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 39 CYS SG : rot 161:sc= -21.6! USER MOD Set 1.2: A 49 CYS SG : rot 20:sc= -23.8! USER MOD Set 2.1: A 36 CYS SG : rot -25:sc= -23.9! USER MOD Set 2.2: A 62 CYS SG : rot -82:sc= -24.1! USER MOD Set 3.1: A 13 SER OG : rot -122:sc= 1.29 USER MOD Set 3.2: A 27 SER OG : rot 41:sc= -0.471 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0758 (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+ -171:sc= 0 (180deg=-0.0782) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.879 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= -0.178 X(o=-0.18,f=0.17) 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 X(o=0,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= -0.217 X(o=-0.22,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 153:sc= 0.302 (180deg=0.0867) USER MOD Single : A 65 ASN : amide:sc= -1.81 K(o=-1.8,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.384 12.252 -6.219 1.00 5.41 N ATOM 2 CA GLY A 1 6.227 13.123 -6.129 1.00 74.34 C ATOM 3 C GLY A 1 4.942 12.355 -5.890 1.00 55.14 C ATOM 4 O GLY A 1 4.884 11.135 -6.044 1.00 24.11 O ATOM 0 H1 GLY A 1 8.001 12.408 -5.396 1.00 5.41 H new ATOM 0 H2 GLY A 1 7.071 11.260 -6.235 1.00 5.41 H new ATOM 0 H3 GLY A 1 7.910 12.463 -7.091 1.00 5.41 H new ATOM 0 HA2 GLY A 1 6.376 13.838 -5.319 1.00 74.34 H new ATOM 0 HA3 GLY A 1 6.137 13.699 -7.050 1.00 74.34 H new ATOM 8 N PRO A 2 3.880 13.077 -5.503 1.00 54.45 N ATOM 9 CA PRO A 2 2.570 12.477 -5.233 1.00 71.13 C ATOM 10 C PRO A 2 1.889 11.975 -6.502 1.00 64.02 C ATOM 11 O PRO A 2 2.479 11.994 -7.582 1.00 22.40 O ATOM 12 CB PRO A 2 1.772 13.629 -4.618 1.00 55.14 C ATOM 13 CG PRO A 2 2.415 14.863 -5.151 1.00 24.44 C ATOM 14 CD PRO A 2 3.876 14.536 -5.300 1.00 75.25 C ATOM 0 HA PRO A 2 2.648 11.602 -4.588 1.00 71.13 H new ATOM 0 HB2 PRO A 2 0.720 13.577 -4.900 1.00 55.14 H new ATOM 0 HB3 PRO A 2 1.811 13.601 -3.529 1.00 55.14 H new ATOM 0 HG2 PRO A 2 1.979 15.148 -6.108 1.00 24.44 H new ATOM 0 HG3 PRO A 2 2.270 15.703 -4.472 1.00 24.44 H new ATOM 0 HD2 PRO A 2 4.321 15.061 -6.145 1.00 75.25 H new ATOM 0 HD3 PRO A 2 4.444 14.820 -4.414 1.00 75.25 H new ATOM 22 N GLU A 3 0.645 11.527 -6.364 1.00 3.52 N ATOM 23 CA GLU A 3 -0.114 11.020 -7.501 1.00 13.35 C ATOM 24 C GLU A 3 -0.274 12.095 -8.572 1.00 2.44 C ATOM 25 O GLU A 3 -1.060 13.030 -8.417 1.00 51.24 O ATOM 26 CB GLU A 3 -1.491 10.531 -7.045 1.00 65.50 C ATOM 27 CG GLU A 3 -1.514 9.064 -6.646 1.00 44.55 C ATOM 28 CD GLU A 3 -1.182 8.853 -5.182 1.00 34.21 C ATOM 29 OE1 GLU A 3 -1.853 9.467 -4.327 1.00 11.35 O ATOM 30 OE2 GLU A 3 -0.252 8.072 -4.892 1.00 30.23 O ATOM 0 H GLU A 3 0.142 11.505 -5.477 1.00 3.52 H new ATOM 0 HA GLU A 3 0.438 10.184 -7.930 1.00 13.35 H new ATOM 0 HB2 GLU A 3 -1.820 11.134 -6.199 1.00 65.50 H new ATOM 0 HB3 GLU A 3 -2.209 10.692 -7.849 1.00 65.50 H new ATOM 0 HG2 GLU A 3 -2.501 8.650 -6.854 1.00 44.55 H new ATOM 0 HG3 GLU A 3 -0.801 8.513 -7.260 1.00 44.55 H new ATOM 37 N LYS A 4 0.479 11.956 -9.658 1.00 13.22 N ATOM 38 CA LYS A 4 0.422 12.913 -10.756 1.00 41.52 C ATOM 39 C LYS A 4 0.489 12.201 -12.103 1.00 62.21 C ATOM 40 O LYS A 4 1.119 12.686 -13.042 1.00 3.41 O ATOM 41 CB LYS A 4 1.569 13.920 -10.642 1.00 43.02 C ATOM 42 CG LYS A 4 1.319 15.014 -9.619 1.00 52.42 C ATOM 43 CD LYS A 4 2.621 15.585 -9.083 1.00 30.24 C ATOM 44 CE LYS A 4 2.496 17.070 -8.779 1.00 52.03 C ATOM 45 NZ LYS A 4 3.335 17.895 -9.692 1.00 53.10 N ATOM 0 H LYS A 4 1.136 11.189 -9.801 1.00 13.22 H new ATOM 0 HA LYS A 4 -0.528 13.444 -10.693 1.00 41.52 H new ATOM 0 HB2 LYS A 4 2.483 13.388 -10.377 1.00 43.02 H new ATOM 0 HB3 LYS A 4 1.738 14.378 -11.617 1.00 43.02 H new ATOM 0 HG2 LYS A 4 0.731 15.811 -10.074 1.00 52.42 H new ATOM 0 HG3 LYS A 4 0.729 14.614 -8.794 1.00 52.42 H new ATOM 0 HD2 LYS A 4 2.908 15.050 -8.178 1.00 30.24 H new ATOM 0 HD3 LYS A 4 3.416 15.428 -9.812 1.00 30.24 H new ATOM 0 HE2 LYS A 4 1.453 17.373 -8.871 1.00 52.03 H new ATOM 0 HE3 LYS A 4 2.792 17.256 -7.747 1.00 52.03 H new ATOM 0 HZ1 LYS A 4 3.222 18.901 -9.453 1.00 53.10 H new ATOM 0 HZ2 LYS A 4 4.333 17.624 -9.586 1.00 53.10 H new ATOM 0 HZ3 LYS A 4 3.036 17.737 -10.676 1.00 53.10 H new ATOM 59 N MET A 5 -0.166 11.048 -12.190 1.00 64.45 N ATOM 60 CA MET A 5 -0.182 10.270 -13.424 1.00 41.01 C ATOM 61 C MET A 5 -1.547 9.626 -13.643 1.00 32.33 C ATOM 62 O MET A 5 -2.326 9.468 -12.703 1.00 40.11 O ATOM 63 CB MET A 5 0.903 9.192 -13.387 1.00 45.54 C ATOM 64 CG MET A 5 1.690 9.078 -14.683 1.00 3.11 C ATOM 65 SD MET A 5 2.124 7.375 -15.084 1.00 24.52 S ATOM 66 CE MET A 5 3.866 7.549 -15.462 1.00 44.12 C ATOM 0 H MET A 5 -0.692 10.632 -11.422 1.00 64.45 H new ATOM 0 HA MET A 5 0.018 10.948 -14.254 1.00 41.01 H new ATOM 0 HB2 MET A 5 1.592 9.409 -12.571 1.00 45.54 H new ATOM 0 HB3 MET A 5 0.441 8.230 -13.166 1.00 45.54 H new ATOM 0 HG2 MET A 5 1.103 9.501 -15.498 1.00 3.11 H new ATOM 0 HG3 MET A 5 2.601 9.672 -14.604 1.00 3.11 H new ATOM 0 HE1 MET A 5 4.279 6.577 -15.730 1.00 44.12 H new ATOM 0 HE2 MET A 5 3.990 8.238 -16.297 1.00 44.12 H new ATOM 0 HE3 MET A 5 4.391 7.938 -14.589 1.00 44.12 H new ATOM 76 N GLU A 6 -1.830 9.256 -14.888 1.00 2.10 N ATOM 77 CA GLU A 6 -3.102 8.630 -15.228 1.00 51.12 C ATOM 78 C GLU A 6 -2.904 7.164 -15.602 1.00 34.12 C ATOM 79 O GLU A 6 -1.775 6.681 -15.690 1.00 34.21 O ATOM 80 CB GLU A 6 -3.770 9.377 -16.385 1.00 31.14 C ATOM 81 CG GLU A 6 -3.047 9.217 -17.711 1.00 64.01 C ATOM 82 CD GLU A 6 -3.360 10.336 -18.685 1.00 75.24 C ATOM 83 OE1 GLU A 6 -4.351 10.210 -19.435 1.00 14.33 O ATOM 84 OE2 GLU A 6 -2.614 11.337 -18.698 1.00 14.31 O ATOM 0 H GLU A 6 -1.196 9.379 -15.677 1.00 2.10 H new ATOM 0 HA GLU A 6 -3.748 8.679 -14.351 1.00 51.12 H new ATOM 0 HB2 GLU A 6 -4.794 9.020 -16.494 1.00 31.14 H new ATOM 0 HB3 GLU A 6 -3.827 10.437 -16.137 1.00 31.14 H new ATOM 0 HG2 GLU A 6 -1.972 9.185 -17.533 1.00 64.01 H new ATOM 0 HG3 GLU A 6 -3.324 8.263 -18.159 1.00 64.01 H new ATOM 91 N VAL A 7 -4.011 6.460 -15.820 1.00 40.40 N ATOM 92 CA VAL A 7 -3.961 5.050 -16.185 1.00 24.44 C ATOM 93 C VAL A 7 -4.936 4.739 -17.314 1.00 33.30 C ATOM 94 O VAL A 7 -6.053 5.256 -17.345 1.00 40.42 O ATOM 95 CB VAL A 7 -4.283 4.147 -14.979 1.00 71.42 C ATOM 96 CG1 VAL A 7 -5.717 4.361 -14.519 1.00 50.34 C ATOM 97 CG2 VAL A 7 -4.039 2.686 -15.328 1.00 13.10 C ATOM 0 H VAL A 7 -4.953 6.844 -15.750 1.00 40.40 H new ATOM 0 HA VAL A 7 -2.945 4.846 -16.521 1.00 24.44 H new ATOM 0 HB VAL A 7 -3.619 4.417 -14.158 1.00 71.42 H new ATOM 0 HG11 VAL A 7 -5.926 3.715 -13.667 1.00 50.34 H new ATOM 0 HG12 VAL A 7 -5.854 5.402 -14.227 1.00 50.34 H new ATOM 0 HG13 VAL A 7 -6.400 4.120 -15.333 1.00 50.34 H new ATOM 0 HG21 VAL A 7 -4.271 2.062 -14.465 1.00 13.10 H new ATOM 0 HG22 VAL A 7 -4.677 2.400 -16.165 1.00 13.10 H new ATOM 0 HG23 VAL A 7 -2.994 2.548 -15.605 1.00 13.10 H new ATOM 107 N LYS A 8 -4.508 3.889 -18.241 1.00 40.13 N ATOM 108 CA LYS A 8 -5.343 3.506 -19.373 1.00 54.13 C ATOM 109 C LYS A 8 -4.845 2.209 -20.003 1.00 34.02 C ATOM 110 O LYS A 8 -3.722 1.776 -19.747 1.00 52.54 O ATOM 111 CB LYS A 8 -5.360 4.621 -20.422 1.00 24.22 C ATOM 112 CG LYS A 8 -6.751 5.146 -20.730 1.00 72.51 C ATOM 113 CD LYS A 8 -6.696 6.458 -21.494 1.00 62.45 C ATOM 114 CE LYS A 8 -8.086 6.934 -21.885 1.00 14.41 C ATOM 115 NZ LYS A 8 -8.689 6.079 -22.945 1.00 44.40 N ATOM 0 H LYS A 8 -3.587 3.452 -18.230 1.00 40.13 H new ATOM 0 HA LYS A 8 -6.357 3.345 -19.006 1.00 54.13 H new ATOM 0 HB2 LYS A 8 -4.739 5.446 -20.073 1.00 24.22 H new ATOM 0 HB3 LYS A 8 -4.909 4.249 -21.342 1.00 24.22 H new ATOM 0 HG2 LYS A 8 -7.299 4.407 -21.314 1.00 72.51 H new ATOM 0 HG3 LYS A 8 -7.301 5.288 -19.800 1.00 72.51 H new ATOM 0 HD2 LYS A 8 -6.209 7.217 -20.881 1.00 62.45 H new ATOM 0 HD3 LYS A 8 -6.088 6.333 -22.390 1.00 62.45 H new ATOM 0 HE2 LYS A 8 -8.731 6.932 -21.006 1.00 14.41 H new ATOM 0 HE3 LYS A 8 -8.031 7.964 -22.237 1.00 14.41 H new ATOM 