARG A 12 -8.659 -5.253 -28.711 1.00 14.30 C ATOM 179 NH1 ARG A 12 -8.730 -5.379 -27.393 1.00 65.10 N ATOM 180 NH2 ARG A 12 -9.591 -5.807 -29.477 1.00 0.35 N ATOM 0 H ARG A 12 -6.451 1.043 -27.924 1.00 5.33 H new ATOM 0 HA ARG A 12 -5.223 -1.293 -29.225 1.00 54.13 H new ATOM 0 HB2 ARG A 12 -8.146 -0.930 -28.487 1.00 73.51 H new ATOM 0 HB3 ARG A 12 -7.637 -2.000 -29.778 1.00 73.51 H new ATOM 0 HG2 ARG A 12 -6.321 -2.325 -27.101 1.00 62.32 H new ATOM 0 HG3 ARG A 12 -7.984 -2.854 -27.264 1.00 62.32 H new ATOM 0 HD2 ARG A 12 -5.759 -3.707 -29.158 1.00 1.45 H new ATOM 0 HD3 ARG A 12 -6.226 -4.627 -27.741 1.00 1.45 H new ATOM 0 HE ARG A 12 -7.637 -4.495 -30.281 1.00 42.42 H new ATOM 0 HH11 ARG A 12 -8.017 -4.954 -26.801 1.00 65.10 H new ATOM 0 HH12 ARG A 12 -9.498 -5.901 -26.971 1.00 65.10 H new ATOM 0 HH21 ARG A 12 -9.541 -5.711 -30.491 1.00 0.35 H new ATOM 0 HH22 ARG A 12 -10.357 -6.328 -29.051 1.00 0.35 H new ATOM 194 N SER A 13 -5.452 1.146 -30.572 1.00 35.41 N ATOM 195 CA SER A 13 -5.546 2.003 -31.747 1.00 41.44 C ATOM 196 C SER A 13 -4.213 2.057 -32.488 1.00 0.52 C ATOM 197 O SER A 13 -4.064 2.786 -33.469 1.00 12.35 O ATOM 198 CB SER A 13 -5.975 3.415 -31.342 1.00 63.11 C ATOM 199 OG SER A 13 -6.564 4.102 -32.433 1.00 21.23 O ATOM 0 H SER A 13 -4.683 1.376 -29.943 1.00 35.41 H new ATOM 0 HA SER A 13 -6.297 1.581 -32.415 1.00 41.44 H new ATOM 0 HB2 SER A 13 -6.685 3.360 -30.517 1.00 63.11 H new ATOM 0 HB3 SER A 13 -5.110 3.972 -30.982 1.00 63.11 H new ATOM 0 HG SER A 13 -6.012 4.877 -32.668 1.00 21.23 H new ATOM 205 N SER A 14 -3.246 1.280 -32.010 1.00 51.33 N ATOM 206 CA SER A 14 -1.924 1.242 -32.623 1.00 64.44 C ATOM 207 C SER A 14 -1.360 2.650 -32.788 1.00 24.42 C ATOM 208 O SER A 14 -0.597 2.922 -33.716 1.00 33.24 O ATOM 209 CB SER A 14 -1.989 0.544 -33.983 1.00 50.15 C ATOM 210 OG SER A 14 -1.931 -0.864 -33.838 1.00 34.33 O ATOM 0 H SER A 14 -3.354 0.669 -31.201 1.00 51.33 H new ATOM 0 HA SER A 14 -1.262 0.679 -31.965 1.00 64.44 H new ATOM 0 HB2 SER A 14 -2.911 0.822 -34.494 1.00 50.15 H new ATOM 0 HB3 SER A 14 -1.163 0.882 -34.609 1.00 50.15 H new ATOM 0 HG SER A 14 -1.976 -1.286 -34.721 1.00 34.33 H new ATOM 216 N LYS A 15 -1.740 3.542 -31.880 1.00 40.10 N ATOM 217 CA LYS A 15 -1.273 4.923 -31.921 1.00 61.21 C ATOM 218 C LYS A 15 0.221 5.001 -31.621 1.00 54.02 C ATOM 219 O LYS A 15 0.741 4.235 -30.810 1.00 30.13 O ATOM 220 CB LYS A 15 -2.051 5.776 -30.917 1.00 0.20 C ATOM 221 CG LYS A 15 -1.608 5.577 -29.478 1.00 1.42 C ATOM 222 CD LYS A 15 -2.209 4.317 -28.878 1.00 53.42 C ATOM 223 CE LYS A 15 -1.170 3.215 -28.740 1.00 12.22 C ATOM 224 NZ LYS A 15 -0.029 3.634 -27.880 1.00 20.35 N ATOM 0 H LYS A 15 -2.371 3.333 -31.106 1.00 40.10 H new ATOM 0 HA LYS A 15 -1.445 5.309 -32.926 1.00 61.21 H new ATOM 0 HB2 LYS A 15 -1.937 6.827 -31.181 1.00 0.20 H new ATOM 0 HB3 LYS A 15 -3.112 5.540 -30.998 1.00 0.20 H new ATOM 0 HG2 LYS A 15 -0.520 5.518 -29.436 1.00 1.42 H new ATOM 0 HG3 LYS A 15 -1.903 6.441 -28.883 1.00 1.42 H new ATOM 0 HD2 LYS A 15 -2.632 4.545 -27.899 1.00 53.42 H new ATOM 0 HD3 LYS A 15 -3.029 3.969 -29.506 1.00 53.42 H new ATOM 0 HE2 LYS A 15 -1.637 2.326 -28.316 1.00 12.22 H new ATOM 0 HE3 LYS A 15 -0.799 2.940 -29.727 1.00 12.22 H new ATOM 0 HZ1 LYS A 15 0.367 2.802 -27.398 1.00 20.35 H new ATOM 0 HZ2 LYS A 15 0.706 4.075 -28.469 1.00 20.35 H new ATOM 0 HZ3 LYS A 15 -0.362 4.319 -27.171 1.00 20.35 H new ATOM 238 N ILE A 16 0.904 5.932 -32.279 1.00 74.53 N ATOM 239 CA ILE A 16 2.336 6.111 -32.080 1.00 64.44 C ATOM 240 C ILE A 16 2.828 7.392 -32.745 1.00 13.22 C ATOM 241 O ILE A 16 2.107 8.014 -33.526 1.00 12.13 O ATOM 242 CB ILE A 16 3.136 4.918 -32.638 1.00 34.13 C ATOM 243 CG1 ILE A 16 2.318 4.179 -33.699 1.00 52.42 C ATOM 244 CG2 ILE A 16 3.530 3.973 -31.513 1.00 20.43 C ATOM 245 CD1 ILE A 16 3.131 3.199 -34.515 1.00 4.11 C ATOM 0 H ILE A 16 0.488 6.574 -32.954 1.00 74.53 H new ATOM 0 HA ILE A 16 2.498 6.177 -31.004 1.00 64.44 H new ATOM 0 HB ILE A 16 4.046 5.296 -33.105 1.00 34.13 H new ATOM 0 HG12 ILE A 16 1.503 3.645 -33.211 1.00 52.42 H new ATOM 0 HG13 ILE A 16 1.864 4.909 -34.369 1.00 52.42 H new ATOM 0 HG21 ILE A 16 4.094 3.135 -31.922 1.00 20.43 H new ATOM 0 HG22 ILE A 16 4.146 4.506 -30.789 1.00 20.43 H new ATOM 0 HG23 ILE A 16 2.632 3.599 -31.020 1.00 20.43 H new ATOM 0 HD11 ILE A 16 2.486 2.712 -35.247 1.00 4.11 H new ATOM 0 HD12 ILE A 16 3.930 3.731 -35.032 1.00 4.11 H new ATOM 0 HD13 ILE A 16 3.563 2.447 -33.855 1.00 4.11 H new ATOM 257 N ILE A 17 4.059 7.780 -32.431 1.00 1.32 N ATOM 258 CA ILE A 17 4.648 8.986 -33.000 1.00 12.32 C ATOM 259 C ILE A 17 5.868 8.653 -33.852 1.00 12.12 C ATOM 260 O ILE A 17 6.396 7.542 -33.792 1.00 3.14 O ATOM 261 CB ILE A 17 5.060 9.984 -31.901 1.00 72.12 C ATOM 262 CG1 ILE A 17 6.080 9.344 -30.958 1.00 3.24 C ATOM 263 CG2 ILE A 17 3.837 10.455 -31.128 1.00 23.44 C ATOM 264 CD1 ILE A 17 5.450 8.592 -29.806 1.00 43.40 C ATOM 0 H ILE A 17 4.668 7.277 -31.786 1.00 1.32 H new ATOM 0 HA ILE A 17 3.884 9.444 -33.628 1.00 12.32 H new ATOM 0 HB ILE A 17 5.523 10.851 -32.372 1.00 72.12 H new ATOM 0 HG12 ILE A 17 6.709 8.660 -31.527 1.00 3.24 H new ATOM 0 HG13 ILE A 17 6.733 10.121 -30.560 1.00 3.24 H new ATOM 0 HG21 ILE A 17 4.144 11.160 -30.355 1.00 23.44 H new ATOM 0 HG22 ILE A 17 3.142 10.945 -31.810 1.00 23.44 H new ATOM 0 HG23 ILE A 17 3.348 9.599 -30.664 1.00 23.44 H new ATOM 0 HD11 ILE A 17 6.233 8.165 -29.179 1.00 43.40 H new ATOM 0 HD12 ILE A 17 4.843 9.276 -29.213 1.00 43.40 H new ATOM 0 HD13 ILE A 17 4.820 7.792 -30.195 1.00 43.40 H new ATOM 276 N LEU A 18 6.312 9.623 -34.644 1.00 32.31 N ATOM 277 CA LEU A 18 7.472 9.434 -35.508 1.00 31.21 C ATOM 278 C LEU A 18 8.539 10.486 -35.224 1.00 41.15 C ATOM 279 O LEU A 18 8.394 11.660 -35.565 1.00 11.41 O ATOM 280 CB LEU A 18 7.054 9.498 -36.978 1.00 13.21 C ATOM 281 CG LEU A 18 8.058 8.941 -37.987 1.00 23.53 C ATOM 282 CD1 LEU A 18 7.397 8.736 -39.341 1.00 4.00 C ATOM 283 CD2 LEU A 18 9.259 9.867 -38.112 1.00 10.24 C ATOM 0 H LEU A 18 5.886 10.548 -34.706 1.00 32.31 H new ATOM 0 HA LEU A 18 7.893 8.451 -35.300 1.00 31.21 H new ATOM 0 HB2 LEU A 18 6.116 8.955 -37.092 1.00 13.21 H new ATOM 0 HB3 LEU A 18 6.853 10.539 -37.233 1.00 13.21 H new ATOM 0 HG LEU A 18 8.407 7.973 -37.626 1.00 23.53 H new ATOM 0 HD11 LEU A 18 8.127 8.339 -40.046 1.00 4.00 H new ATOM 0 HD12 LEU A 18 6.571 8.032 -39.240 1.00 4.00 H new ATOM 0 HD13 LEU A 18 7.018 9.690 -39.709 1.00 4.00 H new ATOM 0 HD21 LEU A 18 9.963 9.454 -38.835 1.00 10.24 H new ATOM 0 HD22 LEU A 18 8.928 10.849 -38.449 1.00 10.24 H new ATOM 0 HD23 LEU A 18 