0 HZ1 LYS A 8 -9.565 6.521 -23.291 1.00 44.40 H new ATOM 0 HZ2 LYS A 8 -8.018 5.978 -23.733 1.00 44.40 H new ATOM 0 HZ3 LYS A 8 -8.906 5.141 -22.552 1.00 44.40 H new ATOM 129 N GLU A 9 -5.688 1.595 -20.827 1.00 73.31 N ATOM 130 CA GLU A 9 -5.332 0.347 -21.493 1.00 1.41 C ATOM 131 C GLU A 9 -6.305 0.039 -22.627 1.00 71.40 C ATOM 132 O GLU A 9 -7.095 0.892 -23.030 1.00 55.43 O ATOM 133 CB GLU A 9 -5.319 -0.807 -20.489 1.00 21.12 C ATOM 134 CG GLU A 9 -6.705 -1.313 -20.125 1.00 2.21 C ATOM 135 CD GLU A 9 -6.900 -1.454 -18.628 1.00 23.32 C ATOM 136 OE1 GLU A 9 -6.388 -2.439 -18.054 1.00 0.40 O ATOM 137 OE2 GLU A 9 -7.564 -0.582 -18.030 1.00 45.32 O ATOM 0 H GLU A 9 -6.621 1.941 -21.049 1.00 73.31 H new ATOM 0 HA GLU A 9 -4.334 0.462 -21.915 1.00 1.41 H new ATOM 0 HB2 GLU A 9 -4.738 -1.631 -20.903 1.00 21.12 H new ATOM 0 HB3 GLU A 9 -4.810 -0.482 -19.581 1.00 21.12 H new ATOM 0 HG2 GLU A 9 -7.454 -0.628 -20.522 1.00 2.21 H new ATOM 0 HG3 GLU A 9 -6.872 -2.279 -20.602 1.00 2.21 H new ATOM 144 N ILE A 10 -6.241 -1.187 -23.137 1.00 4.32 N ATOM 145 CA ILE A 10 -7.116 -1.608 -24.224 1.00 23.55 C ATOM 146 C ILE A 10 -6.901 -0.751 -25.466 1.00 74.12 C ATOM 147 O ILE A 10 -7.704 0.130 -25.771 1.00 71.13 O ATOM 148 CB ILE A 10 -8.598 -1.536 -23.813 1.00 13.11 C ATOM 149 CG1 ILE A 10 -8.853 -2.412 -22.585 1.00 34.50 C ATOM 150 CG2 ILE A 10 -9.490 -1.963 -24.969 1.00 43.35 C ATOM 151 CD1 ILE A 10 -9.582 -1.694 -21.471 1.00 30.32 C ATOM 0 H ILE A 10 -5.593 -1.905 -22.815 1.00 4.32 H new ATOM 0 HA ILE A 10 -6.861 -2.643 -24.452 1.00 23.55 H new ATOM 0 HB ILE A 10 -8.838 -0.504 -23.556 1.00 13.11 H new ATOM 0 HG12 ILE A 10 -9.434 -3.284 -22.885 1.00 34.50 H new ATOM 0 HG13 ILE A 10 -7.899 -2.779 -22.206 1.00 34.50 H new ATOM 0 HG21 ILE A 10 -10.535 -1.907 -24.663 1.00 43.35 H new ATOM 0 HG22 ILE A 10 -9.325 -1.301 -25.819 1.00 43.35 H new ATOM 0 HG23 ILE A 10 -9.250 -2.987 -25.254 1.00 43.35 H new ATOM 0 HD11 ILE A 10 -9.728 -2.376 -20.633 1.00 30.32 H new ATOM 0 HD12 ILE A 10 -8.993 -0.838 -21.143 1.00 30.32 H new ATOM 0 HD13 ILE A 10 -10.551 -1.350 -21.833 1.00 30.32 H new ATOM 163 N GLY A 11 -5.813 -1.017 -26.182 1.00 3.13 N ATOM 164 CA GLY A 11 -5.513 -0.262 -27.385 1.00 21.45 C ATOM 165 C GLY A 11 -5.608 -1.109 -28.639 1.00 2.45 C ATOM 166 O GLY A 11 -6.605 -1.053 -29.359 1.00 24.11 O ATOM 0 H GLY A 11 -5.134 -1.742 -25.951 1.00 3.13 H new ATOM 0 HA2 GLY A 11 -6.203 0.578 -27.465 1.00 21.45 H new ATOM 0 HA3 GLY A 11 -4.509 0.156 -27.307 1.00 21.45 H new ATOM 170 N ARG A 12 -4.568 -1.893 -28.901 1.00 44.14 N ATOM 171 CA ARG A 12 -4.537 -2.752 -30.079 1.00 22.02 C ATOM 172 C ARG A 12 -4.844 -1.954 -31.342 1.00 52.25 C ATOM 173 O ARG A 12 -5.835 -2.212 -32.026 1.00 64.12 O ATOM 174 CB ARG A 12 -5.541 -3.896 -29.928 1.00 54.13 C ATOM 175 CG ARG A 12 -5.049 -5.026 -29.039 1.00 10.22 C ATOM 176 CD ARG A 12 -5.618 -4.916 -27.633 1.00 22.22 C ATOM 177 NE ARG A 12 -4.568 -4.779 -26.627 1.00 0.22 N ATOM 178 CZ ARG A 12 -3.718 -5.750 -26.315 1.00 23.54 C ATOM 179 NH1 ARG A 12 -3.793 -6.924 -26.927 1.00 42.13 N ATOM 180 NH2 ARG A 12 -2.789 -5.549 -25.388 1.00 74.11 N ATOM 0 H ARG A 12 -3.736 -1.951 -28.314 1.00 44.14 H new ATOM 0 HA ARG A 12 -3.533 -3.168 -30.169 1.00 22.02 H new ATOM 0 HB2 ARG A 12 -6.470 -3.501 -29.518 1.00 54.13 H new ATOM 0 HB3 ARG A 12 -5.773 -4.296 -30.915 1.00 54.13 H new ATOM 0 HG2 ARG A 12 -5.334 -5.984 -29.474 1.00 10.22 H new ATOM 0 HG3 ARG A 12 -3.960 -5.008 -28.995 1.00 10.22 H new ATOM 0 HD2 ARG A 12 -6.286 -4.057 -27.579 1.00 22.22 H new ATOM 0 HD3 ARG A 12 -6.217 -5.800 -27.414 1.00 22.22 H new ATOM 0 HE ARG A 12 -4.483 -3.888 -26.137 1.00 0.22 H new ATOM 0 HH11 ARG A 12 -4.505 -7.083 -27.640 1.00 42.13 H new ATOM 0 HH12 ARG A 12 -3.138 -7.668 -26.685 1.00 42.13 H new ATOM 0 HH21 ARG A 12 -2.728 -4.648 -24.914 1.00 74.11 H new ATOM 0 HH22 ARG A 12 -2.137 -6.296 -25.149 1.00 74.11 H new ATOM 194 N SER A 13 -3.989 -0.983 -31.646 1.00 5.02 N ATOM 195 CA SER A 13 -4.171 -0.144 -32.824 1.00 62.04 C ATOM 196 C SER A 13 -2.877 -0.047 -33.628 1.00 34.42 C ATOM 197 O SER A 13 -2.799 0.685 -34.614 1.00 14.42 O ATOM 198 CB SER A 13 -4.635 1.255 -32.414 1.00 73.30 C ATOM 199 OG SER A 13 -5.130 1.976 -33.529 1.00 64.34 O ATOM 0 H SER A 13 -3.163 -0.758 -31.092 1.00 5.02 H new ATOM 0 HA SER A 13 -4.935 -0.603 -33.451 1.00 62.04 H new ATOM 0 HB2 SER A 13 -5.413 1.175 -31.654 1.00 73.30 H new ATOM 0 HB3 SER A 13 -3.805 1.800 -31.964 1.00 73.30 H new ATOM 0 HG SER A 13 -4.617 2.804 -33.637 1.00 64.34 H new ATOM 205 N SER A 14 -1.864 -0.793 -33.198 1.00 52.21 N ATOM 206 CA SER A 14 -0.572 -0.789 -33.874 1.00 71.20 C ATOM 207 C SER A 14 -0.004 0.625 -33.953 1.00 30.44 C ATOM 208 O SER A 14 0.637 0.995 -34.936 1.00 41.31 O ATOM 209 CB SER A 14 -0.707 -1.376 -35.281 1.00 1.25 C ATOM 210 OG SER A 14 -0.680 -2.792 -35.247 1.00 64.22 O ATOM 0 H SER A 14 -1.913 -1.407 -32.385 1.00 52.21 H new ATOM 0 HA SER A 14 0.115 -1.406 -33.295 1.00 71.20 H new ATOM 0 HB2 SER A 14 -1.640 -1.038 -35.732 1.00 1.25 H new ATOM 0 HB3 SER A 14 0.103 -1.009 -35.911 1.00 1.25 H new ATOM 0 HG SER A 14 -0.770 -3.143 -36.158 1.00 64.22 H new ATOM 216 N LYS A 15 -0.244 1.411 -32.909 1.00 32.34 N ATOM 217 CA LYS A 15 0.243 2.784 -32.856 1.00 62.11 C ATOM 218 C LYS A 15 1.764 2.817 -32.740 1.00 53.53 C ATOM 219 O LYS A 15 2.364 1.966 -32.083 1.00 43.54 O ATOM 220 CB LYS A 15 -0.385 3.525 -31.674 1.00 14.01 C ATOM 221 CG LYS A 15 0.235 3.170 -30.334 1.00 3.11 C ATOM 222 CD LYS A 15 -0.282 1.839 -29.815 1.00 24.20 C ATOM 223 CE LYS A 15 0.746 0.733 -29.997 1.00 24.42 C ATOM 224 NZ LYS A 15 0.695 -0.260 -28.888 1.00 1.12 N ATOM 0 H LYS A 15 -0.774 1.120 -32.087 1.00 32.34 H new ATOM 0 HA LYS A 15 -0.045 3.281 -33.782 1.00 62.11 H new ATOM 0 HB2 LYS A 15 -0.288 4.598 -31.836 1.00 14.01 H new ATOM 0 HB3 LYS A 15 -1.451 3.302 -31.642 1.00 14.01 H new ATOM 0 HG2 LYS A 15 1.319 3.126 -30.434 1.00 3.11 H new ATOM 0 HG3 LYS A 15 0.013 3.954 -29.610 1.00 3.11 H new ATOM 0 HD2 LYS A 15 -0.535 1.932 -28.759 1.00 24.20 H new ATOM 0 HD3 LYS A 15 -1.200 1.574 -30.340 1.00 24.20 H new ATOM 0 HE2 LYS A 15 0.570 0.227 -30.946 1.00 24.42 H new ATOM 0 HE3 LYS A 15 1.744 1.169 -30.048 1.00 24.42 H new ATOM 0 HZ1 LYS A 15 1.411 -0.997 -29.049 1.00 1.12 H new ATOM 0 HZ2 LYS A 15 0.888 0.218 -27.985 1.00 1.12 H new ATOM 0 HZ3 LYS A 15 -0.249 -0.695 -28.855 1.00 1.12 H new ATOM 238 N ILE A 16 2.380 3.805 -33.381 1.00 14.54 N ATOM 239 CA ILE A 16 3.830 3.950 -33.347 1.00 14.45 C ATOM 240 C ILE A 16 4.261 5.297 -33.916 1.00 50.45 C ATOM 241 O ILE A 16 3.455 6.022 -34.501 1.00 62.13 O ATOM 242 CB ILE A 16 4.526 2.825 -34.134 1.00 45.43 C ATOM 243 CG1 ILE A 16 3.580 2.250 -35.190 1.00 33.14 C ATOM 244 CG2 ILE A 16 5.002 1.732 -33.189 1.00 15.43 C ATOM 245 CD1 ILE A 16 4.263 1.331 -36.178 1.00 21.34 C ATOM 0 H ILE A 16 1.898 4.517 -33.930 1.00 14.54 H new ATOM 0 HA ILE A 16 4.130 3.889 -32.301 1.00 14.45 H new ATOM 0 HB ILE A 16 5.396 3.242 -34.642 1.00 45.43 H new ATOM 0 HG12 ILE A 16 2.780 1.703 -34.690 1.00 33.14 H new ATOM 0 HG13 ILE A 16 3.113 3.071 -35.733 1.00 33.14 H new ATOM 0 HG21 ILE A 16 5.492 0.944 -33.761 1.00 15.43 H new ATOM 0 HG22 ILE A 16 5.708 2.152 -32.472 1.00 15.43 H new ATOM 0 HG23 ILE A 16 4.148 1.315 -32.655 1.00 15.43 H new ATOM 0 HD11 ILE A 16 3.532 0.961 -36.896 1.00 21.34 H new ATOM 0 HD12 ILE A 16 5.044 1.879 -36.705 1.00 21.34 H new ATOM 0 HD13 ILE A 16 4.706 0.489 -35.646 1.00 21.34 H new ATOM 257 N ILE A 17 5.537 5.625 -33.743 1.00 52.54 N ATOM 258 CA ILE A 17 6.076 6.884 -34.243 1.00 50.13 C ATOM 259 C ILE A 17 7.090 6.644 -35.356 1.00 44.23 C ATOM 260 O ILE A 17 7.581 5.528 -35.535 1.00 14.43 O ATOM 261 CB ILE A 17 6.747 7.695 -33.119 1.00 14.41 C ATOM 262 CG1 ILE A 17 7.889 6.893 -32.493 1.00 32.32 C ATOM 263 CG2 ILE A 17 5.723 8.083 -32.062 1.00 72.24 C ATOM 264 CD1 ILE A 17 7.451 6.019 -31.338 1.00 62.11 C ATOM 0 H ILE A 17 6.217 5.037 -33.261 1.00 52.54 H new ATOM 0 HA ILE A 17 5.234 7.453 -34.638 1.00 50.13 H new ATOM 0 HB ILE A 17 7.162 8.607 -33.548 1.00 14.41 H new ATOM 0 HG12 ILE A 17 8.345 6.267 -33.260 1.00 32.32 H new ATOM 0 HG13 ILE A 17 8.658 7.582 -32.145 1.00 32.32 H new ATOM 0 HG21 ILE A 17 6.212 8.656 -31.274 1.00 72.24 H new ATOM 0 HG22 ILE A 17 4.941 8.689 -32.519 1.00 72.24 H new ATOM 0 HG23 ILE A 17 5.282 7.182 -31.635 1.00 72.24 H new ATOM 0 HD11 ILE A 17 8.312 5.480 -30.943 1.00 62.11 H new ATOM 0 HD12 ILE A 17 7.022 6.642 -30.553 1.00 62.11 H new ATOM 0 HD13 ILE A 17 6.704 5.305 -31.685 1.00 62.11 H new ATOM 276 N LEU A 18 7.403 7.698 -36.102 1.00 14.53 N ATOM 277 CA LEU A 18 8.361 7.604 -37.197 1.00 61.14 C ATOM 278 C LEU A 18 9.371 8.745 -37.137 1.00 42.33 C ATOM 279 O LEU A 18 9.055 9.902 -37.416 1.00 40.11 O ATOM 280 CB LEU A 18 7.632 7.623 -38.542 1.00 41.10 C ATOM 281 CG LEU A 18 8.519 7.596 -39.787 1.00 64.11 C ATOM 282 CD1 LEU A 18 8.944 9.005 -40.171 1.00 32.20 C ATOM 283 CD2 LEU A 18 9.738 6.715 -39.554 1.00 71.54 C ATOM 0 H LEU A 18 7.007 8.628 -35.968 1.00 14.53 H new ATOM 0 HA LEU A 18 8.899 6.662 -37.096 1.00 61.14 H new ATOM 0 HB2 LEU A 18 6.960 6.766 -38.580 1.00 41.10 H new ATOM 0 HB3 LEU A 18 7.010 8.517 -38.583 1.00 41.10 H new ATOM 0 HG LEU A 18 7.943 7.175 -40.611 1.00 64.11 H new ATOM 0 HD11 LEU A 18 9.575 8.965 -41.059 1.00 32.20 H new ATOM 0 HD12 LEU A 18 8.060 9.607 -40.380 1.00 32.20 H new ATOM 0 HD13 LEU A 18 9.502 9.453 -39.349 1.00 32.20 H new ATOM 0 HD21 LEU A 18 10.358 6.707 -40.450 1.00 71.54 H new ATOM 0 HD22 LEU A 18 10.315 7.107 -38.717 1.00 71.54 H new ATOM 0 HD23 LEU A 18 9.415 5.699 -39.328 1.00 71.54 H new ATOM 295 N PRO A 19 10.617 8.414 -36.767 1.00 1.41 N ATOM 296 CA PRO A 19 11.700 9.397 -36.664 1.00 51.24 C ATOM 297 C PRO A 19 12.139 9.920 -38.028 1.00 1.22 C ATOM 298 O PRO A 19 12.080 9.203 -39.026 1.00 41.44 O ATOM 299 CB PRO A 19 12.833 8.609 -36.004 1.00 24.43 C ATOM 300 CG PRO A 19 12.561 7.187 -36.356 1.00 65.04 C ATOM 301 CD PRO A 19 11.065 7.055 -36.420 1.00 51.11 C ATOM 0 HA PRO A 19 11.396 10.282 -36.104 1.00 51.24 H new ATOM 0 HB2 PRO A 19 13.806 8.929 -36.375 1.00 24.43 H new ATOM 0 HB3 PRO A 19 12.840 8.755 -34.924 1.00 24.43 H new ATOM 0 HG2 PRO A 19 13.017 6.928 -37.312 1.00 65.04 H new ATOM 0 HG3 PRO A 19 12.981 6.513 -35.609 1.00 65.04 H new ATOM 0 HD2 PRO A 19 10.758 6.327 -37.171 1.00 51.11 H new ATOM 0 HD3 PRO A 19 10.650 6.726 -35.468 1.00 51.11 H new ATOM 309 N ALA A 20 12.580 11.173 -38.062 1.00 12.53 N ATOM 310 CA ALA A 20 13.031 11.791 -39.302 1.00 44.14 C ATOM 311 C ALA A 20 13.507 13.220 -39.063 1.00 10.00 C ATOM 312 O ALA A 20 14.708 13.490 -39.039 1.00 63.31 O ATOM 313 CB ALA A 20 11.917 11.770 -40.338 1.00 42.33 C ATOM 0 H ALA A 20 12.634 11.780 -37.244 1.00 12.53 H new ATOM 0 HA ALA A 20 13.875 11.214 -39.680 1.00 44.14 H new ATOM 0 HB1 ALA A 20 12.268 12.235 -41.259 1.00 42.33 H new ATOM 0 HB2 ALA A 20 11.627 10.739 -40.540 1.00 42.33 H new ATOM 0 HB3 ALA A 20 11.057 12.321 -39.958 1.00 42.33 H new ATOM 319 N CYS A 21 12.558 14.133 -38.887 1.00 34.13 N ATOM 320 CA CYS A 21 12.879 15.535 -38.650 1.00 51.22 C ATOM 321 C CYS A 21 12.217 16.036 -37.370 1.00 2.42 C ATOM 322 O CYS A 21 12.792 16.839 -36.635 1.00 62.11 O ATOM 323 CB CYS A 21 12.431 16.390 -39.837 1.00 74.13 C ATOM 324 SG CYS A 21 12.616 18.183 -39.574 1.00 40.05 S ATOM 0 H CYS A 21 11.559 13.927 -38.904 1.00 34.13 H new ATOM 0 HA CYS A 21 13.960 15.620 -38.536 1.00 51.22 H new ATOM 0 HB2 CYS A 21 13.006 16.101 -40.717 1.00 74.13 H new ATOM 0 HB3 CYS A 21 11.385 16.171 -40.054 1.00 74.13 H new ATOM 329 N MET A 22 11.005 15.557 -37.110 1.00 24.33 N ATOM 330 CA MET A 22 10.266 15.955 -35.917 1.00 70.25 C ATOM 331 C MET A 22 9.621 14.745 -35.249 1.00 13.12 C ATOM 332 O MET A 22 9.918 13.601 -35.593 1.00 73.25 O ATOM 333 CB MET A 22 9.194 16.986 -36.277 1.00 22.25 C ATOM 334 CG MET A 22 9.146 18.170 -35.324 1.00 64.51 C ATOM 335 SD MET A 22 10.647 19.168 -35.382 1.00 15.35 S ATOM 336 CE MET A 22 11.118 19.171 -33.653 1.00 54.45 C ATOM 0 H MET A 22 10.514 14.893 -37.709 1.00 24.33 H new ATOM 0 HA MET A 22 10.970 16.403 -35.215 1.00 70.25 H new ATOM 0 HB2 MET A 22 9.377 17.351 -37.288 1.00 22.25 H new ATOM 0 HB3 MET A 22 8.220 16.497 -36.286 1.00 22.25 H new ATOM 0 HG2 MET A 22 8.288 18.796 -35.571 1.00 64.51 H new ATOM 0 HG3 MET A 22 8.994 17.807 -34.307 1.00 64.51 H new ATOM 0 HE1 MET A 22 12.033 19.750 -33.526 1.00 54.45 H new ATOM 0 HE2 MET A 22 10.320 19.618 -33.059 1.00 54.45 H new ATOM 0 HE3 MET A 22 11.288 18.147 -33.320 1.00 54.45 H new ATOM 346 N HIS A 23 8.737 15.006 -34.291 1.00 33.53 N ATOM 347 CA HIS A 23 8.049 13.937 -33.574 1.00 3.31 C ATOM 348 C HIS A 23 6.663 13.692 -34.163 1.00 2.53 C ATOM 349 O HIS A 23 5.762 14.518 -34.016 1.00 23.31 O ATOM 350 CB HIS A 23 7.932 14.284 -32.089 1.00 74.04 C ATOM 351 CG HIS A 23 9.244 14.280 -31.368 1.00 31.14 C ATOM 352 ND1 HIS A 23 9.721 13.185 -30.679 1.00 33.42 N ATOM 353 CD2 HIS A 23 10.182 15.246 -31.231 1.00 64.24 C ATOM 354 CE1 HIS A 23 10.895 13.477 -30.149 1.00 13.54 C ATOM 355 NE2 HIS A 23 11.198 14.722 -30.470 1.00 11.34 N ATOM 0 H HIS A 23 8.480 15.947 -33.993 1.00 33.53 H new ATOM 0 HA HIS A 23 8.636 13.025 -33.681 1.00 3.31 H new ATOM 0 HB2 HIS A 23 7.475 15.269 -31.989 1.00 74.04 H new ATOM 0 HB3 HIS A 23 7.261 13.571 -31.610 1.00 74.04 H new ATOM 0 HD2 HIS A 23 10.139 16.243 -31.643 1.00 64.24 H new ATOM 0 HE1 HIS A 23 11.503 12.811 -29.555 1.00 13.54 H new ATOM 0 HE2 HIS A 23 12.049 15.214 -30.197 1.00 11.34 H new ATOM 363 N GLU A 24 6.501 12.554 -34.829 1.00 62.24 N ATOM 364 CA GLU A 24 5.225 12.202 -35.441 1.00 41.52 C ATOM 365 C GLU A 24 4.721 10.861 -34.917 1.00 24.20 C ATOM 366 O GLU A 24 5.472 10.097 -34.309 1.00 31.22 O ATOM 367 CB GLU A 24 5.362 12.148 -36.964 1.00 42.42 C ATOM 368 CG GLU A 24 6.523 11.292 -37.441 1.00 31.41 C ATOM 369 CD GLU A 24 7.475 12.050 -38.346 1.00 33.33 C ATOM 370 OE1 GLU A 24 8.428 12.664 -37.823 1.00 40.04 O ATOM 371 OE2 GLU A 24 7.266 12.028 -39.577 1.00 14.01 O ATOM 0 H GLU A 24 7.237 11.860 -34.959 1.00 62.24 H new ATOM 0 HA GLU A 24 4.500 12.971 -35.176 1.00 41.52 H new ATOM 0 HB2 GLU A 24 4.437 11.760 -37.390 1.00 42.42 H new ATOM 0 HB3 GLU A 24 5.488 13.161 -37.345 1.00 42.42 H new ATOM 0 HG2 GLU A 24 7.071 10.916 -36.577 1.00 31.41 H new ATOM 0 HG3 GLU A 24 6.134 10.424 -37.974 1.00 31.41 H new ATOM 378 N THR A 25 3.444 10.580 -35.157 1.00 2.14 N ATOM 379 CA THR A 25 2.839 9.333 -34.708 1.00 74.30 C ATOM 380 C THR A 25 1.698 8.913 -35.629 1.00 25.24 C ATOM 381 O THR A 25 1.168 9.725 -36.387 1.00 14.13 O ATOM 382 CB THR A 25 2.303 9.454 -33.269 1.00 21.12 C ATOM 383 OG1 THR A 25 3.216 10.214 -32.469 1.00 14.11 O ATOM 384 CG2 THR A 25 2.101 8.079 -32.649 1.00 42.31 C ATOM 0 H THR A 25 2.809 11.200 -35.660 1.00 2.14 H new ATOM 0 HA THR A 25 3.622 8.575 -34.734 1.00 74.30 H new ATOM 0 HB THR A 25 1.340 9.964 -33.305 1.00 21.12 H new ATOM 0 HG1 THR A 25 2.868 10.288 -31.556 1.00 14.11 H new ATOM 0 HG21 THR A 25 1.722 8.190 -31.633 1.00 42.31 H new ATOM 0 HG22 THR A 25 1.384 7.513 -33.244 1.00 42.31 H new ATOM 0 HG23 THR A 25 3.052 7.547 -32.625 1.00 42.31 H new ATOM 392 N CYS A 26 1.325 7.639 -35.558 1.00 3.43 N ATOM 393 CA CYS A 26 0.247 7.111 -36.385 1.00 23.34 C ATOM 394 C CYS A 26 -0.381 5.880 -35.738 1.00 21.24 C ATOM 395 O CYS A 26 0.302 5.094 -35.082 1.00 23.44 O ATOM 396 CB CYS A 26 0.772 6.757 -37.778 1.00 33.34 C ATOM 397 SG CYS A 26 -0.495 6.814 -39.086 1.00 0.14 S ATOM 0 H CYS A 26 1.754 6.954 -34.936 1.00 3.43 H new ATOM 0 HA CYS A 26 -0.518 7.882 -36.477 1.00 23.34 H new ATOM 0 HB2 CYS A 26 1.577 7.444 -38.037 1.00 33.34 H new ATOM 0 HB3 CYS A 26 1.204 5.757 -37.749 1.00 33.34 H new ATOM 402 N SER A 27 -1.687 5.720 -35.928 1.00 23.44 N ATOM 403 CA SER A 27 -2.408 4.587 -35.360 1.00 75.20 C ATOM 404 C SER A 