9.748 9.962 -37.142 1.00 10.24 H new ATOM 295 N PRO A 19 9.639 10.057 -34.588 1.00 1.31 N ATOM 296 CA PRO A 19 10.754 10.946 -34.247 1.00 52.22 C ATOM 297 C PRO A 19 11.527 11.405 -35.479 1.00 55.30 C ATOM 298 O PRO A 19 11.674 10.657 -36.445 1.00 2.40 O ATOM 299 CB PRO A 19 11.641 10.076 -33.353 1.00 53.30 C ATOM 300 CG PRO A 19 11.331 8.677 -33.759 1.00 31.31 C ATOM 301 CD PRO A 19 9.880 8.671 -34.152 1.00 54.33 C ATOM 0 HA PRO A 19 10.412 11.863 -33.768 1.00 52.22 H new ATOM 0 HB2 PRO A 19 12.696 10.306 -33.499 1.00 53.30 H new ATOM 0 HB3 PRO A 19 11.422 10.240 -32.298 1.00 53.30 H new ATOM 0 HG2 PRO A 19 11.962 8.363 -34.591 1.00 31.31 H new ATOM 0 HG3 PRO A 19 11.516 7.983 -32.939 1.00 31.31 H new ATOM 0 HD2 PRO A 19 9.683 7.958 -34.953 1.00 54.33 H new ATOM 0 HD3 PRO A 19 9.238 8.396 -33.315 1.00 54.33 H new ATOM 309 N ALA A 20 12.018 12.639 -35.438 1.00 10.44 N ATOM 310 CA ALA A 20 12.778 13.197 -36.550 1.00 32.34 C ATOM 311 C ALA A 20 13.242 14.616 -36.241 1.00 13.21 C ATOM 312 O ALA A 20 14.415 14.847 -35.945 1.00 35.53 O ATOM 313 CB ALA A 20 11.943 13.177 -37.822 1.00 2.14 C ATOM 0 H ALA A 20 11.903 13.272 -34.646 1.00 10.44 H new ATOM 0 HA ALA A 20 13.663 12.579 -36.700 1.00 32.34 H new ATOM 0 HB1 ALA A 20 12.523 13.596 -38.644 1.00 2.14 H new ATOM 0 HB2 ALA A 20 11.667 12.150 -38.060 1.00 2.14 H new ATOM 0 HB3 ALA A 20 11.041 13.770 -37.674 1.00 2.14 H new ATOM 319 N CYS A 21 12.314 15.565 -36.313 1.00 5.45 N ATOM 320 CA CYS A 21 12.628 16.963 -36.042 1.00 11.21 C ATOM 321 C CYS A 21 11.472 17.650 -35.321 1.00 13.21 C ATOM 322 O CYS A 21 11.681 18.424 -34.387 1.00 63.20 O ATOM 323 CB CYS A 21 12.939 17.700 -37.346 1.00 64.54 C ATOM 324 SG CYS A 21 11.721 17.415 -38.670 1.00 72.12 S ATOM 0 H CYS A 21 11.339 15.391 -36.557 1.00 5.45 H new ATOM 0 HA CYS A 21 13.506 16.993 -35.397 1.00 11.21 H new ATOM 0 HB2 CYS A 21 12.994 18.769 -37.142 1.00 64.54 H new ATOM 0 HB3 CYS A 21 13.923 17.391 -37.699 1.00 64.54 H new ATOM 329 N MET A 22 10.252 17.361 -35.761 1.00 54.14 N ATOM 330 CA MET A 22 9.062 17.950 -35.157 1.00 60.32 C ATOM 331 C MET A 22 8.285 16.907 -34.360 1.00 54.20 C ATOM 332 O MET A 22 8.776 15.804 -34.117 1.00 14.32 O ATOM 333 CB MET A 22 8.164 18.558 -36.236 1.00 33.10 C ATOM 334 CG MET A 22 7.860 20.031 -36.014 1.00 72.34 C ATOM 335 SD MET A 22 6.093 20.388 -36.049 1.00 52.24 S ATOM 336 CE MET A 22 6.053 21.789 -37.165 1.00 72.43 C ATOM 0 H MET A 22 10.061 16.723 -36.533 1.00 54.14 H new ATOM 0 HA MET A 22 9.382 18.738 -34.475 1.00 60.32 H new ATOM 0 HB2 MET A 22 8.644 18.437 -37.207 1.00 33.10 H new ATOM 0 HB3 MET A 22 7.226 18.003 -36.272 1.00 33.10 H new ATOM 0 HG2 MET A 22 8.271 20.342 -35.053 1.00 72.34 H new ATOM 0 HG3 MET A 22 8.361 20.621 -36.781 1.00 72.34 H new ATOM 0 HE1 MET A 22 5.167 22.391 -36.962 1.00 72.43 H new ATOM 0 HE2 MET A 22 6.946 22.396 -37.019 1.00 72.43 H new ATOM 0 HE3 MET A 22 6.021 21.433 -38.195 1.00 72.43 H new ATOM 346 N HIS A 23 7.070 17.263 -33.955 1.00 55.23 N ATOM 347 CA HIS A 23 6.224 16.357 -33.185 1.00 43.54 C ATOM 348 C HIS A 23 5.040 15.879 -34.019 1.00 54.24 C ATOM 349 O HIS A 23 4.122 16.647 -34.307 1.00 72.42 O ATOM 350 CB HIS A 23 5.724 17.048 -31.916 1.00 52.14 C ATOM 351 CG HIS A 23 6.588 16.800 -30.719 1.00 4.12 C ATOM 352 ND1 HIS A 23 6.179 17.061 -29.428 1.00 43.51 N ATOM 353 CD2 HIS A 23 7.846 16.310 -30.621 1.00 63.02 C ATOM 354 CE1 HIS A 23 7.149 16.744 -28.589 1.00 12.54 C ATOM 355 NE2 HIS A 23 8.171 16.285 -29.287 1.00 45.53 N ATOM 0 H HIS A 23 6.649 18.172 -34.147 1.00 55.23 H new ATOM 0 HA HIS A 23 6.822 15.490 -32.906 1.00 43.54 H new ATOM 0 HB2 HIS A 23 5.666 18.122 -32.096 1.00 52.14 H new ATOM 0 HB3 HIS A 23 4.712 16.706 -31.700 1.00 52.14 H new ATOM 0 HD2 HIS A 23 8.477 15.997 -31.440 1.00 63.02 H new ATOM 0 HE1 HIS A 23 7.112 16.844 -27.514 1.00 12.54 H new ATOM 0 HE2 HIS A 23 9.058 15.964 -28.899 1.00 45.53 H new ATOM 363 N GLU A 24 5.068 14.607 -34.404 1.00 42.15 N ATOM 364 CA GLU A 24 3.997 14.028 -35.207 1.00 0.31 C ATOM 365 C GLU A 24 3.398 12.807 -34.515 1.00 10.20 C ATOM 366 O GLU A 24 3.982 12.260 -33.578 1.00 53.45 O ATOM 367 CB GLU A 24 4.520 13.638 -36.591 1.00 0.50 C ATOM 368 CG GLU A 24 5.759 12.759 -36.548 1.00 53.52 C ATOM 369 CD GLU A 24 6.651 12.949 -37.760 1.00 35.11 C ATOM 370 OE1 GLU A 24 6.220 12.591 -38.876 1.00 0.10 O ATOM 371 OE2 GLU A 24 7.780 13.456 -37.591 1.00 74.42 O ATOM 0 H GLU A 24 5.820 13.958 -34.173 1.00 42.15 H new ATOM 0 HA GLU A 24 3.216 14.780 -35.321 1.00 0.31 H new ATOM 0 HB2 GLU A 24 3.732 13.115 -37.134 1.00 0.50 H new ATOM 0 HB3 GLU A 24 4.747 14.544 -37.153 1.00 0.50 H new ATOM 0 HG2 GLU A 24 6.327 12.982 -35.645 1.00 53.52 H new ATOM 0 HG3 GLU A 24 5.456 11.714 -36.484 1.00 53.52 H new ATOM 378 N THR A 25 2.228 12.384 -34.983 1.00 15.14 N ATOM 379 CA THR A 25 1.548 11.230 -34.409 1.00 74.41 C ATOM 380 C THR A 25 0.566 10.620 -35.403 1.00 62.44 C ATOM 381 O THR A 25 0.185 11.257 -36.386 1.00 24.30 O ATOM 382 CB THR A 25 0.789 11.606 -33.122 1.00 45.22 C ATOM 383 OG1 THR A 25 1.557 12.542 -32.357 1.00 64.03 O ATOM 384 CG2 THR A 25 0.503 10.371 -32.282 1.00 33.00 C ATOM 0 H THR A 25 1.732 12.824 -35.758 1.00 15.14 H new ATOM 0 HA THR A 25 2.319 10.498 -34.167 1.00 74.41 H new ATOM 0 HB THR A 25 -0.160 12.061 -33.406 1.00 45.22 H new ATOM 0 HG1 THR A 25 1.068 12.777 -31.541 1.00 64.03 H new ATOM 0 HG21 THR A 25 -0.033 10.662 -31.379 1.00 33.00 H new ATOM 0 HG22 THR A 25 -0.106 9.673 -32.857 1.00 33.00 H new ATOM 0 HG23 THR A 25 1.443 9.892 -32.008 1.00 33.00 H new ATOM 392 N CYS A 26 0.159 9.382 -35.142 1.00 41.02 N ATOM 393 CA CYS A 26 -0.779 8.685 -36.014 1.00 2.00 C ATOM 394 C CYS A 26 -1.527 7.598 -35.249 1.00 35.43 C ATOM 395 O CYS A 26 -0.971 6.955 -34.358 1.00 42.52 O ATOM 396 CB CYS A 26 -0.040 8.070 -37.204 1.00 74.05 C ATOM 397 SG CYS A 26 -1.040 7.959 -38.723 1.00 54.31 S ATOM 0 H CYS A 26 0.464 8.841 -34.333 1.00 41.02 H new ATOM 0 HA CYS A 26 -1.504 9.411 -36.381 1.00 2.00 H new ATOM 0 HB2 CYS A 26 0.851 8.663 -37.411 1.00 74.05 H new ATOM 0 HB3 CYS A 26 0.299 7.071 -36.931 1.00 74.05 H new ATOM 402 N SER A 27 -2.793 7.397 -35.603 1.00 22.21 N ATOM 403 CA SER A 27 -3.619 6.390 -34.948 1.00 34.12 C ATOM 404 C SER A 27 -4.902 6.143 -35.736 1.00 51.31 C ATOM 405 O SER A 27 -5.644 7.075 -36.044 1.00 42.20 O ATOM 406 CB SER A 27 -3.960 6.828 -33.522 1.00 62.00 C ATOM 407 OG SER A 27 -4.589 5.781 -32.803 1.00 40.24 O ATOM 0 H SER A 27 -3.268 7.918 -36.340 1.00 22.21 H new ATOM 0 HA SER A 27 -3.052 5.460 -34.909 1.00 34.12 H new ATOM 0 HB2 SER A 27 -3.050 7.133 -33.005 1.00 62.00 