27 -3.780 4.436 -36.010 1.00 73.23 C ATOM 405 O SER A 27 -4.570 5.378 -36.046 1.00 41.53 O ATOM 406 CB SER A 27 -2.565 4.760 -33.848 1.00 45.20 C ATOM 407 OG SER A 27 -3.045 3.571 -33.245 1.00 65.01 O ATOM 0 H SER A 27 -2.267 6.360 -36.470 1.00 23.44 H new ATOM 0 HA SER A 27 -1.829 3.685 -35.557 1.00 75.20 H new ATOM 0 HB2 SER A 27 -1.605 5.032 -33.409 1.00 45.20 H new ATOM 0 HB3 SER A 27 -3.254 5.579 -33.642 1.00 45.20 H new ATOM 0 HG SER A 27 -2.601 2.797 -33.650 1.00 65.01 H new ATOM 413 N GLY A 28 -4.057 3.241 -36.524 1.00 24.20 N ATOM 414 CA GLY A 28 -5.333 2.987 -37.167 1.00 22.35 C ATOM 415 C GLY A 28 -5.809 1.562 -36.966 1.00 34.22 C ATOM 416 O GLY A 28 -5.178 0.617 -37.436 1.00 72.53 O ATOM 0 H GLY A 28 -3.420 2.444 -36.506 1.00 24.20 H new ATOM 0 HA2 GLY A 28 -6.079 3.676 -36.771 1.00 22.35 H new ATOM 0 HA3 GLY A 28 -5.246 3.191 -38.234 1.00 22.35 H new ATOM 420 N GLY A 29 -6.927 1.407 -36.263 1.00 33.44 N ATOM 421 CA GLY A 29 -7.468 0.084 -36.011 1.00 61.52 C ATOM 422 C GLY A 29 -8.472 0.074 -34.876 1.00 74.31 C ATOM 423 O GLY A 29 -9.389 -0.748 -34.856 1.00 55.51 O ATOM 0 H GLY A 29 -7.468 2.174 -35.864 1.00 33.44 H new ATOM 0 HA2 GLY A 29 -7.945 -0.288 -36.917 1.00 61.52 H new ATOM 0 HA3 GLY A 29 -6.652 -0.600 -35.776 1.00 61.52 H new ATOM 427 N PHE A 30 -8.299 0.988 -33.927 1.00 73.40 N ATOM 428 CA PHE A 30 -9.197 1.079 -32.781 1.00 42.43 C ATOM 429 C PHE A 30 -9.045 2.425 -32.078 1.00 54.23 C ATOM 430 O PHE A 30 -10.028 3.021 -31.637 1.00 1.02 O ATOM 431 CB PHE A 30 -8.918 -0.058 -31.796 1.00 12.40 C ATOM 432 CG PHE A 30 -9.793 -0.021 -30.575 1.00 42.15 C ATOM 433 CD1 PHE A 30 -11.104 -0.464 -30.633 1.00 54.24 C ATOM 434 CD2 PHE A 30 -9.303 0.456 -29.370 1.00 73.12 C ATOM 435 CE1 PHE A 30 -11.911 -0.430 -29.512 1.00 34.31 C ATOM 436 CE2 PHE A 30 -10.106 0.491 -28.245 1.00 45.42 C ATOM 437 CZ PHE A 30 -11.411 0.047 -28.316 1.00 71.31 C ATOM 0 H PHE A 30 -7.546 1.676 -33.929 1.00 73.40 H new ATOM 0 HA PHE A 30 -10.221 0.992 -33.145 1.00 42.43 H new ATOM 0 HB2 PHE A 30 -9.058 -1.012 -32.305 1.00 12.40 H new ATOM 0 HB3 PHE A 30 -7.874 -0.012 -31.487 1.00 12.40 H new ATOM 0 HD1 PHE A 30 -11.500 -0.840 -31.565 1.00 54.24 H new ATOM 0 HD2 PHE A 30 -8.283 0.804 -29.309 1.00 73.12 H new ATOM 0 HE1 PHE A 30 -12.932 -0.776 -29.571 1.00 34.31 H new ATOM 0 HE2 PHE A 30 -9.713 0.865 -27.312 1.00 45.42 H new ATOM 0 HZ PHE A 30 -12.040 0.072 -27.438 1.00 71.31 H new ATOM 447 N SER A 31 -7.807 2.898 -31.978 1.00 31.41 N ATOM 448 CA SER A 31 -7.525 4.171 -31.325 1.00 32.41 C ATOM 449 C SER A 31 -7.699 5.331 -32.300 1.00 4.43 C ATOM 450 O SER A 31 -8.321 6.343 -31.974 1.00 53.14 O ATOM 451 CB SER A 31 -6.104 4.174 -30.758 1.00 71.32 C ATOM 452 OG SER A 31 -6.002 3.318 -29.633 1.00 41.21 O ATOM 0 H SER A 31 -6.983 2.419 -32.341 1.00 31.41 H new ATOM 0 HA SER A 31 -8.234 4.297 -30.507 1.00 32.41 H new ATOM 0 HB2 SER A 31 -5.401 3.854 -31.527 1.00 71.32 H new ATOM 0 HB3 SER A 31 -5.825 5.188 -30.474 1.00 71.32 H new ATOM 0 HG SER A 31 -5.084 3.336 -29.290 1.00 41.21 H new ATOM 458 N LEU A 32 -7.144 5.178 -33.497 1.00 25.02 N ATOM 459 CA LEU A 32 -7.236 6.213 -34.521 1.00 63.42 C ATOM 460 C LEU A 32 -6.603 7.514 -34.039 1.00 63.03 C ATOM 461 O LEU A 32 -7.215 8.275 -33.290 1.00 11.01 O ATOM 462 CB LEU A 32 -8.698 6.453 -34.901 1.00 1.34 C ATOM 463 CG LEU A 32 -8.940 7.425 -36.056 1.00 72.23 C ATOM 464 CD1 LEU A 32 -8.865 8.863 -35.569 1.00 13.41 C ATOM 465 CD2 LEU A 32 -7.936 7.185 -37.174 1.00 4.31 C ATOM 0 H LEU A 32 -6.626 4.347 -33.783 1.00 25.02 H new ATOM 0 HA LEU A 32 -6.690 5.870 -35.400 1.00 63.42 H new ATOM 0 HB2 LEU A 32 -9.148 5.494 -35.159 1.00 1.34 H new ATOM 0 HB3 LEU A 32 -9.224 6.826 -34.022 1.00 1.34 H new ATOM 0 HG LEU A 32 -9.941 7.249 -36.450 1.00 72.23 H new ATOM 0 HD11 LEU A 32 -9.040 9.540 -36.405 1.00 13.41 H new ATOM 0 HD12 LEU A 32 -9.624 9.028 -34.804 1.00 13.41 H new ATOM 0 HD13 LEU A 32 -7.878 9.054 -35.148 1.00 13.41 H new ATOM 0 HD21 LEU A 32 -8.123 7.886 -37.988 1.00 4.31 H new ATOM 0 HD22 LEU A 32 -6.925 7.333 -36.793 1.00 4.31 H new ATOM 0 HD23 LEU A 32 -8.039 6.165 -37.543 1.00 4.31 H new ATOM 477 N LYS A 33 -5.373 7.765 -34.476 1.00 31.10 N ATOM 478 CA LYS A 33 -4.657 8.976 -34.093 1.00 21.20 C ATOM 479 C LYS A 33 -3.324 9.075 -34.828 1.00 21.12 C ATOM 480 O LYS A 33 -2.828 8.088 -35.369 1.00 21.54 O ATOM 481 CB LYS A 33 -4.421 8.997 -32.581 1.00 63.31 C ATOM 482 CG LYS A 33 -3.612 7.815 -32.075 1.00 60.44 C ATOM 483 CD LYS A 33 -3.098 8.053 -30.665 1.00 70.15 C ATOM 484 CE LYS A 33 -1.579 7.991 -30.608 1.00 14.21 C ATOM 485 NZ LYS A 33 -1.067 8.218 -29.228 1.00 41.43 N ATOM 0 H LYS A 33 -4.851 7.145 -35.096 1.00 31.10 H new ATOM 0 HA LYS A 33 -5.270 9.834 -34.371 1.00 21.20 H new ATOM 0 HB2 LYS A 33 -3.906 9.920 -32.315 1.00 63.31 H new ATOM 0 HB3 LYS A 33 -5.384 9.012 -32.072 1.00 63.31 H new ATOM 0 HG2 LYS A 33 -4.229 6.917 -32.091 1.00 60.44 H new ATOM 0 HG3 LYS A 33 -2.771 7.636 -32.744 1.00 60.44 H new ATOM 0 HD2 LYS A 33 -3.437 9.027 -30.313 1.00 70.15 H new ATOM 0 HD3 LYS A 33 -3.519 7.306 -29.992 1.00 70.15 H new ATOM 0 HE2 LYS A 33 -1.241 7.018 -30.965 1.00 14.21 H new ATOM 0 HE3 LYS A 33 -1.159 8.740 -31.279 1.00 14.21 H new ATOM 0 HZ1 LYS A 33 -0.028 8.168 -29.231 1.00 41.43 H new ATOM 0 HZ2 LYS A 33 -1.368 9.157 -28.896 1.00 41.43 H new ATOM 0 HZ3 LYS A 33 -1.447 7.488 -28.592 1.00 41.43 H new ATOM 499 N ASN A 34 -2.748 10.273 -34.842 1.00 35.15 N ATOM 500 CA ASN A 34 -1.472 10.500 -35.509 1.00 40.12 C ATOM 501 C ASN A 34 -0.913 11.877 -35.161 1.00 74.53 C ATOM 502 O ASN A 34 -1.655 12.856 -35.079 1.00 42.04 O ATOM 503 CB ASN A 34 -1.636 10.372 -37.025 1.00 42.11 C ATOM 504 CG ASN A 34 -2.902 11.038 -37.528 1.00 40.00 C ATOM 505 OD1 ASN A 34 -3.232 12.153 -37.125 1.00 15.24 O ATOM 506 ND2 ASN A 34 -3.618 10.355 -38.414 1.00 3.02 N ATOM 0 H ASN A 34 -3.145 11.101 -34.399 1.00 35.15 H new ATOM 0 HA ASN A 34 -0.769 9.744 -35.161 1.00 40.12 H new ATOM 0 HB2 ASN A 34 -0.773 10.818 -37.520 1.00 42.11 H new ATOM 0 HB3 ASN A 34 -1.651 9.317 -37.298 1.00 42.11 H new ATOM 0 HD21 ASN A 34 -4.480 10.752 -38.788 1.00 3.02 H new ATOM 0 HD22 ASN A 34 -3.306 9.433 -38.720 1.00 3.02 H new ATOM 513 N ASP A 35 0.398 11.943 -34.958 1.00 73.32 N ATOM 514 CA ASP A 35 1.057 13.199 -34.621 1.00 13.03 C ATOM 515 C ASP A 35 1.745 13.797 -35.844 1.00 24.04 C ATOM 516 O ASP A 35 2.562 13.142 -36.492 1.00 72.20 O ATOM 517 CB ASP A 35 2.076 12.980 -33.502 1.00 3.42 C ATOM 518 CG ASP A 35 2.343 14.243 -32.706 1.00 52.24 C ATOM 519 OD1 ASP A 35 2.920 15.193 -33.276 1.00 52.14 O ATOM 520 OD2 ASP A 35 1.974 14.282 -31.514 1.00 54.03 O ATOM 0 H ASP A 35 1.025 11.141 -35.021 1.00 73.32 H new ATOM 0 HA ASP A 35 0.296 13.900 -34.277 1.00 13.03 H new ATOM 0 HB2 ASP A 35 1.713 12.201 -32.831 1.00 3.42 H new ATOM 0 HB3 ASP A 35 3.011 12.620 -33.931 1.00 3.42 H new ATOM 525 N CYS A 36 1.410 15.045 -36.154 1.00 21.20 N ATOM 526 CA CYS A 36 1.994 15.732 -37.300 1.00 22.44 C ATOM 527 C CYS A 36 3.515 15.602 -37.295 1.00 34.45 C ATOM 528 O CYS A 36 4.111 15.216 -36.289 1.00 63.44 O ATOM 529 CB CYS A 36 1.598 17.209 -37.291 1.00 53.34 C ATOM 530 SG CYS A 36 0.195 17.609 -38.383 1.00 30.21 S ATOM 0 H CYS A 36 0.737 15.601 -35.627 1.00 21.20 H new ATOM 0 HA CYS A 36 1.610 15.265 -38.207 1.00 22.44 H new ATOM 0 HB2 CYS A 36 1.346 17.500 -36.271 1.00 53.34 H new ATOM 0 HB3 CYS A 36 2.459 17.807 -37.590 1.00 53.34 H new ATOM 0 HG CYS A 36 0.127 16.733 -39.341 1.00 30.21 H new ATOM 535 N TRP A 37 4.134 15.927 -38.423 1.00 60.44 N ATOM 536 CA TRP A 37 5.585 15.846 -38.549 1.00 51.53 C ATOM 537 C TRP A 37 6.196 17.235 -38.699 1.00 11.44 C ATOM 538 O TRP A 37 5.522 18.246 -38.498 1.00 35.02 O ATOM 539 CB TRP A 37 5.966 14.976 -39.748 1.00 41.52 C ATOM 540 CG TRP A 37 5.434 15.494 -41.050 1.00 61.44 C ATOM 541 CD1 TRP A 37 4.165 15.347 -41.533 1.00 40.13 C ATOM 542 CD2 TRP A 37 6.157 16.238 -42.037 1.00 3.25 C ATOM 543 NE1 TRP A 37 4.056 15.956 -42.760 1.00 72.14 N ATOM 544 CE2 TRP A 37 5.264 16.511 -43.091 1.00 32.41 C ATOM 545 CE3 TRP A 37 7.472 16.703 -42.131 1.00 13.24 C ATOM 546 CZ2 TRP A 37 5.645 17.225 -44.223 1.00 40.43 C ATOM 547 CZ3 TRP A 37 7.849 17.412 -43.255 1.00 54.12 C ATOM 548 CH2 TRP A 37 6.938 17.668 -44.289 1.00 40.50 C ATOM 0 H TRP A 37 3.655 16.249 -39.264 1.00 60.44 H new ATOM 0 HA TRP A 37 5.979 15.392 -37.640 1.00 51.53 H new ATOM 0 HB2 TRP A 37 7.052 14.909 -39.808 1.00 41.52 H new ATOM 0 HB3 TRP A 37 5.592 13.965 -39.587 1.00 41.52 H new ATOM 0 HD1 TRP A 37 3.365 14.829 -41.025 1.00 40.13 H new ATOM 0 HE1 TRP A 37 3.212 15.989 -43.332 1.00 72.14 H new ATOM 0 HE3 TRP A 37 8.181 16.511 -41.339 1.00 13.24 H new ATOM 0 HZ2 TRP A 37 4.945 17.423 -45.021 1.00 40.43 H new ATOM 0 HZ3 TRP A 37 8.863 17.775 -43.338 1.00 54.12 H new ATOM 0 HH2 TRP A 37 7.263 18.226 -45.155 1.00 40.50 H new ATOM 559 N CYS A 38 7.476 17.279 -39.052 1.00 50.13 N ATOM 560 CA CYS A 38 8.178 18.544 -39.228 1.00 44.44 C ATOM 561 C CYS A 38 7.350 19.514 -40.066 1.00 11.41 C ATOM 562 O CYS A 38 6.487 19.102 -40.841 1.00 73.03 O ATOM 563 CB CYS A 38 9.536 18.310 -39.894 1.00 31.21 C ATOM 564 SG CYS A 38 10.949 18.973 -38.955 1.00 11.12 S ATOM 0 H CYS A 38 8.049 16.452 -39.222 1.00 50.13 H new ATOM 0 HA CYS A 38 8.334 18.983 -38.243 1.00 44.44 H new ATOM 0 HB2 CYS A 38 9.679 17.239 -40.037 1.00 31.21 H new ATOM 0 HB3 CYS A 38 9.526 18.765 -40.884 1.00 31.21 H new ATOM 569 N CYS A 39 7.619 20.806 -39.904 1.00 72.32 N ATOM 570 CA CYS A 39 6.899 21.836 -40.644 1.00 25.41 C ATOM 571 C CYS A 39 7.844 22.605 -41.563 1.00 71.33 C ATOM 572 O CYS A 39 8.968 22.171 -41.821 1.00 13.14 O ATOM 573 CB CYS A 39 6.212 22.802 -39.677 1.00 23.31 C ATOM 574 SG CYS A 39 4.469 23.144 -40.081 1.00 22.31 S ATOM 0 H CYS A 39 8.330 21.164 -39.267 1.00 72.32 H new ATOM 0 HA CYS A 39 6.142 21.347 -41.257 1.00 25.41 H new ATOM 0 HB2 CYS A 39 6.266 22.390 -38.669 1.00 23.31 H new ATOM 0 HB3 CYS A 39 6.763 23.742 -39.667 1.00 23.31 H new ATOM 0 HG CYS A 39 3.866 23.621 -39.033 1.00 22.31 H new ATOM 579 N LEU A 40 7.380 23.748 -42.055 1.00 43.32 N ATOM 580 CA LEU A 40 8.183 24.579 -42.946 1.00 11.30 C ATOM 581 C LEU A 40 9.589 24.776 -42.388 1.00 34.04 C ATOM 582 O LEU A 40 10.569 24.312 -42.970 1.00 41.42 O ATOM 583 CB LEU A 40 7.510 25.937 -43.153 1.00 54.14 C ATOM 584 CG LEU A 40 7.259 26.347 -44.605 1.00 35.01 C ATOM 585 CD1 LEU A 40 6.326 27.547 -44.667 1.00 62.21 C ATOM 586 CD2 LEU A 40 8.573 26.654 -45.308 1.00 20.35 C ATOM 0 H LEU A 40 6.452 24.121 -41.852 1.00 43.32 H new ATOM 0 HA LEU A 40 8.261 24.068 -43.906 1.00 11.30 H new ATOM 0 HB2 LEU A 40 6.555 25.931 -42.628 1.00 54.14 H new ATOM 0 HB3 LEU A 40 8.128 26.702 -42.682 1.00 54.14 H new ATOM 0 HG LEU A 40 6.781 25.514 -45.120 1.00 35.01 H new ATOM 0 HD11 LEU A 40 6.159 27.825 -45.708 1.00 62.21 H new ATOM 0 HD12 LEU A 40 5.374 27.292 -44.202 1.00 62.21 H new ATOM 0 HD13 LEU A 40 6.776 28.386 -44.136 1.00 62.21 H new ATOM 0 HD21 LEU A 40 8.375 26.944 -46.340 1.00 20.35 H new ATOM 0 HD22 LEU A 40 9.079 27.470 -44.793 1.00 20.35 H new ATOM 0 HD23 LEU A 40 9.208 25.768 -45.296 1.00 20.35 H new ATOM 598 N ARG A 41 9.679 25.464 -41.254 1.00 53.44 N ATOM 599 CA ARG A 41 10.964 25.721 -40.617 1.00 3.44 C ATOM 600 C ARG A 41 10.774 26.165 -39.169 1.00 40.01 C ATOM 601 O ARG A 41 9.905 26.984 -38.869 1.00 14.24 O ATOM 602 CB ARG A 41 11.737 26.790 -41.391 1.00 44.14 C ATOM 603 CG ARG A 41 11.019 28.127 -41.466 1.00 51.43 C ATOM 604 CD ARG A 41 11.920 29.213 -42.034 1.00 0.04 C ATOM 605 NE ARG A 41 12.562 28.797 -43.277 1.00 62.44 N ATOM 606 CZ ARG A 41 13.534 29.483 -43.869 1.00 13.25 C ATOM 607 NH1 ARG A 41 13.973 30.613 -43.332 1.00 12.14 N ATOM 608 NH2 ARG A 41 14.068 29.039 -44.999 1.00 43.40 N ATOM 0 H ARG A 41 8.877 25.853 -40.758 1.00 53.44 H new ATOM 0 HA ARG A 41 11.536 24.793 -40.623 1.00 3.44 H new ATOM 0 HB2 ARG A 41 12.709 26.935 -40.920 1.00 44.14 H new ATOM 0 HB3 ARG A 41 11.923 26.430 -42.403 1.00 44.14 H new ATOM 0 HG2 ARG A 41 10.129 28.029 -42.088 1.00 51.43 H new ATOM 0 HG3 ARG A 41 10.682 28.416 -40.471 1.00 51.43 H new ATOM 0 HD2 ARG A 41 11.333 30.114 -42.213 1.00 0.04 H new ATOM 0 HD3 ARG A 41 12.684 29.471 -41.300 1.00 0.04 H new ATOM 0 HE ARG A 41 12.247 27.932 -43.716 1.00 62.44 H new ATOM 0 HH11 ARG A 41 13.565 30.957 -42.463 1.00 12.14 H new ATOM 0 HH12 ARG A 41 14.719 31.138 -43.788 1.00 12.14 H new ATOM 0 HH21 ARG A 41 13.733 28.170 -45.415 1.00 43.40 H new ATOM 0 HH22 ARG A 41 14.814 29.567 -45.452 1.00 43.40 H new ATOM 622 N LEU A 42 11.592 25.619 -38.276 1.00 72.31 N ATOM 623 CA LEU A 42 11.514 25.957 -36.859 1.00 51.43 C ATOM 624 C LEU A 42 12.892 25.897 -36.208 1.00 71.42 C ATOM 625 O LEU A 42 13.860 25.444 -36.820 1.00 3.53 O ATOM 626 CB LEU A 42 10.555 25.007 -36.140 1.00 11.44 C ATOM 627 CG LEU A 42 10.600 23.545 -36.583 1.00 25.30 C ATOM 628 CD1 LEU A 42 10.845 22.633 -35.391 1.00 20.13 C ATOM 629 CD2 LEU A 42 9.310 23.162 -37.293 1.00 42.34 C ATOM 0 H LEU A 42 12.317 24.940 -38.508 1.00 72.31 H new ATOM 0 HA LEU A 42 11.137 26.976 -36.774 1.00 51.43 H new ATOM 0 HB2 LEU A 42 10.767 25.049 -35.072 1.00 11.44 H new ATOM 0 HB3 LEU A 42 9.539 25.376 -36.278 1.00 11.44 H new ATOM 0 HG LEU A 42 11.426 23.424 -37.283 1.00 25.30 H new ATOM 0 HD11 LEU A 42 10.874 21.596 -35.726 1.00 20.13 H new ATOM 0 HD12 LEU A 42 11.796 22.890 -34.925 1.00 20.13 H new ATOM 0 HD13 LEU A 42 10.041 22.758 -34.666 1.00 20.13 H new ATOM 0 HD21 LEU A 42 9.361 22.118 -37.601 1.00 42.34 H new ATOM 0 HD22 LEU A 42 8.467 23.300 -36.616 1.00 42.34 H new ATOM 0 HD23 LEU A 42 9.177 23.793 -38.171 1.00 42.34 H new ATOM 641 N LYS A 43 12.973 26.353 -34.963 1.00 71.10 N ATOM 642 CA LYS A 43 14.231 26.348 -34.226 1.00 70.20 C ATOM 643 C LYS A 43 14.118 25.500 -32.963 1.00 63.22 C ATOM 644 O LYS A 43 15.071 24.826 -32.567 1.00 54.54 O ATOM 645 CB LYS A 43 14.637 27.777 -33.859 1.00 15.11 C ATOM 646 CG LYS A 43 13.498 28.604 -33.286 1.00 45.25 C ATOM 647 CD LYS A 43 14.007 29.655 -32.314 1.00 21.24 C ATOM 648 CE LYS A 43 13.552 31.050 -32.712 1.00 51.30 C ATOM 649 NZ LYS A 43 12.100 31.256 -32.451 1.00 62.21 N ATOM 0 H LYS A 43 12.181 26.731 -34.443 1.00 71.10 H new ATOM 0 HA LYS A 43 14.997 25.913 -34.868 1.00 70.20 H new ATOM 0 HB2 LYS A 43 15.449 27.740 -33.133 1.00 15.11 H new ATOM 0 HB3 LYS A 43 15.026 28.275 -34.747 1.00 15.11 H new ATOM 0 HG2 LYS A 43 12.956 29.090 -34.097 1.00 45.25 H new ATOM 0 HG3 LYS A 43 12.791 27.948 -32.777 1.00 45.25 H new ATOM 0 HD2 LYS A 43 13.649 29.427 -31.310 1.00 21.24 H new ATOM 0 HD3 LYS A 43 15.096 29.623 -32.279 1.00 21.24 H new ATOM 0 HE2 LYS A 43 14.129 31.792 -32.159 1.00 51.30 H new ATOM 0 HE3 LYS A 43 13.757 31.211 -33.770 1.00 51.30 H new ATOM 0 HZ1 LYS A 43 11.829 32.219 -32.736 1.00 62.21 H new ATOM 0 HZ2 LYS A 43 11.548 30.565 -32.998 1.00 62.21 H new ATOM 0 HZ3 LYS A 43 11.908 31.128 -31.437 1.00 62.21 H new ATOM 663 N THR A 44 12.948 25.536 -32.334 1.00 73.51 N ATOM 664 CA THR A 44 12.711 24.770 -31.117 1.00 14.44 C ATOM 665 C THR A 44 11.654 23.695 -31.340 1.00 60.53 C ATOM 666 O THR A 44 11.735 22.603 -30.777 1.00 24.20 O ATOM 667 CB THR A 44 12.262 25.682 -29.959 1.00 32.33 C ATOM 668 OG1 THR A 44 12.320 24.965 -28.720 1.00 74.04 O ATOM 669 CG2 THR A 44 10.848 26.193 -30.189 1.00 75.41 C ATOM 0 H THR A 44 12.149 26.088 -32.647 1.00 73.51 H new ATOM 0 HA THR A 44 13.656 24.296 -30.853 1.00 14.44 H new ATOM 0 HB THR A 44 12.937 26.537 -29.916 1.00 32.33 H new ATOM 0 HG1 THR A 44 12.035 25.552 -27.989 1.00 74.04 H new ATOM 0 HG21 THR A 44 10.553 26.834 -29.358 1.00 75.41 H new ATOM 0 HG22 THR A 44 10.814 26.763 -31.118 1.00 75.41 H new ATOM 0 HG23 THR A 44 10.162 25.348 -30.256 1.00 75.41 H new ATOM 677 N LYS A 45 10.662 24.009 -32.167 1.00 22.32 N ATOM 678 CA LYS A 45 9.589 23.068 -32.468 1.00 