H new ATOM 0 HB3 SER A 27 -4.616 7.698 -33.553 1.00 62.00 H new ATOM 0 HG SER A 27 -4.285 4.917 -33.151 1.00 40.24 H new ATOM 413 N GLY A 28 -5.157 4.879 -36.060 1.00 23.11 N ATOM 414 CA GLY A 28 -6.350 4.531 -36.810 1.00 25.14 C ATOM 415 C GLY A 28 -6.963 3.224 -36.349 1.00 30.42 C ATOM 416 O GLY A 28 -6.633 2.158 -36.867 1.00 42.04 O ATOM 0 H GLY A 28 -4.559 4.090 -35.816 1.00 23.11 H new ATOM 0 HA2 GLY A 28 -7.085 5.329 -36.709 1.00 25.14 H new ATOM 0 HA3 GLY A 28 -6.102 4.459 -37.869 1.00 25.14 H new ATOM 420 N GLY A 29 -7.859 3.305 -35.369 1.00 62.54 N ATOM 421 CA GLY A 29 -8.504 2.111 -34.854 1.00 11.30 C ATOM 422 C GLY A 29 -9.547 2.426 -33.800 1.00 72.40 C ATOM 423 O GLY A 29 -10.717 2.070 -33.948 1.00 24.10 O ATOM 0 H GLY A 29 -8.149 4.175 -34.923 1.00 62.54 H new ATOM 0 HA2 GLY A 29 -8.974 1.572 -35.677 1.00 11.30 H new ATOM 0 HA3 GLY A 29 -7.750 1.449 -34.428 1.00 11.30 H new ATOM 427 N PHE A 30 -9.124 3.093 -32.732 1.00 31.15 N ATOM 428 CA PHE A 30 -10.030 3.453 -31.647 1.00 22.33 C ATOM 429 C PHE A 30 -10.017 4.959 -31.405 1.00 12.31 C ATOM 430 O PHE A 30 -11.046 5.556 -31.087 1.00 43.40 O ATOM 431 CB PHE A 30 -9.641 2.716 -30.364 1.00 21.45 C ATOM 432 CG PHE A 30 -10.433 3.145 -29.162 1.00 33.00 C ATOM 433 CD1 PHE A 30 -11.811 2.999 -29.136 1.00 21.11 C ATOM 434 CD2 PHE A 30 -9.801 3.694 -28.058 1.00 45.15 C ATOM 435 CE1 PHE A 30 -12.542 3.394 -28.032 1.00 13.02 C ATOM 436 CE2 PHE A 30 -10.527 4.091 -26.951 1.00 63.42 C ATOM 437 CZ PHE A 30 -11.899 3.939 -26.938 1.00 14.44 C ATOM 0 H PHE A 30 -8.160 3.395 -32.594 1.00 31.15 H new ATOM 0 HA PHE A 30 -11.039 3.158 -31.936 1.00 22.33 H new ATOM 0 HB2 PHE A 30 -9.776 1.645 -30.515 1.00 21.45 H new ATOM 0 HB3 PHE A 30 -8.581 2.879 -30.168 1.00 21.45 H new ATOM 0 HD1 PHE A 30 -12.319 2.572 -29.988 1.00 21.11 H new ATOM 0 HD2 PHE A 30 -8.728 3.813 -28.063 1.00 45.15 H new ATOM 0 HE1 PHE A 30 -13.616 3.277 -28.025 1.00 13.02 H new ATOM 0 HE2 PHE A 30 -10.022 4.519 -26.098 1.00 63.42 H new ATOM 0 HZ PHE A 30 -12.469 4.246 -26.073 1.00 14.44 H new ATOM 447 N SER A 31 -8.845 5.567 -31.557 1.00 51.34 N ATOM 448 CA SER A 31 -8.696 7.003 -31.352 1.00 14.25 C ATOM 449 C SER A 31 -8.911 7.764 -32.656 1.00 52.23 C ATOM 450 O SER A 31 -9.578 8.799 -32.683 1.00 13.35 O ATOM 451 CB SER A 31 -7.310 7.318 -30.787 1.00 21.14 C ATOM 452 OG SER A 31 -7.217 6.942 -29.424 1.00 31.34 O ATOM 0 H SER A 31 -7.985 5.087 -31.821 1.00 51.34 H new ATOM 0 HA SER A 31 -9.454 7.323 -30.636 1.00 14.25 H new ATOM 0 HB2 SER A 31 -6.550 6.792 -31.365 1.00 21.14 H new ATOM 0 HB3 SER A 31 -7.106 8.384 -30.888 1.00 21.14 H new ATOM 0 HG SER A 31 -6.321 7.152 -29.087 1.00 31.34 H new ATOM 458 N LEU A 32 -8.341 7.244 -33.738 1.00 11.14 N ATOM 459 CA LEU A 32 -8.469 7.873 -35.048 1.00 11.24 C ATOM 460 C LEU A 32 -7.985 9.319 -35.007 1.00 13.21 C ATOM 461 O LEU A 32 -8.783 10.255 -35.075 1.00 60.45 O ATOM 462 CB LEU A 32 -9.923 7.823 -35.519 1.00 53.14 C ATOM 463 CG LEU A 32 -10.192 8.361 -36.925 1.00 63.14 C ATOM 464 CD1 LEU A 32 -9.770 7.344 -37.975 1.00 54.42 C ATOM 465 CD2 LEU A 32 -11.662 8.720 -37.088 1.00 23.35 C ATOM 0 H LEU A 32 -7.786 6.388 -33.734 1.00 11.14 H new ATOM 0 HA LEU A 32 -7.846 7.321 -35.752 1.00 11.24 H new ATOM 0 HB2 LEU A 32 -10.262 6.788 -35.477 1.00 53.14 H new ATOM 0 HB3 LEU A 32 -10.532 8.387 -34.813 1.00 53.14 H new ATOM 0 HG LEU A 32 -9.601 9.266 -37.066 1.00 63.14 H new ATOM 0 HD11 LEU A 32 -9.969 7.744 -38.969 1.00 54.42 H new ATOM 0 HD12 LEU A 32 -8.705 7.137 -37.873 1.00 54.42 H new ATOM 0 HD13 LEU A 32 -10.334 6.422 -37.835 1.00 54.42 H new ATOM 0 HD21 LEU A 32 -11.834 9.101 -38.095 1.00 23.35 H new ATOM 0 HD22 LEU A 32 -12.273 7.832 -36.927 1.00 23.35 H new ATOM 0 HD23 LEU A 32 -11.933 9.484 -36.360 1.00 23.35 H new ATOM 477 N LYS A 33 -6.673 9.496 -34.897 1.00 20.32 N ATOM 478 CA LYS A 33 -6.081 10.827 -34.851 1.00 3.24 C ATOM 479 C LYS A 33 -4.666 10.814 -35.421 1.00 72.31 C ATOM 480 O LYS A 33 -4.136 9.758 -35.766 1.00 12.41 O ATOM 481 CB LYS A 33 -6.057 11.347 -33.412 1.00 3.54 C ATOM 482 CG LYS A 33 -7.400 11.256 -32.709 1.00 72.31 C ATOM 483 CD LYS A 33 -7.315 11.751 -31.275 1.00 64.21 C ATOM 484 CE LYS A 33 -7.528 13.254 -31.191 1.00 4.51 C ATOM 485 NZ LYS A 33 -8.038 13.669 -29.854 1.00 64.55 N ATOM 0 H LYS A 33 -5.999 8.733 -34.838 1.00 20.32 H new ATOM 0 HA LYS A 33 -6.693 11.491 -35.461 1.00 3.24 H new ATOM 0 HB2 LYS A 33 -5.319 10.781 -32.843 1.00 3.54 H new ATOM 0 HB3 LYS A 33 -5.728 12.386 -33.416 1.00 3.54 H new ATOM 0 HG2 LYS A 33 -8.138 11.845 -33.255 1.00 72.31 H new ATOM 0 HG3 LYS A 33 -7.747 10.223 -32.718 1.00 72.31 H new ATOM 0 HD2 LYS A 33 -8.064 11.242 -30.668 1.00 64.21 H new ATOM 0 HD3 LYS A 33 -6.340 11.497 -30.858 1.00 64.21 H new ATOM 0 HE2 LYS A 33 -6.588 13.766 -31.396 1.00 4.51 H new ATOM 0 HE3 LYS A 33 -8.234 13.564 -31.961 1.00 4.51 H new ATOM 0 HZ1 LYS A 33 -8.170 14.700 -29.838 1.00 64.55 H new ATOM 0 HZ2 LYS A 33 -8.948 13.201 -29.669 1.00 64.55 H new ATOM 0 HZ3 LYS A 33 -7.353 13.396 -29.121 1.00 64.55 H new ATOM 499 N ASN A 34 -4.060 11.993 -35.516 1.00 60.42 N ATOM 500 CA ASN A 34 -2.706 12.116 -36.044 1.00 70.52 C ATOM 501 C ASN A 34 -2.184 13.540 -35.878 1.00 34.42 C ATOM 502 O ASN A 34 -2.953 14.501 -35.907 1.00 73.42 O ATOM 503 CB ASN A 34 -2.674 11.718 -37.521 1.00 53.24 C ATOM 504 CG ASN A 34 -4.009 11.937 -38.208 1.00 3.02 C ATOM 505 OD1 ASN A 34 -4.557 11.026 -38.827 1.00 75.34 O ATOM 506 ND2 ASN A 34 -4.537 13.151 -38.100 1.00 71.43 N ATOM 0 H ASN A 34 -4.485 12.877 -35.234 1.00 60.42 H new ATOM 0 HA ASN A 34 -2.060 11.443 -35.479 1.00 70.52 H new ATOM 0 HB2 ASN A 34 -1.905 12.296 -38.034 1.00 53.24 H new ATOM 0 HB3 ASN A 34 -2.393 10.668 -37.606 1.00 53.24 H new ATOM 0 HD21 ASN A 34 -5.433 13.358 -38.541 1.00 71.43 H new ATOM 0 HD22 ASN A 34 -4.046 13.876 -37.576 1.00 71.43 H new ATOM 513 N ASP A 35 -0.874 13.667 -35.704 1.00 23.14 N ATOM 514 CA ASP A 35 -0.248 14.973 -35.534 1.00 52.32 C ATOM 515 C ASP A 35 0.673 15.291 -36.708 1.00 21.01 C ATOM 516 O ASP A 35 1.494 14.465 -37.108 1.00 22.02 O ATOM 517 CB ASP A 35 0.540 15.019 -34.224 1.00 51.22 C ATOM 518 CG ASP A 35 0.707 16.431 -33.698 1.00 41.23 C ATOM 519 OD1 ASP A 35 0.846 17.358 -34.523 1.00 11.40 O ATOM 520 OD2 ASP A 35 0.700 16.609 -32.462 1.00 1.10 O ATOM 0 H ASP A 35 -0.224 12.881 -35.677 1.00 23.14 H new ATOM 0 HA ASP A 35 -1.037 15.725 -35.500 1.00 52.32 H new ATOM 0 HB2 ASP A 35 0.030 14.413 -33.475 1.00 51.22 H new ATOM 0 HB3 ASP A 35 1.523 14.573 -34.379 1.00 51.22 H new ATOM 525 N CYS A 36 0.531 16.493 -37.257 1.00 33.32 N ATOM 526 