3.45 C ATOM 679 C LYS A 45 8.540 23.710 -33.369 1.00 50.45 C ATOM 680 O LYS A 45 7.921 23.037 -34.193 1.00 24.11 O ATOM 681 CB LYS A 45 8.935 22.579 -31.174 1.00 15.13 C ATOM 682 CG LYS A 45 7.582 21.922 -31.387 1.00 52.23 C ATOM 683 CD LYS A 45 7.013 21.380 -30.086 1.00 44.54 C ATOM 684 CE LYS A 45 7.865 20.247 -29.535 1.00 41.31 C ATOM 685 NZ LYS A 45 7.037 19.205 -28.868 1.00 72.33 N ATOM 0 H LYS A 45 10.579 24.908 -32.641 1.00 22.32 H new ATOM 0 HA LYS A 45 10.022 22.217 -32.994 1.00 3.45 H new ATOM 0 HB2 LYS A 45 9.602 21.868 -30.686 1.00 15.13 H new ATOM 0 HB3 LYS A 45 8.817 23.423 -30.495 1.00 15.13 H new ATOM 0 HG2 LYS A 45 6.888 22.646 -31.815 1.00 52.23 H new ATOM 0 HG3 LYS A 45 7.680 21.110 -32.108 1.00 52.23 H new ATOM 0 HD2 LYS A 45 6.954 22.183 -29.351 1.00 44.54 H new ATOM 0 HD3 LYS A 45 5.996 21.024 -30.252 1.00 44.54 H new ATOM 0 HE2 LYS A 45 8.435 19.794 -30.346 1.00 41.31 H new ATOM 0 HE3 LYS A 45 8.587 20.648 -28.823 1.00 41.31 H new ATOM 0 HZ1 LYS A 45 7.654 18.450 -28.506 1.00 72.33 H new ATOM 0 HZ2 LYS A 45 6.512 19.632 -28.078 1.00 72.33 H new ATOM 0 HZ3 LYS A 45 6.365 18.804 -29.553 1.00 72.33 H new ATOM 699 N GLN A 46 8.347 25.016 -33.209 1.00 34.54 N ATOM 700 CA GLN A 46 7.373 25.747 -34.010 1.00 14.43 C ATOM 701 C GLN A 46 7.931 27.098 -34.445 1.00 14.31 C ATOM 702 O GLN A 46 8.778 27.678 -33.767 1.00 44.10 O ATOM 703 CB GLN A 46 6.078 25.948 -33.219 1.00 62.55 C ATOM 704 CG GLN A 46 6.274 26.694 -31.910 1.00 23.34 C ATOM 705 CD GLN A 46 5.618 28.060 -31.912 1.00 55.04 C ATOM 706 OE1 GLN A 46 4.394 28.174 -31.827 1.00 24.21 O ATOM 707 NE2 GLN A 46 6.429 29.107 -32.011 1.00 34.23 N ATOM 0 H GLN A 46 8.852 25.588 -32.532 1.00 34.54 H new ATOM 0 HA GLN A 46 7.158 25.158 -34.902 1.00 14.43 H new ATOM 0 HB2 GLN A 46 5.366 26.496 -33.837 1.00 62.55 H new ATOM 0 HB3 GLN A 46 5.635 24.974 -33.010 1.00 62.55 H new ATOM 0 HG2 GLN A 46 5.864 26.100 -31.093 1.00 23.34 H new ATOM 0 HG3 GLN A 46 7.341 26.808 -31.718 1.00 23.34 H new ATOM 0 HE21 GLN A 46 7.437 28.967 -32.079 1.00 34.23 H new ATOM 0 HE22 GLN A 46 6.044 30.051 -32.019 1.00 34.23 H new ATOM 716 N ALA A 47 7.449 27.594 -35.580 1.00 63.23 N ATOM 717 CA ALA A 47 7.899 28.877 -36.105 1.00 11.20 C ATOM 718 C ALA A 47 7.169 29.229 -37.397 1.00 35.53 C ATOM 719 O ALA A 47 6.355 30.152 -37.429 1.00 41.04 O ATOM 720 CB ALA A 47 9.403 28.855 -36.336 1.00 13.42 C ATOM 0 H ALA A 47 6.747 27.127 -36.153 1.00 63.23 H new ATOM 0 HA ALA A 47 7.667 29.644 -35.367 1.00 11.20 H new ATOM 0 HB1 ALA A 47 9.725 29.820 -36.728 1.00 13.42 H new ATOM 0 HB2 ALA A 47 9.913 28.658 -35.393 1.00 13.42 H new ATOM 0 HB3 ALA A 47 9.650 28.071 -37.052 1.00 13.42 H new ATOM 726 N ARG A 48 7.465 28.487 -38.459 1.00 33.11 N ATOM 727 CA ARG A 48 6.837 28.722 -39.754 1.00 22.22 C ATOM 728 C ARG A 48 6.104 27.474 -40.237 1.00 62.11 C ATOM 729 O ARG A 48 6.708 26.415 -40.411 1.00 75.35 O ATOM 730 CB ARG A 48 7.887 29.141 -40.785 1.00 0.05 C ATOM 731 CG ARG A 48 8.842 30.211 -40.281 1.00 22.43 C ATOM 732 CD ARG A 48 8.119 31.520 -40.009 1.00 52.44 C ATOM 733 NE ARG A 48 8.244 32.456 -41.124 1.00 23.02 N ATOM 734 CZ ARG A 48 7.834 33.718 -41.073 1.00 54.25 C ATOM 735 NH1 ARG A 48 7.274 34.193 -39.969 1.00 44.42 N ATOM 736 NH2 ARG A 48 7.982 34.508 -42.129 1.00 44.31 N ATOM 0 H ARG A 48 8.135 27.718 -38.448 1.00 33.11 H new ATOM 0 HA ARG A 48 6.111 29.527 -39.637 1.00 22.22 H new ATOM 0 HB2 ARG A 48 8.462 28.264 -41.083 1.00 0.05 H new ATOM 0 HB3 ARG A 48 7.381 29.509 -41.678 1.00 0.05 H new ATOM 0 HG2 ARG A 48 9.328 29.866 -39.368 1.00 22.43 H new ATOM 0 HG3 ARG A 48 9.628 30.375 -41.018 1.00 22.43 H new ATOM 0 HD2 ARG A 48 7.064 31.319 -39.821 1.00 52.44 H new ATOM 0 HD3 ARG A 48 8.523 31.976 -39.105 1.00 52.44 H new ATOM 0 HE ARG A 48 8.669 32.122 -41.989 1.00 23.02 H new ATOM 0 HH11 ARG A 48 7.157 33.589 -39.156 1.00 44.42 H new ATOM 0 HH12 ARG A 48 6.960 35.163 -39.933 1.00 44.42 H new ATOM 0 HH21 ARG A 48 8.411 34.146 -42.981 1.00 44.31 H new ATOM 0 HH22 ARG A 48 7.667 35.477 -42.089 1.00 44.31 H new ATOM 750 N CYS A 49 4.799 27.606 -40.451 1.00 44.34 N ATOM 751 CA CYS A 49 3.983 26.490 -40.913 1.00 52.44 C ATOM 752 C CYS A 49 2.740 26.992 -41.643 1.00 33.40 C ATOM 753 O CYS A 49 2.537 28.197 -41.789 1.00 11.05 O ATOM 754 CB CYS A 49 3.574 25.608 -39.733 1.00 35.41 C ATOM 755 SG CYS A 49 3.877 23.830 -39.993 1.00 52.33 S ATOM 0 H CYS A 49 4.284 28.475 -40.312 1.00 44.34 H new ATOM 0 HA CYS A 49 4.578 25.900 -41.609 1.00 52.44 H new ATOM 0 HB2 CYS A 49 4.117 25.932 -38.845 1.00 35.41 H new ATOM 0 HB3 CYS A 49 2.514 25.759 -39.531 1.00 35.41 H new ATOM 0 HG CYS A 49 4.754 23.673 -40.940 1.00 52.33 H new ATOM 760 N TRP A 50 1.912 26.058 -42.099 1.00 10.53 N ATOM 761 CA TRP A 50 0.688 26.405 -42.813 1.00 4.21 C ATOM 762 C TRP A 50 -0.543 25.974 -42.024 1.00 51.02 C ATOM 763 O TRP A 50 -0.611 24.851 -41.525 1.00 33.31 O ATOM 764 CB TRP A 50 0.678 25.752 -44.196 1.00 22.22 C ATOM 765 CG TRP A 50 1.119 24.319 -44.179 1.00 43.53 C ATOM 766 CD1 TRP A 50 0.318 23.215 -44.233 1.00 64.45 C ATOM 767 CD2 TRP A 50 2.466 23.838 -44.101 1.00 55.25 C ATOM 768 NE1 TRP A 50 1.086 22.075 -44.194 1.00 12.40 N ATOM 769 CE2 TRP A 50 2.406 22.431 -44.114 1.00 22.11 C ATOM 770 CE3 TRP A 50 3.715 24.459 -44.025 1.00 22.13 C ATOM 771 CZ2 TRP A 50 3.549 21.637 -44.051 1.00 15.40 C ATOM 772 CZ3 TRP A 50 4.848 23.670 -43.962 1.00 70.00 C ATOM 773 CH2 TRP A 50 4.759 22.272 -43.976 1.00 72.43 C ATOM 0 H TRP A 50 2.066 25.056 -41.987 1.00 10.53 H new ATOM 0 HA TRP A 50 0.660 27.488 -42.930 1.00 4.21 H new ATOM 0 HB2 TRP A 50 -0.329 25.810 -44.610 1.00 22.22 H new ATOM 0 HB3 TRP A 50 1.330 26.318 -44.862 1.00 22.22 H new ATOM 0 HD1 TRP A 50 -0.760 23.234 -44.297 1.00 64.45 H new ATOM 0 HE1 TRP A 50 0.730 21.119 -44.220 1.00 12.40 H new ATOM 0 HE3 TRP A 50 3.794 25.536 -44.016 1.00 22.13 H new ATOM 0 HZ2 TRP A 50 3.483 20.559 -44.061 1.00 15.40 H new ATOM 0 HZ3 TRP A 50 5.819 24.139 -43.901 1.00 70.00 H new ATOM 0 HH2 TRP A 50 5.663 21.684 -43.927 1.00 72.43 H new ATOM 784 N LYS A 51 -1.515 26.873 -41.915 1.00 54.15 N ATOM 785 CA LYS A 51 -2.746 26.586 -41.189 1.00 32.55 C ATOM 786 C LYS A 51 -3.621 25.608 -41.966 1.00 75.20 C ATOM 787 O LYS A 51 -3.930 25.833 -43.136 1.00 34.14 O ATOM 788 CB LYS A 51 -3.520 27.879 -40.923 1.00 21.12 C ATOM 789 CG LYS A 51 -3.801 28.128 -39.451 1.00 44.31 C ATOM 790 CD LYS A 51 -2.596 28.732 -38.748 1.00 72.40 C ATOM 791 CE LYS A 51 -1.932 27.727 -37.819 1.00 64.25 C ATOM 792 NZ LYS A 51 -0.497 28.050 -37.588 1.00 3.33 N ATOM 0 H LYS A 51 -1.474 27.808 -42.321 1.00 54.15 H new ATOM 0 HA LYS A 51 -2.478 26.128 -40.237 1.00 32.55 H new ATOM 0 HB2 LYS A 51 -2.954 28.720 -41.324 1.00 21.12 H new ATOM 0 HB3 LYS A 51 -4.466 27.844 -41.464 1.00 21.12 H new ATOM 0 HG2 LYS A 51 -4.655 28.797 -39.351 1.00 44.31 H new ATOM 0 HG3 LYS A 51 -4.073 27.190 -38.968 1.00 44.31 H new ATOM 0 HD2 LYS A 51 -1.875 29.075 -39.490 1.00 72.40 H new ATOM 0 HD3 LYS A 51 -2.907 29.607 -38.177 1.00 72.40 H new ATOM 0 HE2 LYS A 51 -2.459 27.711 -36.865 1.00 64.25 H new ATOM 0 HE3 LYS A 51 -2.015 26.728 -38.246 1.00 64.25 H new ATOM 0 HZ1 LYS A 51 -0.080 27.342 -36.950 1.00 3.33 H new ATOM 0 HZ2 LYS A 51 0.011 28.040 -38.495 1.00 3.33 H new ATOM 0 HZ3 LYS A 51 -0.418 28.993 -37.157 1.00 3.33 H new ATOM 806 N GLU A 52 -4.018 24.523 -41.308 1.00 14.24 N ATOM 807 CA GLU A 52 -4.859 23.512 -41.938 1.00 41.35 C ATOM 808 C GLU A 52 -6.205 24.103 -42.349 1.00 62.21 C ATOM 809 O GLU A 52 -6.932 23.521 -43.155 1.00 24.23 O ATOM 810 CB GLU A 52 -5.076 22.332 -40.989 1.00 3.32 C ATOM 811 CG GLU A 52 -6.074 21.310 -41.506 1.00 64.03 C ATOM 812 CD GLU A 52 -6.097 20.044 -40.672 1.00 74.00 C ATOM 813 OE1 GLU A 52 -5.012 19.482 -40.416 1.00 44.23 O ATOM 814 OE2 GLU A 52 -7.201 19.615 -40.275 1.00 62.12 O ATOM 0 H GLU A 52 -3.771 24.322 -40.339 1.00 14.24 H new ATOM 0 HA GLU A 52 -4.348 