CA CYS A 36 1.348 16.920 -38.386 1.00 3.13 C ATOM 527 C CYS A 36 2.831 16.711 -38.093 1.00 63.23 C ATOM 528 O CYS A 36 3.212 16.375 -36.972 1.00 12.12 O ATOM 529 CB CYS A 36 1.083 18.392 -38.706 1.00 1.41 C ATOM 530 SG CYS A 36 -0.104 18.656 -40.062 1.00 13.30 S ATOM 0 H CYS A 36 -0.143 17.189 -36.938 1.00 33.32 H new ATOM 0 HA CYS A 36 1.077 16.313 -39.250 1.00 3.13 H new ATOM 0 HB2 CYS A 36 0.709 18.886 -37.809 1.00 1.41 H new ATOM 0 HB3 CYS A 36 2.027 18.872 -38.965 1.00 1.41 H new ATOM 0 HG CYS A 36 -0.103 17.620 -40.848 1.00 13.30 H new ATOM 535 N TRP A 37 3.663 16.912 -39.109 1.00 74.23 N ATOM 536 CA TRP A 37 5.104 16.746 -38.961 1.00 61.55 C ATOM 537 C TRP A 37 5.831 18.064 -39.200 1.00 44.10 C ATOM 538 O TRP A 37 5.210 19.126 -39.256 1.00 63.11 O ATOM 539 CB TRP A 37 5.618 15.682 -39.934 1.00 12.34 C ATOM 540 CG TRP A 37 5.303 15.986 -41.367 1.00 51.21 C ATOM 541 CD1 TRP A 37 4.106 15.806 -41.999 1.00 72.12 C ATOM 542 CD2 TRP A 37 6.199 16.522 -42.346 1.00 63.15 C ATOM 543 NE1 TRP A 37 4.204 16.197 -43.313 1.00 1.33 N ATOM 544 CE2 TRP A 37 5.478 16.641 -43.550 1.00 51.25 C ATOM 545 CE3 TRP A 37 7.540 16.914 -42.323 1.00 43.32 C ATOM 546 CZ2 TRP A 37 6.055 17.135 -44.718 1.00 14.04 C ATOM 547 CZ3 TRP A 37 8.111 17.404 -43.482 1.00 63.15 C ATOM 548 CH2 TRP A 37 7.369 17.512 -44.666 1.00 62.42 C ATOM 0 H TRP A 37 3.364 17.190 -40.044 1.00 74.23 H new ATOM 0 HA TRP A 37 5.304 16.422 -37.940 1.00 61.55 H new ATOM 0 HB2 TRP A 37 6.698 15.586 -39.819 1.00 12.34 H new ATOM 0 HB3 TRP A 37 5.183 14.718 -39.670 1.00 12.34 H new ATOM 0 HD1 TRP A 37 3.213 15.414 -41.535 1.00 72.12 H new ATOM 0 HE1 TRP A 37 3.451 16.162 -44.000 1.00 1.33 H new ATOM 0 HE3 TRP A 37 8.120 16.835 -41.415 1.00 43.32 H new ATOM 0 HZ2 TRP A 37 5.485 17.217 -45.632 1.00 14.04 H new ATOM 0 HZ3 TRP A 37 9.147 17.709 -43.475 1.00 63.15 H new ATOM 0 HH2 TRP A 37 7.844 17.900 -45.555 1.00 62.42 H new ATOM 559 N CYS A 38 7.151 17.990 -39.340 1.00 52.22 N ATOM 560 CA CYS A 38 7.963 19.178 -39.573 1.00 3.13 C ATOM 561 C CYS A 38 7.309 20.091 -40.606 1.00 22.11 C ATOM 562 O CYS A 38 6.534 19.638 -41.448 1.00 53.04 O ATOM 563 CB CYS A 38 9.364 18.780 -40.042 1.00 71.30 C ATOM 564 SG CYS A 38 10.694 19.237 -38.885 1.00 1.25 S ATOM 0 H CYS A 38 7.681 17.119 -39.296 1.00 52.22 H new ATOM 0 HA CYS A 38 8.043 19.723 -38.632 1.00 3.13 H new ATOM 0 HB2 CYS A 38 9.390 17.702 -40.200 1.00 71.30 H new ATOM 0 HB3 CYS A 38 9.559 19.249 -41.007 1.00 71.30 H new ATOM 569 N CYS A 39 7.627 21.379 -40.535 1.00 5.11 N ATOM 570 CA CYS A 39 7.072 22.357 -41.463 1.00 31.23 C ATOM 571 C CYS A 39 8.131 22.829 -42.454 1.00 63.03 C ATOM 572 O CYS A 39 9.191 22.215 -42.588 1.00 35.53 O ATOM 573 CB CYS A 39 6.505 23.554 -40.696 1.00 65.33 C ATOM 574 SG CYS A 39 4.856 24.084 -41.259 1.00 42.12 S ATOM 0 H CYS A 39 8.267 21.770 -39.844 1.00 5.11 H new ATOM 0 HA CYS A 39 6.268 21.877 -42.020 1.00 31.23 H new ATOM 0 HB2 CYS A 39 6.452 23.301 -39.637 1.00 65.33 H new ATOM 0 HB3 CYS A 39 7.196 24.392 -40.789 1.00 65.33 H new ATOM 0 HG CYS A 39 3.991 23.894 -40.307 1.00 42.12 H new ATOM 579 N LEU A 40 7.839 23.924 -43.147 1.00 74.34 N ATOM 580 CA LEU A 40 8.766 24.480 -44.127 1.00 75.32 C ATOM 581 C LEU A 40 10.093 24.849 -43.473 1.00 30.43 C ATOM 582 O LEU A 40 11.125 24.240 -43.754 1.00 64.20 O ATOM 583 CB LEU A 40 8.153 25.712 -44.796 1.00 5.05 C ATOM 584 CG LEU A 40 8.655 26.030 -46.205 1.00 34.32 C ATOM 585 CD1 LEU A 40 10.137 26.367 -46.181 1.00 23.23 C ATOM 586 CD2 LEU A 40 8.387 24.861 -47.142 1.00 55.42 C ATOM 0 H LEU A 40 6.967 24.445 -43.049 1.00 74.34 H new ATOM 0 HA LEU A 40 8.955 23.719 -44.884 1.00 75.32 H new ATOM 0 HB2 LEU A 40 7.072 25.578 -44.839 1.00 5.05 H new ATOM 0 HB3 LEU A 40 8.342 26.577 -44.161 1.00 5.05 H new ATOM 0 HG LEU A 40 8.112 26.900 -46.576 1.00 34.32 H new ATOM 0 HD11 LEU A 40 10.476 26.590 -47.193 1.00 23.23 H new ATOM 0 HD12 LEU A 40 10.302 27.235 -45.543 1.00 23.23 H new ATOM 0 HD13 LEU A 40 10.697 25.517 -45.790 1.00 23.23 H new ATOM 0 HD21 LEU A 40 8.750 25.104 -48.140 1.00 55.42 H new ATOM 0 HD22 LEU A 40 8.903 23.974 -46.774 1.00 55.42 H new ATOM 0 HD23 LEU A 40 7.315 24.666 -47.184 1.00 55.42 H new ATOM 598 N ARG A 41 10.058 25.848 -42.597 1.00 73.31 N ATOM 599 CA ARG A 41 11.258 26.297 -41.902 1.00 33.13 C ATOM 600 C ARG A 41 10.911 26.853 -40.524 1.00 4.04 C ATOM 601 O ARG A 41 10.115 27.784 -40.400 1.00 54.22 O ATOM 602 CB ARG A 41 11.982 27.363 -42.726 1.00 71.32 C ATOM 603 CG ARG A 41 13.046 28.117 -41.946 1.00 43.13 C ATOM 604 CD ARG A 41 12.553 29.489 -41.515 1.00 1.31 C ATOM 605 NE ARG A 41 13.641 30.459 -41.427 1.00 43.44 N ATOM 606 CZ ARG A 41 13.572 31.579 -40.716 1.00 24.13 C ATOM 607 NH1 ARG A 41 12.473 31.868 -40.033 1.00 21.31 N ATOM 608 NH2 ARG A 41 14.605 32.412 -40.686 1.00 13.04 N ATOM 0 H ARG A 41 9.212 26.362 -42.352 1.00 73.31 H new ATOM 0 HA ARG A 41 11.916 25.438 -41.774 1.00 33.13 H new ATOM 0 HB2 ARG A 41 12.445 26.889 -43.591 1.00 71.32 H new ATOM 0 HB3 ARG A 41 11.250 28.075 -43.107 1.00 71.32 H new ATOM 0 HG2 ARG A 41 13.332 27.539 -41.067 1.00 43.13 H new ATOM 0 HG3 ARG A 41 13.940 28.227 -42.560 1.00 43.13 H new ATOM 0 HD2 ARG A 41 11.806 29.845 -42.225 1.00 1.31 H new ATOM 0 HD3 ARG A 41 12.059 29.409 -40.546 1.00 1.31 H new ATOM 0 HE ARG A 41 14.501 30.266 -41.940 1.00 43.44 H new ATOM 0 HH11 ARG A 41 11.678 31.230 -40.053 1.00 21.31 H new ATOM 0 HH12 ARG A 41 12.423 32.729 -39.488 1.00 21.31 H new ATOM 0 HH21 ARG A 41 15.453 32.192 -41.209 1.00 13.04 H new ATOM 0 HH22 ARG A 41 14.551 33.272 -40.140 1.00 13.04 H new ATOM 622 N LEU A 42 11.515 26.276 -39.490 1.00 55.21 N ATOM 623 CA LEU A 42 11.270 26.713 -38.120 1.00 0.41 C ATOM 624 C LEU A 42 12.546 26.634 -37.287 1.00 54.43 C ATOM 625 O LEU A 42 13.343 25.709 -37.439 1.00 61.33 O ATOM 626 CB LEU A 42 10.175 25.859 -37.479 1.00 22.13 C ATOM 627 CG LEU A 42 10.217 24.364 -37.797 1.00 44.04 C ATOM 628 CD1 LEU A 42 10.149 23.544 -36.519 1.00 32.52 C ATOM 629 CD2 LEU A 42 9.081 23.987 -38.737 1.00 64.31 C ATOM 0 H LEU A 42 12.177 25.505 -39.575 1.00 55.21 H new ATOM 0 HA LEU A 42 10.941 27.752 -38.150 1.00 0.41 H new ATOM 0 HB2 LEU A 42 10.233 25.982 -36.397 1.00 22.13 H new ATOM 0 HB3 LEU A 42 9.207 26.250 -37.793 1.00 22.13 H new ATOM 0 HG LEU A 42 11.162 24.144 -38.294 1.00 44.04 H new ATOM 0 HD11 LEU A 42 10.180 22.483 -36.766 1.00 32.52 H new ATOM 0 HD12 LEU A 42 10.997 23.793 -35.881 1.00 32.52 H new ATOM 0 HD13 LEU A 42 9.221 23.767 -35.992 1.00 32.52 H new ATOM 0 HD21 LEU A 42 9.126 22.920 -38.953 1.00 64.31 H new ATOM 0 HD22 LEU A 42 8.126 24.222 -38.267 1.00 64.31 H new ATOM 0 HD23 LEU A 42 9.176 24.549 -39.666 1.00 64.31 H new ATOM 641 N LYS A 43 12.731 27.610 -36.405 1.00 45.41 N ATOM 642 CA LYS A 43 13.908 27.651 -35.545 1.00 31.23 C ATOM 643 C LYS A 43 13.574 27.152 -34.143 1.00 30.44 C ATOM 644 O LYS A 43 14.459 26.743 -33.390 1.00 2.41 O ATOM 645 CB LYS A 43 14.463 29.075 -35.472 1.00 10.14 C ATOM 646 CG LYS A 43 13.457 30.095 -34.965 1.00 65.40 C ATOM 647 CD LYS A 43 14.128 31.411 -34.611 1.00 43.34 C ATOM 648 CE LYS A 43 13.503 32.575 -35.364 1.00 54.43 C ATOM 649 NZ LYS A 43 13.787 33.880 -34.704 1.00 74.32 N ATOM 0 H LYS A 43 12.081 28.384 -36.267 1.00 45.41 H new ATOM 0 HA LYS A 43 14.665 26.995 -35.975 1.00 31.23 H new ATOM 0 HB2 LYS A 43 15.336 29.083 -34.819 1.00 10.14 H new ATOM 0 HB3 LYS A 43 14.803 29.375 -36.463 1.00 10.14 H new ATOM 0 HG2 LYS A 43 12.696 30.267 -35.726 1.00 65.40 H new ATOM 0 HG3 LYS A 43 12.946 29.698 -34.088 1.00 65.40 H new ATOM 0 HD2 LYS A 43 14.047 31.585 -33.538 1.00 43.34 H new ATOM 0 HD3 LYS A 43 15.191 31.353 -34.845 1.00 43.34 H new ATOM 0 HE2 LYS A 43 13.885 32.594 -36.385 1.00 54.43 H new ATOM 0 HE3 LYS A 43 12.425 32.428 -35.429 1.00 54.43 H new ATOM 0 HZ1 LYS A 43 13.344 34.648 -35.248 1.00 74.32 H new ATOM 0 HZ2 LYS A 43 13.401 33.872 -33.738 1.00 74.32 H new ATOM 0 HZ3 LYS A 43 14.815 34.033 -34.664 1.00 74.32 H new ATOM 663 N THR A 44 12.291 27.185 -33.797 1.00 54.32 N ATOM 664 CA THR A 44 11.840 26.736 -32.486 1.00 51.10 C ATOM 665 C THR A 44 10.779 25.649 -32.612 1.00 71.21 C ATOM 666 O THR A 44 10.778 24.677 -31.857 1.00 21.35 O ATOM 667 CB THR A 44 11.268 27.903 -31.659 1.00 34.43 C ATOM 668 OG1 THR A 44 10.972 27.461 -30.329 1.00 0.31 O ATOM 669 CG2 THR A 44 10.008 28.458 -32.306 1.00 11.12 C ATOM 0 H THR A 44 11.545 27.519 -34.408 1.00 54.32 H new ATOM 0 HA THR A 44 12.712 26.330 -31.973 1.00 51.10 H new ATOM 0 HB THR A 44 12.017 28.694 -31.621 1.00 34.43 H new ATOM 0 HG1 THR A 44 10.610 28.209 -29.809 1.00 0.31 H new ATOM 0 HG21 THR A 44 9.622 29.281 -31.704 1.00 11.12 H new ATOM 0 HG22 THR A 44 10.242 28.819 -33.307 1.00 11.12 H new ATOM 0 HG23 THR A 44 9.256 27.672 -32.371 1.00 11.12 H new ATOM 677 N LYS A 45 9.876 25.818 -33.572 1.00 11.31 N ATOM 678 CA LYS A 45 8.809 24.850 -33.799 1.00 44.43 C ATOM 679 C LYS A 45 7.860 25.333 -34.892 1.00 3.25 C ATOM 680 O LYS A 45 7.315 24.532 -35.650 1.00 51.10 O ATOM 681 CB LYS A 45 8.031 24.605 -32.505 1.00 21.33 C ATOM 682 CG LYS A 45 6.683 23.939 -32.722 1.00 42.43 C ATOM 683 CD LYS A 45 5.972 23.676 -31.405 1.00 63.14 C ATOM 684 CE LYS A 45 5.074 22.451 -31.492 1.00 4.30 C ATOM 685 NZ LYS A 45 3.648 22.789 -31.229 1.00 2.52 N ATOM 0 H LYS A 45 9.862 26.617 -34.206 1.00 11.31 H new ATOM 0 HA LYS A 45 9.264 23.915 -34.124 1.00 44.43 H new ATOM 0 HB2 LYS A 45 8.632 23.982 -31.842 1.00 21.33 H new ATOM 0 HB3 LYS A 45 7.879 25.557 -31.997 1.00 21.33 H new ATOM 0 HG2 LYS A 45 6.060 24.574 -33.352 1.00 42.43 H new ATOM 0 HG3 LYS A 45 6.822 22.999 -33.255 1.00 42.43 H new ATOM 0 HD2 LYS A 45 6.709 23.533 -30.615 1.00 63.14 H new ATOM 0 HD3 LYS A 45 5.376 24.547 -31.132 1.00 63.14 H new ATOM 0 HE2 LYS A 45 5.165 22.004 -32.482 1.00 4.30 H new ATOM 0 HE3 LYS A 45 5.409 21.704 -30.773 1.00 4.30 H new ATOM 0 HZ1 LYS A 45 3.069 21.928 -31.298 1.00 2.52 H new ATOM 0 HZ2 LYS A 45 3.557 23.192 -30.275 1.00 2.52 H new ATOM 0 HZ3 LYS A 45 3.321 23.483 -31.931 1.00 2.52 H new ATOM 699 N GLN A 46 7.670 26.646 -34.966 1.00 14.44 N ATOM 700 CA GLN A 46 6.787 27.234 -35.966 1.00 51.51 C ATOM 701 C GLN A 46 7.432 28.458 -36.609 1.00 75.01 C ATOM 702 O GLN A 46 8.296 29.101 -36.014 1.00 72.12 O ATOM 703 CB GLN A 46 5.450 27.622 -35.333 1.00 35.45 C ATOM 704 CG GLN A 46 5.585 28.597 -34.175 1.00 14.24 C ATOM 705 CD GLN A 46 4.984 29.955 -34.482 1.00 34.41 C ATOM 706 OE1 GLN A 46 3.792 30.181 -34.271 1.00 73.31 O ATOM 707 NE2 GLN A 46 5.807 30.867 -34.983 1.00 45.42 N ATOM 0 H GLN A 46 8.115 27.322 -34.346 1.00 14.44 H new ATOM 0 HA GLN A 46 6.611 26.488 -36.741 1.00 51.51 H new ATOM 0 HB2 GLN A 46 4.811 28.065 -36.097 1.00 35.45 H new ATOM 0 HB3 GLN A 46 4.949 26.720 -34.981 1.00 35.45 H new ATOM 0 HG2 GLN A 46 5.097 28.179 -33.294 1.00 14.24 H new ATOM 0 HG3 GLN A 46 6.640 28.718 -33.928 1.00 14.24 H new ATOM 0 HE21 GLN A 46 6.788 30.637 -35.142 1.00 45.42 H new ATOM 0 HE22 GLN A 46 5.459 31.799 -35.209 1.00 45.42 H new ATOM 716 N ALA A 47 7.005 28.774 -37.828 1.00 23.43 N ATOM 717 CA ALA A 47 7.540 29.921 -38.551 1.00 32.14 C ATOM 718 C ALA A 47 6.931 30.023 -39.945 1.00 11.51 C ATOM 719 O ALA A 47 6.060 30.858 -40.192 1.00 63.04 O ATOM 720 CB ALA A 47 9.056 29.829 -38.640 1.00 71.42 C ATOM 0 H ALA A 47 6.290 28.252 -38.335 1.00 23.43 H new ATOM 0 HA ALA A 47 7.274 30.823 -38.000 1.00 32.14 H new ATOM 0 HB1 ALA A 47 9.442 30.692 -39.183 1.00 71.42 H new ATOM 0 HB2 ALA A 47 9.479 29.813 -37.636 1.00 71.42 H new ATOM 0 HB3 ALA A 47 9.335 28.916 -39.166 1.00 71.42 H new ATOM 726 N ARG A 48 7.395 29.170 -40.852 1.00 52.54 N ATOM 727 CA ARG A 48 6.897 29.167 -42.223 1.00 12.04 C ATOM 728 C ARG A 48 6.250 27.827 -42.563 1.00 4.33 C ATOM 729 O ARG A 48 6.865 26.772 -42.408 1.00 25.22 O ATOM 730 CB ARG A 48 8.035 29.460 -43.202 1.00 72.32 C ATOM 731 CG ARG A 48 8.272 30.943 -43.435 1.00 74.11 C ATOM 732 CD ARG A 48 9.688 31.347 -43.057 1.00 60.11 C ATOM 733 NE ARG A 48 9.781 32.764 -42.717 1.00 53.34 N ATOM 734 CZ ARG A 48 10.915 33.455 -42.748 1.00 21.30 C ATOM 735 NH1 ARG A 48 12.047 32.861 -43.101 1.00 52.34 N ATOM 736 NH2 ARG A 48 10.919 34.742 -42.425 1.00 72.31 N ATOM 0 H ARG A 48 8.115 28.472 -40.663 1.00 52.54 H new ATOM 0 HA ARG A 48 6.142 29.948 -42.311 1.00 12.04 H new ATOM 0 HB2 ARG A 48 8.953 29.009 -42.824 1.00 72.32 H new ATOM 0 HB3 ARG A 48 7.814 28.982 -44.156 1.00 72.32 H new ATOM 0 HG2 ARG A 48 8.092 31.181 -44.483 1.00 74.11 H new ATOM 0 HG3 ARG A 48 7.558 31.523 -42.850 1.00 74.11 H new ATOM 0 HD2 ARG A 48 10.022 30.748 -42.209 1.00 60.11 H new ATOM 0 HD3 ARG A 48 10.361 31.128 -43.886 1.00 60.11 H new ATOM 0 HE ARG A 48 8.928 33.250 -42.440 1.00 53.34 H new ATOM 0 HH11 ARG A 48 12.048 31.872 -43.349 1.00 52.34 H new ATOM 0 HH12 ARG A 48 12.917 33.393 -43.124 1.00 52.34 H new ATOM 0 HH21 ARG A 48 10.050 35.202 -42.152 1.00 72.31 H new ATOM 0 HH22 ARG A 48 11.791 35.271 -42.449 1.00 72.31 H new ATOM 750 N CYS A 49 5.006 27.877 -43.026 1.00 41.45 N ATOM 751 CA CYS A 49 4.275 26.669 -43.388 1.00 30.02 C ATOM 752 C CYS A 49 3.201 26.974 -44.429 1.00 25.53 C ATOM 753 O CYS A 49 3.046 28.116 -44.859 1.00 4.40 O ATOM 754 CB CYS A 49 3.635 26.045 -42.146 1.00 