23.159 -42.834 1.00 41.35 H new ATOM 0 HB2 GLU A 52 -4.121 21.838 -40.813 1.00 3.32 H new ATOM 0 HB3 GLU A 52 -5.421 22.710 -40.027 1.00 3.32 H new ATOM 0 HG2 GLU A 52 -7.070 21.753 -41.515 1.00 64.03 H new ATOM 0 HG3 GLU A 52 -5.828 21.057 -42.537 1.00 64.03 H new ATOM 821 N LYS A 53 -6.531 25.263 -41.789 1.00 21.41 N ATOM 822 CA LYS A 53 -7.788 25.934 -42.095 1.00 53.35 C ATOM 823 C LYS A 53 -7.732 26.593 -43.470 1.00 50.11 C ATOM 824 O LYS A 53 -8.719 26.601 -44.205 1.00 30.12 O ATOM 825 CB LYS A 53 -8.103 26.984 -41.027 1.00 51.25 C ATOM 826 CG LYS A 53 -6.976 27.977 -40.799 1.00 72.43 C ATOM 827 CD LYS A 53 -7.385 29.070 -39.827 1.00 3.32 C ATOM 828 CE LYS A 53 -7.425 30.432 -40.504 1.00 73.41 C ATOM 829 NZ LYS A 53 -7.340 31.544 -39.518 1.00 44.42 N ATOM 0 H LYS A 53 -5.941 25.758 -41.120 1.00 21.41 H new ATOM 0 HA LYS A 53 -8.579 25.184 -42.103 1.00 53.35 H new ATOM 0 HB2 LYS A 53 -9.002 27.528 -41.318 1.00 51.25 H new ATOM 0 HB3 LYS A 53 -8.326 26.479 -40.087 1.00 51.25 H new ATOM 0 HG2 LYS A 53 -6.101 27.454 -40.413 1.00 72.43 H new ATOM 0 HG3 LYS A 53 -6.686 28.424 -41.750 1.00 72.43 H new ATOM 0 HD2 LYS A 53 -8.366 28.840 -39.411 1.00 3.32 H new ATOM 0 HD3 LYS A 53 -6.684 29.098 -38.993 1.00 3.32 H new ATOM 0 HE2 LYS A 53 -6.600 30.510 -41.212 1.00 73.41 H new ATOM 0 HE3 LYS A 53 -8.347 30.525 -41.078 1.00 73.41 H new ATOM 0 HZ1 LYS A 53 -7.370 32.455 -40.019 1.00 44.42 H new ATOM 0 HZ2 LYS A 53 -8.142 31.485 -38.858 1.00 44.42 H new ATOM 0 HZ3 LYS A 53 -6.449 31.470 -38.987 1.00 44.42 H new ATOM 843 N GLU A 54 -6.571 27.143 -43.811 1.00 2.33 N ATOM 844 CA GLU A 54 -6.387 27.804 -45.098 1.00 34.42 C ATOM 845 C GLU A 54 -5.598 26.917 -46.057 1.00 31.24 C ATOM 846 O GLU A 54 -5.491 27.212 -47.247 1.00 62.01 O ATOM 847 CB GLU A 54 -5.667 29.141 -44.912 1.00 60.32 C ATOM 848 CG GLU A 54 -6.555 30.238 -44.349 1.00 71.45 C ATOM 849 CD GLU A 54 -5.765 31.444 -43.879 1.00 34.42 C ATOM 850 OE1 GLU A 54 -4.790 31.256 -43.122 1.00 14.43 O ATOM 851 OE2 GLU A 54 -6.123 32.575 -44.269 1.00 31.05 O ATOM 0 H GLU A 54 -5.744 27.144 -43.214 1.00 2.33 H new ATOM 0 HA GLU A 54 -7.372 27.988 -45.527 1.00 34.42 H new ATOM 0 HB2 GLU A 54 -4.816 28.996 -44.246 1.00 60.32 H new ATOM 0 HB3 GLU A 54 -5.268 29.466 -45.873 1.00 60.32 H new ATOM 0 HG2 GLU A 54 -7.268 30.550 -45.112 1.00 71.45 H new ATOM 0 HG3 GLU A 54 -7.134 29.840 -43.515 1.00 71.45 H new ATOM 858 N PHE A 55 -5.047 25.829 -45.529 1.00 4.02 N ATOM 859 CA PHE A 55 -4.265 24.899 -46.336 1.00 55.33 C ATOM 860 C PHE A 55 -4.750 23.466 -46.137 1.00 2.11 C ATOM 861 O PHE A 55 -4.614 22.882 -45.062 1.00 13.15 O ATOM 862 CB PHE A 55 -2.781 25.003 -45.979 1.00 34.55 C ATOM 863 CG PHE A 55 -2.000 25.884 -46.911 1.00 21.52 C ATOM 864 CD1 PHE A 55 -2.196 27.255 -46.916 1.00 45.10 C ATOM 865 CD2 PHE A 55 -1.070 25.340 -47.782 1.00 60.23 C ATOM 866 CE1 PHE A 55 -1.478 28.069 -47.772 1.00 62.24 C ATOM 867 CE2 PHE A 55 -0.349 26.148 -48.641 1.00 10.45 C ATOM 868 CZ PHE A 55 -0.554 27.514 -48.637 1.00 10.45 C ATOM 0 H PHE A 55 -5.127 25.570 -44.546 1.00 4.02 H new ATOM 0 HA PHE A 55 -4.398 25.166 -47.384 1.00 55.33 H new ATOM 0 HB2 PHE A 55 -2.686 25.388 -44.964 1.00 34.55 H new ATOM 0 HB3 PHE A 55 -2.344 24.005 -45.984 1.00 34.55 H new ATOM 0 HD1 PHE A 55 -2.918 27.693 -46.243 1.00 45.10 H new ATOM 0 HD2 PHE A 55 -0.907 24.272 -47.790 1.00 60.23 H new ATOM 0 HE1 PHE A 55 -1.639 29.137 -47.765 1.00 62.24 H new ATOM 0 HE2 PHE A 55 0.374 25.712 -49.315 1.00 10.45 H new ATOM 0 HZ PHE A 55 0.007 28.147 -49.309 1.00 10.45 H new ATOM 878 N PRO A 56 -5.329 22.885 -47.198 1.00 32.02 N ATOM 879 CA PRO A 56 -5.846 21.514 -47.165 1.00 62.52 C ATOM 880 C PRO A 56 -4.731 20.476 -47.082 1.00 53.12 C ATOM 881 O PRO A 56 -4.907 19.409 -46.496 1.00 63.21 O ATOM 882 CB PRO A 56 -6.597 21.386 -48.493 1.00 33.14 C ATOM 883 CG PRO A 56 -5.948 22.380 -49.393 1.00 21.34 C ATOM 884 CD PRO A 56 -5.524 23.522 -48.511 1.00 71.22 C ATOM 0 HA PRO A 56 -6.468 21.334 -46.288 1.00 62.52 H new ATOM 0 HB2 PRO A 56 -6.519 20.376 -48.896 1.00 33.14 H new ATOM 0 HB3 PRO A 56 -7.659 21.598 -48.369 1.00 33.14 H new ATOM 0 HG2 PRO A 56 -5.090 21.942 -49.904 1.00 21.34 H new ATOM 0 HG3 PRO A 56 -6.640 22.718 -50.164 1.00 21.34 H new ATOM 0 HD2 PRO A 56 -4.607 23.989 -48.871 1.00 71.22 H new ATOM 0 HD3 PRO A 56 -6.284 24.302 -48.470 1.00 71.22 H new ATOM 892 N ASN A 57 -3.585 20.798 -47.672 1.00 63.54 N ATOM 893 CA ASN A 57 -2.441 19.892 -47.665 1.00 11.51 C ATOM 894 C ASN A 57 -2.017 19.563 -46.237 1.00 14.33 C ATOM 895 O ASN A 57 -1.487 18.486 -45.969 1.00 24.23 O ATOM 896 CB ASN A 57 -1.268 20.513 -48.427 1.00 32.14 C ATOM 897 CG ASN A 57 -0.880 19.704 -49.649 1.00 72.12 C ATOM 898 OD1 ASN A 57 -0.851 20.221 -50.766 1.00 11.20 O ATOM 899 ND2 ASN A 57 -0.580 18.427 -49.443 1.00 21.04 N ATOM 0 H ASN A 57 -3.423 21.678 -48.161 1.00 63.54 H new ATOM 0 HA ASN A 57 -2.738 18.967 -48.159 1.00 11.51 H new ATOM 0 HB2 ASN A 57 -1.532 21.525 -48.733 1.00 32.14 H new ATOM 0 HB3 ASN A 57 -0.409 20.596 -47.761 1.00 32.14 H new ATOM 0 HD21 ASN A 57 -0.312 17.833 -50.228 1.00 21.04 H new ATOM 0 HD22 ASN A 57 -0.617 18.040 -48.500 1.00 21.04 H new ATOM 906 N ALA A 58 -2.256 20.499 -45.324 1.00 14.12 N ATOM 907 CA ALA A 58 -1.902 20.308 -43.923 1.00 33.21 C ATOM 908 C ALA A 58 -2.592 19.076 -43.346 1.00 1.45 C ATOM 909 O ALA A 58 -1.952 18.225 -42.728 1.00 5.30 O ATOM 910 CB ALA A 58 -2.263 21.545 -43.114 1.00 25.13 C ATOM 0 H ALA A 58 -2.693 21.397 -45.530 1.00 14.12 H new ATOM 0 HA ALA A 58 -0.825 20.150 -43.864 1.00 33.21 H new ATOM 0 HB1 ALA A 58 -1.993 21.388 -42.070 1.00 25.13 H new ATOM 0 HB2 ALA A 58 -1.720 22.406 -43.504 1.00 25.13 H new ATOM 0 HB3 ALA A 58 -3.335 21.728 -43.188 1.00 25.13 H new ATOM 916 N LYS A 59 -3.902 18.988 -43.549 1.00 61.55 N ATOM 917 CA LYS A 59 -4.680 17.860 -43.050 1.00 22.00 C ATOM 918 C LYS A 59 -4.335 16.582 -43.809 1.00 2.44 C ATOM 919 O LYS A 59 -4.325 15.494 -43.235 1.00 70.45 O ATOM 920 CB LYS A 59 -6.177 18.151 -43.175 1.00 1.51 C ATOM 921 CG LYS A 59 -6.754 17.799 -44.535 1.00 62.10 C ATOM 922 CD LYS A 59 -7.261 16.367 -44.571 1.00 52.14 C ATOM 923 CE LYS A 59 -6.994 15.715 -45.919 1.00 51.24 C ATOM 924 NZ LYS A 59 -8.244 15.549 -46.712 1.00 64.14 N ATOM 0 H LYS A 59 -4.448 19.685 -44.056 1.00 61.55 H new ATOM 0 HA LYS A 59 -4.430 17.716 -41.999 1.00 22.00 H new ATOM 0 HB2 LYS A 59 -6.712 17.593 -42.407 1.00 1.51 H new ATOM 0 HB3 LYS A 59 -6.350 19.209 -42.979 1.00 1.51 H new ATOM 0 HG2 LYS A 59 -7.570 18.481 -44.773 1.00 62.10 H new ATOM 0 HG3 LYS A 59 -5.991 17.935 -45.301 1.00 62.10 H new ATOM 0 HD2 LYS A 59 -6.777 15.789 -43.784 1.00 52.14 H new ATOM 0 HD3 LYS A 59 -8.331 16.353 -44.365 1.00 52.14 H new ATOM 0 HE2 LYS A 59 -6.285 16.322 -46.482 1.00 51.24 H new ATOM 0 HE3 LYS A 59 -6.529 14.741 -45.766 1.00 51.24 H new ATOM 0 HZ1 LYS A 59 -8.014 15.547 -47.726 1.00 64.14 H new ATOM 0 HZ2 LYS A 59 -8.699 14.649 -46.459 1.00 64.14 H new ATOM 0 HZ3 LYS A 59 -8.893 16.335 -46.505 1.00 64.14 H new ATOM 938 N GLU A 60 -4.051 16.724 -45.100 1.00 13.34 N ATOM 939 CA GLU A 60 -3.705 15.580 -45.935 1.00 52.42 C ATOM 940 C GLU A 60 -2.375 14.972 -45.500 1.00 72.52 C ATOM 941 O GLU A 60 -2.254 13.754 -45.358 1.00 43.10 O ATOM 942 CB GLU A 60 -3.631 15.998 -47.405 1.00 42.42 C ATOM 943 CG GLU A 60 -4.388 15.071 -48.341 1.00 25.32 C ATOM 944 CD GLU A 60 -5.292 15.820 -49.299 1.00 54.15 C ATOM 945 OE1 GLU A 60 -4.766 16.572 -50.146 1.00 64.14 O ATOM 946 OE2 GLU A 60 -6.526 15.655 -49.203 1.00 13.41 O ATOM 0 H GLU A 60 -4.054 17.619 -45.590 1.00 13.34 H new ATOM 0 HA GLU A 60 -4.485 14.827 -45.818 1.00 52.42 H new ATOM 0 HB2 GLU A 60 -4.029 17.008 -47.507 1.00 42.42 H new ATOM 0 HB3 GLU A 60 -2.586 16.035 -47.711 1.00 42.42 H new ATOM 0 HG2 GLU A 60 -3.675 14.475 -48.911 1.00 25.32 H new ATOM 0 HG3 GLU A 60 -4.986 14.375 -47.752 1.00 25.32 H new ATOM 953 N LEU A 