73.24 C ATOM 755 SG CYS A 49 4.489 24.555 -41.539 1.00 33.13 S ATOM 0 H CYS A 49 4.482 28.742 -43.159 1.00 41.45 H new ATOM 0 HA CYS A 49 4.983 25.961 -43.819 1.00 30.02 H new ATOM 0 HB2 CYS A 49 3.613 26.788 -41.349 1.00 73.24 H new ATOM 0 HB3 CYS A 49 2.600 25.790 -42.373 1.00 73.24 H new ATOM 0 HG CYS A 49 5.023 24.803 -40.380 1.00 33.13 H new ATOM 760 N TRP A 50 2.464 25.944 -44.828 1.00 70.10 N ATOM 761 CA TRP A 50 1.405 26.101 -45.818 1.00 53.13 C ATOM 762 C TRP A 50 0.044 25.762 -45.219 1.00 25.41 C ATOM 763 O TRP A 50 -0.128 24.711 -44.600 1.00 52.14 O ATOM 764 CB TRP A 50 1.677 25.212 -47.032 1.00 62.44 C ATOM 765 CG TRP A 50 2.049 23.806 -46.668 1.00 12.24 C ATOM 766 CD1 TRP A 50 1.247 22.703 -46.734 1.00 73.10 C ATOM 767 CD2 TRP A 50 3.316 23.354 -46.178 1.00 42.41 C ATOM 768 NE1 TRP A 50 1.939 21.592 -46.315 1.00 41.42 N ATOM 769 CE2 TRP A 50 3.211 21.965 -45.970 1.00 1.33 C ATOM 770 CE3 TRP A 50 4.530 23.988 -45.898 1.00 30.53 C ATOM 771 CZ2 TRP A 50 4.273 21.202 -45.493 1.00 25.00 C ATOM 772 CZ3 TRP A 50 5.583 23.229 -45.424 1.00 63.43 C ATOM 773 CH2 TRP A 50 5.450 21.848 -45.227 1.00 21.25 C ATOM 0 H TRP A 50 2.580 24.992 -44.481 1.00 70.10 H new ATOM 0 HA TRP A 50 1.392 27.144 -46.136 1.00 53.13 H new ATOM 0 HB2 TRP A 50 0.790 25.193 -47.665 1.00 62.44 H new ATOM 0 HB3 TRP A 50 2.481 25.652 -47.622 1.00 62.44 H new ATOM 0 HD1 TRP A 50 0.220 22.704 -47.067 1.00 73.10 H new ATOM 0 HE1 TRP A 50 1.566 20.644 -46.268 1.00 41.42 H new ATOM 0 HE3 TRP A 50 4.643 25.051 -46.049 1.00 30.53 H new ATOM 0 HZ2 TRP A 50 4.172 20.138 -45.338 1.00 25.00 H new ATOM 0 HZ3 TRP A 50 6.525 23.708 -45.202 1.00 63.43 H new ATOM 0 HH2 TRP A 50 6.293 21.282 -44.858 1.00 21.25 H new ATOM 784 N LYS A 51 -0.920 26.657 -45.406 1.00 24.41 N ATOM 785 CA LYS A 51 -2.266 26.452 -44.885 1.00 70.41 C ATOM 786 C LYS A 51 -2.987 25.352 -45.658 1.00 62.21 C ATOM 787 O LYS A 51 -2.901 25.285 -46.884 1.00 31.42 O ATOM 788 CB LYS A 51 -3.068 27.753 -44.961 1.00 71.31 C ATOM 789 CG LYS A 51 -2.560 28.836 -44.026 1.00 2.03 C ATOM 790 CD LYS A 51 -3.209 28.739 -42.655 1.00 52.34 C ATOM 791 CE LYS A 51 -2.876 29.948 -41.794 1.00 71.12 C ATOM 792 NZ LYS A 51 -3.247 29.732 -40.368 1.00 53.22 N ATOM 0 H LYS A 51 -0.794 27.532 -45.915 1.00 24.41 H new ATOM 0 HA LYS A 51 -2.182 26.144 -43.843 1.00 70.41 H new ATOM 0 HB2 LYS A 51 -3.042 28.127 -45.985 1.00 71.31 H new ATOM 0 HB3 LYS A 51 -4.111 27.541 -44.726 1.00 71.31 H new ATOM 0 HG2 LYS A 51 -1.478 28.752 -43.924 1.00 2.03 H new ATOM 0 HG3 LYS A 51 -2.764 29.816 -44.458 1.00 2.03 H new ATOM 0 HD2 LYS A 51 -4.290 28.658 -42.768 1.00 52.34 H new ATOM 0 HD3 LYS A 51 -2.872 27.831 -42.155 1.00 52.34 H new ATOM 0 HE2 LYS A 51 -1.809 30.161 -41.864 1.00 71.12 H new ATOM 0 HE3 LYS A 51 -3.401 30.823 -42.177 1.00 71.12 H new ATOM 0 HZ1 LYS A 51 -3.004 30.578 -39.814 1.00 53.22 H new ATOM 0 HZ2 LYS A 51 -4.269 29.554 -40.298 1.00 53.22 H new ATOM 0 HZ3 LYS A 51 -2.727 28.913 -39.994 1.00 53.22 H new ATOM 806 N GLU A 52 -3.697 24.493 -44.933 1.00 54.33 N ATOM 807 CA GLU A 52 -4.433 23.397 -45.553 1.00 12.42 C ATOM 808 C GLU A 52 -5.523 23.929 -46.480 1.00 4.01 C ATOM 809 O GLU A 52 -5.941 23.251 -47.418 1.00 74.40 O ATOM 810 CB GLU A 52 -5.054 22.500 -44.480 1.00 72.03 C ATOM 811 CG GLU A 52 -4.087 22.115 -43.374 1.00 3.44 C ATOM 812 CD GLU A 52 -4.598 22.489 -41.996 1.00 32.22 C ATOM 813 OE1 GLU A 52 -5.667 21.976 -41.601 1.00 43.44 O ATOM 814 OE2 GLU A 52 -3.931 23.293 -41.312 1.00 61.03 O ATOM 0 H GLU A 52 -3.778 24.535 -43.917 1.00 54.33 H new ATOM 0 HA GLU A 52 -3.731 22.811 -46.145 1.00 12.42 H new ATOM 0 HB2 GLU A 52 -5.910 23.013 -44.041 1.00 72.03 H new ATOM 0 HB3 GLU A 52 -5.433 21.593 -44.951 1.00 72.03 H new ATOM 0 HG2 GLU A 52 -3.907 21.041 -43.411 1.00 3.44 H new ATOM 0 HG3 GLU A 52 -3.129 22.605 -43.547 1.00 3.44 H new ATOM 821 N LYS A 53 -5.978 25.148 -46.210 1.00 30.31 N ATOM 822 CA LYS A 53 -7.018 25.773 -47.018 1.00 61.24 C ATOM 823 C LYS A 53 -6.456 26.249 -48.354 1.00 71.12 C ATOM 824 O LYS A 53 -7.114 26.139 -49.388 1.00 63.04 O ATOM 825 CB LYS A 53 -7.639 26.951 -46.265 1.00 41.41 C ATOM 826 CG LYS A 53 -6.655 28.069 -45.967 1.00 4.04 C ATOM 827 CD LYS A 53 -6.942 28.722 -44.625 1.00 73.11 C ATOM 828 CE LYS A 53 -6.300 30.097 -44.525 1.00 62.02 C ATOM 829 NZ LYS A 53 -7.316 31.174 -44.367 1.00 71.14 N ATOM 0 H LYS A 53 -5.642 25.723 -45.437 1.00 30.31 H new ATOM 0 HA LYS A 53 -7.789 25.028 -47.213 1.00 61.24 H new ATOM 0 HB2 LYS A 53 -8.465 27.352 -46.853 1.00 41.41 H new ATOM 0 HB3 LYS A 53 -8.061 26.590 -45.327 1.00 41.41 H new ATOM 0 HG2 LYS A 53 -5.640 27.672 -45.970 1.00 4.04 H new ATOM 0 HG3 LYS A 53 -6.706 28.819 -46.756 1.00 4.04 H new ATOM 0 HD2 LYS A 53 -8.019 28.811 -44.486 1.00 73.11 H new ATOM 0 HD3 LYS A 53 -6.569 28.086 -43.822 1.00 73.11 H new ATOM 0 HE2 LYS A 53 -5.615 30.117 -43.677 1.00 62.02 H new ATOM 0 HE3 LYS A 53 -5.706 30.286 -45.419 1.00 62.02 H new ATOM 0 HZ1 LYS A 53 -6.838 32.095 -44.302 1.00 71.14 H new ATOM 0 HZ2 LYS A 53 -7.955 31.172 -45.188 1.00 71.14 H new ATOM 0 HZ3 LYS A 53 -7.866 31.008 -43.500 1.00 71.14 H new ATOM 843 N GLU A 54 -5.236 26.776 -48.324 1.00 12.42 N ATOM 844 CA GLU A 54 -4.587 27.268 -49.533 1.00 40.14 C ATOM 845 C GLU A 54 -3.743 26.174 -50.181 1.00 73.13 C ATOM 846 O GLU A 54 -3.315 26.302 -51.328 1.00 40.14 O ATOM 847 CB GLU A 54 -3.710 28.480 -49.212 1.00 12.14 C ATOM 848 CG GLU A 54 -4.502 29.746 -48.931 1.00 5.43 C ATOM 849 CD GLU A 54 -4.078 30.906 -49.811 1.00 53.20 C ATOM 850 OE1 GLU A 54 -2.988 31.466 -49.573 1.00 23.43 O ATOM 851 OE2 GLU A 54 -4.839 31.254 -50.739 1.00 5.11 O ATOM 0 H GLU A 54 -4.678 26.873 -47.476 1.00 12.42 H new ATOM 0 HA GLU A 54 -5.365 27.568 -50.235 1.00 40.14 H new ATOM 0 HB2 GLU A 54 -3.089 28.250 -48.346 1.00 12.14 H new ATOM 0 HB3 GLU A 54 -3.035 28.662 -50.049 1.00 12.14 H new ATOM 0 HG2 GLU A 54 -5.563 29.548 -49.083 1.00 5.43 H new ATOM 0 HG3 GLU A 54 -4.377 30.024 -47.884 1.00 5.43 H new ATOM 858 N PHE A 55 -3.508 25.098 -49.438 1.00 32.04 N ATOM 859 CA PHE A 55 -2.715 23.981 -49.938 1.00 3.42 C ATOM 860 C PHE A 55 -3.320 22.648 -49.508 1.00 52.33 C ATOM 861 O PHE A 55 -3.363 22.309 -48.325 1.00 42.44 O ATOM 862 CB PHE A 55 -1.274 24.086 -49.434 1.00 2.02 C ATOM 863 CG PHE A 55 -0.455 25.109 -50.168 1.00 65.52 C ATOM 864 CD1 PHE A 55 -0.467 26.437 -49.776 1.00 54.43 C ATOM 865 CD2 PHE A 55 0.328 24.741 -51.251 1.00 21.21 C ATOM 866 CE1 PHE A 55 0.286 27.381 -50.450 1.00 34.24 C ATOM 867 CE2 PHE A 55 1.083 25.680 -51.928 1.00 24.43 C ATOM 868 CZ PHE A 55 1.061 27.001 -51.527 1.00 42.45 C ATOM 0 H PHE A 55 -3.856 24.976 -48.487 1.00 32.04 H new ATOM 0 HA PHE A 55 -2.717 24.026 -51.027 1.00 3.42 H new ATOM 0 HB2 PHE A 55 -1.286 24.335 -48.373 1.00 2.02 H new ATOM 0 HB3 PHE A 55 -0.793 23.112 -49.527 1.00 2.02 H new ATOM 0 HD1 PHE A 55 -1.072 26.739 -48.934 1.00 54.43 H new ATOM 0 HD2 PHE A 55 0.348 23.709 -51.569 1.00 21.21 H new ATOM 0 HE1 PHE A 55 0.268 28.414 -50.134 1.00 34.24 H new ATOM 0 HE2 PHE A 55 1.690 25.381 -52.770 1.00 24.43 H new ATOM 0 HZ PHE A 55 1.650 27.736 -52.056 1.00 42.45 H new ATOM 878 N PRO A 56 -3.801 21.873 -50.492 1.00 2.13 N ATOM 879 CA PRO A 56 -4.413 20.565 -50.241 1.00 61.11 C ATOM 880 C PRO A 56 -3.394 19.526 -49.787 1.00 22.42 C ATOM 881 O PRO A 56 -3.744 18.542 -49.136 1.00 13.31 O ATOM 882 CB PRO A 56 -4.998 20.181 -51.602 1.00 72.52 C ATOM 883 CG PRO A 56 -4.172 20.925 -52.594 1.00 31.33 C ATOM 884 CD PRO A 56 -3.783 22.214 -51.924 1.00 72.22 C ATOM 0 HA PRO A 56 -5.152 20.607 -49.440 1.00 61.11 H new ATOM 0 HB2 PRO A 56 -4.942 19.105 -51.768 1.00 72.52 H new ATOM 0 HB3 PRO A 56 -6.049 20.460 -51.674 1.00 72.52 H new ATOM 0 HG2 PRO A 56 -3.290 20.350 -52.877 1.00 31.33 H new ATOM 0 HG3 PRO A 56 -4.736 21.114 -53.508 1.00 31.33 H new ATOM 0 HD2 PRO A 56 -2.797 22.552 -52.244 1.00 72.22 H new ATOM 0 HD3 PRO A 56 -4.485 23.015 -52.155 1.00 72.22 H new ATOM 892 N ASN A 57 -2.131 19.751 -50.134 1.00 63.31 N ATOM 893 CA ASN A 57 -1.060 18.833 -49.762 1.00 34.25 C ATOM 894 C ASN A 57 -0.866 18.810 -48.248 1.00 62.55 C ATOM 895 O ASN A 57 -0.395 17.820 -47.688 1.00 41.22 O ATOM 896 CB ASN A 57 0.246 19.234 -50.449 1.00 3.31 C ATOM 897 CG ASN A 57 0.693 18.216 -51.480 1.00 43.44 C ATOM 898 OD1 ASN A 57 0.786 18.521 -52.670 1.00 32.14 O ATOM 899 ND2 ASN A 57 0.973 17.000 -51.028 1.00 71.40 N ATOM 0 H ASN A 57 -1.824 20.561 -50.672 1.00 63.31 H new ATOM 0 HA ASN A 57 -1.342 17.833 -50.090 1.00 34.25 H new ATOM 0 HB2 ASN A 57 0.117 20.203 -50.931 1.00 3.31 H new ATOM 0 HB3 ASN A 57 1.027 19.353 -49.698 1.00 3.31 H new ATOM 0 HD21 ASN A 57 1.279 16.273 -51.675 1.00 71.40 H new ATOM 0 HD22 ASN A 57 0.882 16.792 -50.034 1.00 71.40 H new ATOM 906 N ALA A 58 -1.232 19.906 -47.593 1.00 53.23 N ATOM 907 CA ALA A 58 -1.101 20.011 -46.145 1.00 62.14 C ATOM 908 C ALA A 58 -1.936 18.948 -45.440 1.00 72.10 C ATOM 909 O ALA A 58 -1.441 18.229 -44.572 1.00 62.10 O ATOM 910 CB ALA A 58 -1.507 21.401 -45.678 1.00 31.43 C ATOM 0 H ALA A 58 -1.622 20.735 -48.042 1.00 53.23 H new ATOM 0 HA ALA A 58 -0.055 19.844 -45.886 1.00 62.14 H new ATOM 0 HB1 ALA A 58 -1.404 21.465 -44.595 1.00 31.43 H new ATOM 0 HB2 ALA A 58 -0.864 22.145 -46.148 1.00 31.43 H new ATOM 0 HB3 ALA A 58 -2.544 21.590 -45.956 1.00 31.43 H new ATOM 916 N LYS A 59 -3.207 18.854 -45.818 1.00 24.25 N ATOM 917 CA LYS A 59 -4.112 17.878 -45.222 1.00 0.30 C ATOM 918 C LYS A 59 -3.747 16.462 -45.655 1.00 21.02 C ATOM 919 O LYS A 59 -3.854 15.518 -44.873 1.00 22.11 O ATOM 920 CB LYS A 59 -5.558 18.187 -45.616 1.00 71.34 C ATOM 921 CG LYS A 59 -5.766 18.311 -47.116 1.00 12.32 C ATOM 922 CD LYS A 59 -7.195 17.978 -47.510 1.00 73.21 C ATOM 923 CE LYS A 59 -7.305 16.567 -48.069 1.00 4.42 C ATOM 924 NZ LYS A 59 -8.009 16.543 -49.380 1.00 55.43 N ATOM 0 H LYS A 59 -3.633 19.442 -46.534 1.00 24.25 H new ATOM 0 HA LYS A 59 -4.015 17.943 -44.138 1.00 0.30 H new ATOM 0 HB2 LYS A 59 -6.207 17.400 -45.231 1.00 71.34 H new ATOM 0 HB3 LYS A 59 -5.866 19.116 -45.137 1.00 71.34 H new ATOM 0 HG2 LYS A 59 -5.527 19.326 -47.435 1.00 12.32 H new ATOM 0 HG3 LYS A 59 -5.079 17.643 -47.636 1.00 12.32 H new ATOM 0 HD2 LYS A 59 -7.846 18.078 -46.641 1.00 73.21 H new ATOM 0 HD3 LYS A 59 -7.545 18.694 -48.254 1.00 73.21 H new ATOM 0 HE2 LYS A 59 -6.307 16.144 -48.185 1.00 4.42 H new ATOM 0 HE3 LYS A 59 -7.839 15.936 -47.359 1.00 4.42 H new ATOM 0 HZ1 LYS A 59 -8.063 15.564 -49.727 1.00 55.43 H new ATOM 0 HZ2 LYS A 59 -8.970 16.923 -49.265 1.00 55.43 H new ATOM 0 HZ3 LYS A 59 -7.486 17.125 -50.065 1.00 55.43 H new ATOM 938 N GLU A 60 -3.315 16.323 -46.904 1.00 64.42 N ATOM 939 CA GLU A 60 -2.933 15.021 -47.439 1.00 73.22 C ATOM 940 C GLU A 60 -1.683 14.491 -46.742 1.00 53.24 C ATOM 941 O GLU A 60 -1.613 13.317 -46.377 1.00 4.02 O ATOM 942 CB GLU A 60 -2.689 15.116 -48.947 1.00 24.14 C ATOM 943 CG GLU A 60 -3.869 14.654 -49.785 1.00 65.21 C ATOM 944 CD GLU A 60 -3.464 13.680 -50.875 1.00 31.13 C ATOM 945 OE1 GLU A 60 -2.304 13.751 -51.333 1.00 12.15 O ATOM 946 OE2 GLU A 60 -4.307 12.847 -51.270 1.00 4.32 O ATOM 0 H GLU A 60 -3.221 17.095 -47.564 1.00 64.42 H new ATOM 0 HA GLU A 60 -3.752 14.326 -47.254 1.00 73.22 H new ATOM 0 HB2 GLU A 60 -2.454 16.149 -49.204 1.00 24.14 H new ATOM 0 HB3 GLU A 60 -1.815 14.517 -49.204 1.00 24.14 H new ATOM 0 HG2 GLU A 60 -4.607 14.182 -49.137 1.00 65.21 H new ATOM 0 HG3 GLU A 60 -4.350 15.521 -50.238 1.00 65.21 H new ATOM 953 N LEU A 61 -0.699 15.365 -46.562 1.00 62.32 N ATOM 954 CA LEU A 61 0.550 14.986 -45.910 1.00 11.43 C ATOM 955 C LEU A 61 0.336 14.753 -44.418 1.00 34.43 C ATOM 956 O LEU A 61 0.917 13.839 -43.832 1.00 21.03 O ATOM 957 CB LEU A 61 1.608 16.071 -46.121 1.00 14.11 C ATOM 958 CG LEU A 61 2.004 16.349 -47.571 1.00 73.04 C ATOM 959 CD1 LEU A 61 2.514 17.774 -47.722 1.00 30.32 C ATOM 960 CD2 LEU A 61 3.055 15.352 -48.038 1.00 13.14 C ATOM 0 H LEU A 61 -0.741 16.340 -46.858 1.00 62.32 H new ATOM 0 HA LEU A 61 0.898 14.055 -46.359 1.00 11.43 H new ATOM 0 HB2 LEU A 61 1.241 16.998 -45.681 1.00 14.11 H new ATOM 0 HB3 LEU A 61 2.504 15.789 -45.568 1.00 14.11 H new ATOM 0 HG LEU A 61 1.119 16.234 -48.197 1.00 73.04 H new ATOM 0 HD11 LEU A 61 2.791 17.953 -48.761 1.00 30.32 H new ATOM 0 HD12 LEU A 61 1.731 18.474 -47.429 1.00 30.32 H new ATOM 0 HD13 LEU A 61 3.386 17.918 -47.084 1.00 30.32 H new ATOM 0 HD21 LEU A 61 3.325 15.565 -49.072 1.00 13.14 H new ATOM 0 HD22 LEU A 61 3.940 15.435 -47.408 1.00 13.14 H new ATOM 0 HD23 LEU A 61 2.654 14.341 -47.969 1.00 13.14 H new ATOM 972 N CYS A 62 -0.504 15.583 -43.809 1.00 33.14 N ATOM 973 CA CYS A 62 -0.798 15.467 -42.385 1.00 62.44 C ATOM 974 C CYS A 62 -1.530 14.161 -42.086 1.00 5.52 C ATOM 975 O CYS A 62 -1.227 13.478 -41.108 1.00 23.33 O ATOM 976 CB CYS A 62 -1.640 16.655 -41.918 1.00 52.32 C ATOM 977 SG CYS A 62 -0.667 18.028 -41.221 1.00 43.44 S ATOM 0 H CYS A 62 -0.994 16.344 -44.280 1.00 33.14 H new ATOM 0 HA CYS A 62 0.148 15.466 -41.843 1.00 62.44 H new ATOM 0 HB2 CYS A 62 -2.222 17.028 -42.761 1.00 52.32 H new ATOM 0 HB3 CYS A 62 -2.351 16.310 -41.167 1.00 52.32 H new ATOM 0 HG CYS A 62 -0.805 18.045 -39.928 1.00 43.44 H new ATOM 982 N PHE A 63 -2.494 13.822 -42.935 1.00 11.14 N ATOM 983 CA PHE A 63 -3.270 12.600 -42.761 1.00 60.31 C ATOM 984 C PHE A 63 -2.438 11.372 -43.119 1.00 61.13 C ATOM 985 O PHE A 63 -2.555 10.323 -42.486 1.00 53.14 O ATOM 986 CB PHE A 63 -4.532 12.644 -43.625 1.00 41.43 C ATOM 987 CG PHE A 63 -5.739 13.164 -42.897 1.00 62.35 C ATOM 988 CD1 PHE A 63 -5.879 14.518 -42.638 1.00 64.43 C ATOM 989 CD2 PHE A 63 -6.733 12.298 -42.472 1.00 33.21 C ATOM 990 CE1 PHE A 63 -6.988 14.999 -41.969 1.00 71.11 C ATOM 991 CE2 PHE A 63 -7.845 12.773 -41.803 1.00 11.32 C ATOM 992 CZ PHE A 63 -7.972 14.125 -41.550 1.00 11.31 C ATOM 0 H PHE A 63 -2.757 14.376 -43.750 1.00 11.14 H new ATOM 0 HA PHE A 63 -3.558 12.529 -41.712 1.00 60.31 H new ATOM 0 HB2 PHE A 63 -4.345 13.272 -44.496 1.00 41.43 H new ATOM 0 HB3 PHE A 63 -4.745 11.641 -43.995 1.00 41.43 H new ATOM 0 HD1 PHE A 63 -5.112 15.206 -42.963 1.00 64.43 H new ATOM 0 HD2 PHE A 63 -6.638 11.240 -42.666 1.00 33.21 H new ATOM 0 HE1 PHE A 63 -7.085 16.057 -41.774 1.00 71.11 H new ATOM 0 HE2 PHE A 63 -8.614 12.088 -41.478 1.00 11.32 H new ATOM 0 HZ PHE A 63 -8.839 14.498 -41.025 1.00 11.31 H new ATOM 1002 N ALA A 64 -1.598 11.511 -44.139 1.00 45.14 N ATOM 1003 CA ALA A 64 -0.745 10.415 -44.582 1.00 23.13 C ATOM 1004 C ALA A 64 0.403 10.184 -43.605 1.00 4.10 C ATOM 1005 O ALA A 64 0.872 9.059 -43.438 1.00 61.05 O ATOM 1006 CB ALA A 64 -0.205 10.696 -45.976 1.00 72.44 C ATOM 0 H ALA A 64 -1.490 12.372 -44.675 1.00 45.14 H new ATOM 0 HA ALA A 64 -1.349 9.508 -44.614 1.00 23.13 H new ATOM 0 HB1 ALA A 64 0.430 9.869 -46.294 1.00 72.44 H new ATOM 0 HB2 ALA A 64 -1.036 10.804 -46.673 1.00 72.44 H new ATOM 0 HB3 ALA A 64 0.378 11.617 -45.961 1.00 72.44 H new ATOM 1012 N ASN A 65 0.852 11.257 -42.962 1.00 41.30 N ATOM 1013 CA ASN A 65 1.947 11.171 -42.002 1.00 51.13 C ATOM 1014 C ASN A 65 1.685 10.074 -40.975 1.00 14.10 C ATOM 1015 O ASN A 65 0.611 10.014 -40.375 1.00 71.32 O ATOM 1016 CB ASN A 65 2.138 12.514 -41.294 1.00 24.42 C ATOM 1017 CG ASN A 65 1.935 12.410 -39.795 1.00 12.44 C ATOM 1018 OD1 ASN A 65 2.885 12.197 -39.041 1.00 52.02 O ATOM 1019 ND2 ASN A 65 0.691 12.561 -39.355 1.00 11.52 N ATOM 0 H ASN A 65 0.475 12.196 -43.088 1.00 41.30 H new ATOM 0 HA ASN A 65 2.857 10.923 -42.548 1.00 51.13 H new ATOM 0 HB2 ASN A 65 3.141 12.890 -41.497 1.00 24.42 H new ATOM 0 HB3 ASN A 65 1.436 13.241 -41.704 1.00 24.42 H new ATOM 0 HD21 ASN A 65 0.493 12.502 -38.356 1.00 11.52 H new ATOM 0 HD22 ASN A 65 -0.066 12.736 -40.016 1.00 11.52 H new ATOM 1026 N CYS A 66 2.673 9.208 -40.777 1.00 1.55 N ATOM 1027 CA CYS A 66 2.551 8.113 -39.822 1.00 40.22 C ATOM 1028 C CYS A 66 3.923 7.550 -39.462 1.00 72.34 C ATOM 1029 O CYS A 66 4.876 7.627 -40.238 1.00 30.31 O ATOM 1030 CB CYS A 66 1.667 7.005 -40.397 1.00 32.44 C ATOM 1031 SG CYS A 66 -0.054 7.042 -39.800 1.00 20.22 S ATOM 0 H CYS A 66 3.568 9.243 -41.266 1.00 1.55 H new ATOM 0 HA CYS A 66 2.089 8.503 -38.915 1.00 40.22 H new ATOM 0 HB2 CYS A 66 1.665 7.084 -41.484 1.00 32.44 H new ATOM 0 HB3 CYS A 66 2.106 6.039 -40.148 1.00 32.44 H new ATOM 1036 N PRO A 67 4.026 6.969 -38.258 1.00 24.02 N ATOM 1037 CA PRO A 67 5.276 6.380 -37.768 1.00 3.33 C ATOM 1038 C PRO A 67 5.653 5.110 -38.522 1.00 23.45 C ATOM 1039 O PRO A 67 4.873 4.570 -39.306 1.00 31.41 O ATOM 1040 CB PRO A 67 4.968 6.061 -36.303 1.00 14.42 C ATOM 1041 CG PRO A 67 3.488 5.895 -36.255 1.00 20.30 C ATOM 1042 CD PRO A 67 2.931 6.842 -37.282 1.00 22.32 C ATOM 0 HA PRO A 67 6.123 7.052 -37.903 1.00 3.33 H new ATOM 0 HB2 PRO A 67 5.479 5.154 -35.979 1.00 14.42 H new ATOM 0 HB3 PRO A 67 5.298 6.865 -35.645 1.00 14.42 H new ATOM 0 HG2 PRO A 67 3.203 4.867 -36.478 1.00 20.30 H new ATOM 0 HG3 PRO A 67 3.102 6.125 -35.262 1.00 20.30 H new ATOM 0 HD2 PRO A 67 2.025 6.448 -37.743 1.00 22.32 H new ATOM 0 HD3 PRO A 67 2.671 7.805 -36.842 1.00 22.32 H new ATOM 1050 N PRO A 68 6.878 4.619 -38.280 1.00 31.51 N ATOM 1051 CA PRO A 68 7.386 3.404 -38.926 1.00 14.52 C ATOM 1052 C PRO A 68 6.677 2.147 -38.434 1.00 63.21 C ATOM 1053 O PRO A 68 6.380 2.013 -37.246 1.00 40.52 O ATOM 1054 CB PRO A 68 8.862 3.379 -38.523 1.00 10.04 C ATOM 1055 CG PRO A 68 8.920 4.148 -37.248 1.00 51.32 C ATOM 1056 CD PRO A 68 7.861 5.210 -37.357 1.00 40.41 C ATOM 0 HA PRO A 68 7.225 3.417 -40.004 1.00 14.52 H new ATOM 0 HB2 PRO A 68 9.218 2.358 -38.386 1.00 10.04 H new ATOM 0 HB3 PRO A 68 9.489 3.835 -39.289 1.00 10.04 H new ATOM 0 HG2 PRO A 68 8.735 3.499 -36.392 1.00 51.32 H new ATOM 0 HG3 PRO A 68 9.905 4.592 -37.105 1.00 51.32 H new ATOM 0 HD2 PRO A 68 7.417 5.435 -36.387 1.00 40.41 H new ATOM 0 HD3 PRO A 68 8.267 6.144 -37.746 1.00 40.41 H new ATOM 1064 N LEU A 69 6.410 1.226 -39.354 1.00 12.32 N ATOM 1065 CA LEU A 69 5.736 -0.022 -39.013 1.00 64.25 C ATOM 1066 C LEU A 69 6.700 -1.202 -39.099 1.00 51.43 C ATOM 1067 O LEU A 69 6.344 -2.271 -39.594 1.00 2.41 O ATOM 1068 CB LEU A 69 4.546 -0.253 -39.946 1.00 13.13 C ATOM 1069 CG LEU A 69 4.847 -0.203 -41.444 1.00 53.50 C ATOM 1070 CD1 LEU A 69 3.902 -1.116 -42.209 1.00 62.52 C ATOM 1071 CD2 LEU A 69 4.745 1.225 -41.961 1.00 3.24 C ATOM 0 H LEU A 69 6.650 1.320 -40.341 1.00 12.32 H new ATOM 0 HA LEU A 69 5.376 0.056 -37.987 1.00 64.25 H new ATOM 0 HB2 LEU A 69 4.113 -1.226 -39.715 1.00 13.13 H new ATOM 0 HB3 LEU A 69 3.785 0.495 -39.724 1.00 13.13 H new ATOM 0 HG LEU A 69 5.867 -0.554 -41.602 1.00 53.50 H new ATOM 0 HD11 LEU A 69 4.131 -1.067 -43.274 1.00 62.52 H new ATOM 0 HD12 LEU A 69 4.023 -2.141 -41.858 1.00 62.52 H new ATOM 0 HD13 LEU A 69 2.873 -0.795 -42.044 1.00 62.52 H new ATOM 0 HD21 LEU A 69 4.962 1.242 -43.029 1.00 3.24 H new ATOM 0 HD22 LEU A 69 3.737 1.603 -41.790 1.00 3.24 H new ATOM 0 HD23 LEU A 69 5.463 1.855 -41.435 1.00 3.24 H new ATOM 1083 N GLU A 70 7.920 -0.999 -38.612 1.00 42.12 N ATOM 1084 CA GLU A 70 8.934 -2.047 -38.633 1.00 40.31 C ATOM 1085 C GLU A 70 9.165 -2.552 -40.054 1.00 74.43 C ATOM 1086 O GLU A 70 8.840 -1.871 -41.026 1.00 42.11 O ATOM 1087 CB GLU A 70 8.518 -3.208 -37.728 1.00 73.11 C ATOM 1088 CG GLU A 70 9.691 -3.946 -37.106 1.00 3.45 C ATOM 1089 CD GLU A 70 10.127 -5.145 -37.924 1.00 60.32 C ATOM 1090 OE1 GLU A 70 9.611 -5.316 -39.049 1.00 5.15 O ATOM 1091 OE2 GLU A 70 10.984 -5.913 -37.440 1.00 24.53 O ATOM 0 H GLU A 70 8.230 -0.120 -38.199 1.00 42.12 H new ATOM 0 HA GLU A 70 9.867 -1.623 -38.261 1.00 40.31 H new ATOM 0 HB2 GLU A 70 7.877 -2.826 -36.933 1.00 73.11 H new ATOM 0 HB3 GLU A 70 7.922 -3.913 -38.307 1.00 73.11 H new ATOM 0 HG2 GLU A 70 10.531 -3.260 -36.998 1.00 3.45 H new ATOM 0 HG3 GLU A 70 9.418 -4.275 -36.103 1.00 3.45 H new TER 1098 GLU A 70