61 -1.380 15.827 -45.291 1.00 73.41 N ATOM 954 CA LEU A 61 -0.058 15.374 -44.873 1.00 0.23 C ATOM 955 C LEU A 61 -0.097 14.816 -43.454 1.00 11.23 C ATOM 956 O LEU A 61 0.492 13.773 -43.169 1.00 2.12 O ATOM 957 CB LEU A 61 0.946 16.526 -44.953 1.00 35.04 C ATOM 958 CG LEU A 61 1.075 17.210 -46.314 1.00 65.20 C ATOM 959 CD1 LEU A 61 1.393 18.687 -46.141 1.00 41.02 C ATOM 960 CD2 LEU A 61 2.145 16.527 -47.154 1.00 2.12 C ATOM 0 H LEU A 61 -1.463 16.837 -45.404 1.00 73.41 H new ATOM 0 HA LEU A 61 0.257 14.578 -45.548 1.00 0.23 H new ATOM 0 HB2 LEU A 61 0.665 17.278 -44.216 1.00 35.04 H new ATOM 0 HB3 LEU A 61 1.927 16.148 -44.664 1.00 35.04 H new ATOM 0 HG LEU A 61 0.121 17.123 -46.835 1.00 65.20 H new ATOM 0 HD11 LEU A 61 1.481 19.157 -47.120 1.00 41.02 H new ATOM 0 HD12 LEU A 61 0.593 19.168 -45.578 1.00 41.02 H new ATOM 0 HD13 LEU A 61 2.333 18.796 -45.600 1.00 41.02 H new ATOM 0 HD21 LEU A 61 2.224 17.027 -48.120 1.00 2.12 H new ATOM 0 HD22 LEU A 61 3.103 16.582 -46.638 1.00 2.12 H new ATOM 0 HD23 LEU A 61 1.875 15.482 -47.307 1.00 2.12 H new ATOM 972 N CYS A 62 -0.797 15.516 -42.567 1.00 43.42 N ATOM 973 CA CYS A 62 -0.915 15.091 -41.178 1.00 12.12 C ATOM 974 C CYS A 62 -1.605 13.734 -41.081 1.00 73.54 C ATOM 975 O CYS A 62 -1.208 12.878 -40.290 1.00 73.11 O ATOM 976 CB CYS A 62 -1.694 16.130 -40.369 1.00 55.22 C ATOM 977 SG CYS A 62 -0.642 17.295 -39.445 1.00 31.12 S ATOM 0 H CYS A 62 -1.291 16.381 -42.786 1.00 43.42 H new ATOM 0 HA CYS A 62 0.090 14.998 -40.766 1.00 12.12 H new ATOM 0 HB2 CYS A 62 -2.336 16.695 -41.045 1.00 55.22 H new ATOM 0 HB3 CYS A 62 -2.348 15.612 -39.667 1.00 55.22 H new ATOM 0 HG CYS A 62 -0.269 16.749 -38.326 1.00 31.12 H new ATOM 982 N PHE A 63 -2.641 13.543 -41.893 1.00 4.44 N ATOM 983 CA PHE A 63 -3.387 12.291 -41.899 1.00 21.41 C ATOM 984 C PHE A 63 -2.578 11.179 -42.561 1.00 52.14 C ATOM 985 O PHE A 63 -2.629 10.024 -42.140 1.00 10.24 O ATOM 986 CB PHE A 63 -4.720 12.470 -42.628 1.00 12.43 C ATOM 987 CG PHE A 63 -5.842 12.904 -41.728 1.00 3.05 C ATOM 988 CD1 PHE A 63 -5.737 14.065 -40.978 1.00 62.13 C ATOM 989 CD2 PHE A 63 -7.001 12.151 -41.631 1.00 2.20 C ATOM 990 CE1 PHE A 63 -6.767 14.466 -40.149 1.00 20.43 C ATOM 991 CE2 PHE A 63 -8.035 12.547 -40.803 1.00 44.23 C ATOM 992 CZ PHE A 63 -7.918 13.707 -40.062 1.00 22.40 C ATOM 0 H PHE A 63 -2.982 14.240 -42.555 1.00 4.44 H new ATOM 0 HA PHE A 63 -3.582 12.008 -40.864 1.00 21.41 H new ATOM 0 HB2 PHE A 63 -4.595 13.207 -43.421 1.00 12.43 H new ATOM 0 HB3 PHE A 63 -4.992 11.530 -43.107 1.00 12.43 H new ATOM 0 HD1 PHE A 63 -4.840 14.663 -41.042 1.00 62.13 H new ATOM 0 HD2 PHE A 63 -7.098 11.244 -42.209 1.00 2.20 H new ATOM 0 HE1 PHE A 63 -6.672 15.372 -39.569 1.00 20.43 H new ATOM 0 HE2 PHE A 63 -8.933 11.950 -40.736 1.00 44.23 H new ATOM 0 HZ PHE A 63 -8.725 14.020 -39.416 1.00 22.40 H new ATOM 1002 N ALA A 64 -1.833 11.537 -43.602 1.00 0.32 N ATOM 1003 CA ALA A 64 -1.012 10.572 -44.322 1.00 73.22 C ATOM 1004 C ALA A 64 0.225 10.193 -43.516 1.00 2.14 C ATOM 1005 O ALA A 64 0.779 9.108 -43.685 1.00 24.14 O ATOM 1006 CB ALA A 64 -0.610 11.130 -45.679 1.00 63.23 C ATOM 0 H ALA A 64 -1.781 12.489 -43.965 1.00 0.32 H new ATOM 0 HA ALA A 64 -1.604 9.670 -44.473 1.00 73.22 H new ATOM 0 HB1 ALA A 64 0.003 10.399 -46.206 1.00 63.23 H new ATOM 0 HB2 ALA A 64 -1.505 11.343 -46.264 1.00 63.23 H new ATOM 0 HB3 ALA A 64 -0.040 12.049 -45.540 1.00 63.23 H new ATOM 1012 N ASN A 65 0.653 11.095 -42.639 1.00 4.51 N ATOM 1013 CA ASN A 65 1.827 10.856 -41.807 1.00 31.23 C ATOM 1014 C ASN A 65 1.726 9.508 -41.099 1.00 70.23 C ATOM 1015 O ASN A 65 0.920 9.333 -40.185 1.00 20.02 O ATOM 1016 CB ASN A 65 1.984 11.975 -40.776 1.00 10.14 C ATOM 1017 CG ASN A 65 2.770 11.532 -39.557 1.00 3.32 C ATOM 1018 OD1 ASN A 65 3.994 11.408 -39.605 1.00 61.14 O ATOM 1019 ND2 ASN A 65 2.068 11.292 -38.455 1.00 65.24 N ATOM 0 H ASN A 65 0.205 11.998 -42.486 1.00 4.51 H new ATOM 0 HA ASN A 65 2.704 10.842 -42.455 1.00 31.23 H new ATOM 0 HB2 ASN A 65 2.486 12.824 -41.239 1.00 10.14 H new ATOM 0 HB3 ASN A 65 0.998 12.319 -40.464 1.00 10.14 H new ATOM 0 HD21 ASN A 65 2.542 10.992 -37.603 1.00 65.24 H new ATOM 0 HD22 ASN A 65 1.055 11.408 -38.461 1.00 65.24 H new ATOM 1026 N CYS A 66 2.550 8.558 -41.528 1.00 72.42 N ATOM 1027 CA CYS A 66 2.555 7.225 -40.937 1.00 32.00 C ATOM 1028 C CYS A 66 3.945 6.600 -41.015 1.00 11.40 C ATOM 1029 O CYS A 66 4.796 7.016 -41.802 1.00 30.52 O ATOM 1030 CB CYS A 66 1.539 6.326 -41.645 1.00 44.25 C ATOM 1031 SG CYS A 66 -0.007 6.075 -40.716 1.00 53.43 S ATOM 0 H CYS A 66 3.223 8.687 -42.283 1.00 72.42 H new ATOM 0 HA CYS A 66 2.277 7.320 -39.887 1.00 32.00 H new ATOM 0 HB2 CYS A 66 1.300 6.760 -42.616 1.00 44.25 H new ATOM 0 HB3 CYS A 66 1.998 5.356 -41.834 1.00 44.25 H new ATOM 1036 N PRO A 67 4.182 5.578 -40.180 1.00 12.14 N ATOM 1037 CA PRO A 67 5.467 4.874 -40.135 1.00 74.41 C ATOM 1038 C PRO A 67 5.713 4.037 -41.386 1.00 34.22 C ATOM 1039 O PRO A 67 4.815 3.813 -42.198 1.00 62.34 O ATOM 1040 CB PRO A 67 5.334 3.971 -38.906 1.00 0.54 C ATOM 1041 CG PRO A 67 3.868 3.760 -38.747 1.00 51.21 C ATOM 1042 CD PRO A 67 3.213 5.031 -39.215 1.00 25.33 C ATOM 0 HA PRO A 67 6.309 5.565 -40.085 1.00 74.41 H new ATOM 0 HB2 PRO A 67 5.856 3.025 -39.051 1.00 0.54 H new ATOM 0 HB3 PRO A 67 5.765 4.440 -38.021 1.00 0.54 H new ATOM 0 HG2 PRO A 67 3.530 2.907 -39.336 1.00 51.21 H new ATOM 0 HG3 PRO A 67 3.614 3.550 -37.708 1.00 51.21 H new ATOM 0 HD2 PRO A 67 2.247 4.837 -39.681 1.00 25.33 H new ATOM 0 HD3 PRO A 67 3.036 5.720 -38.389 1.00 25.33 H new ATOM 1050 N PRO A 68 6.957 3.562 -41.546 1.00 51.41 N ATOM 1051 CA PRO A 68 7.349 2.742 -42.696 1.00 21.43 C ATOM 1052 C PRO A 68 6.719 1.353 -42.659 1.00 4.44 C ATOM 1053 O PRO A 68 6.505 0.786 -41.586 1.00 54.25 O ATOM 1054 CB PRO A 68 8.870 2.643 -42.558 1.00 64.51 C ATOM 1055 CG PRO A 68 9.133 2.837 -41.105 1.00 11.43 C ATOM 1056 CD PRO A 68 8.077 3.790 -40.617 1.00 55.22 C ATOM 0 HA PRO A 68 7.020 3.178 -43.639 1.00 21.43 H new ATOM 0 HB2 PRO A 68 9.236 1.675 -42.901 1.00 64.51 H new ATOM 0 HB3 PRO A 68 9.372 3.404 -43.156 1.00 64.51 H new ATOM 0 HG2 PRO A 68 9.081 1.889 -40.569 1.00 11.43 H new ATOM 0 HG3 PRO A 68 10.131 3.243 -40.940 1.00 11.43 H new ATOM 0 HD2 PRO A 68 7.793 3.581 -39.586 1.00 55.22 H new ATOM 0 HD3 PRO A 68 8.422 4.823 -40.649 1.00 55.22 H new ATOM 1064 N LEU A 69 6.426 0.811 -43.835 1.00 32.50 N ATOM 1065 CA LEU A 69 5.821 -0.513 -43.937 1.00 53.12 C ATOM 1066 C LEU A 69 6.771 -1.495 -44.614 1.00 22.52 C ATOM 1067 O LEU A 69 6.337 -2.442 -45.269 1.00 33.22 O ATOM 1068 CB LEU A 69 4.508 -0.436 -44.718 1.00 54.02 C ATOM 1069 CG LEU A 69 3.554 0.691 -44.319 1.00 21.32 C ATOM 1070 CD1 LEU A 69 3.834 1.942 -45.137 1.00 22.05 C ATOM 1071 CD2 LEU A 69 2.107 0.251 -44.491 1.00 45.44 C ATOM 0 H LEU A 69 6.597 1.267 -44.731 1.00 32.50 H new ATOM 0 HA LEU A 69 5.617 -0.871 -42.928 1.00 53.12 H new ATOM 0 HB2 LEU A 69 4.744 -0.327 -45.777 1.00 54.02 H new ATOM 0 HB3 LEU A 69 3.985 -1.385 -44.604 1.00 54.02 H new ATOM 0 HG LEU A 69 3.719 0.925 -43.267 1.00 21.32 H new ATOM 0 HD11 LEU A 69 3.146 2.733 -44.839 1.00 22.05 H new ATOM 0 HD12 LEU A 69 4.859 2.269 -44.963 1.00 22.05 H new ATOM 0 HD13 LEU A 69 3.698 1.722 -46.196 1.00 22.05 H new ATOM 0 HD21 LEU A 69 1.442 1.065 -44.202 1.00 45.44 H new ATOM 0 HD22 LEU A 69 1.928 -0.011 -45.534 1.00 45.44 H new ATOM 0 HD23 LEU A 69 1.913 -0.616 -43.860 1.00 45.44 H new ATOM 1083 N GLU A 70 8.070 -1.264 -44.448 1.00 72.03 N ATOM 1084 CA GLU A 70 9.081 -2.130 -45.042 1.00 62.34 C ATOM 1085 C GLU A 70 9.085 -3.501 -44.372 1.00 61.20 C ATOM 1086 O GLU A 70 9.078 -4.532 -45.045 1.00 2.44 O ATOM 1087 CB GLU A 70 10.466 -1.489 -44.926 1.00 33.51 C ATOM 1088 CG GLU A 70 11.593 -2.383 -45.414 1.00 62.35 C ATOM 1089 CD GLU A 70 11.376 -2.874 -46.833 1.00 33.14 C ATOM 1090 OE1 GLU A 70 11.233 -2.026 -47.738 1.00 45.31 O ATOM 1091 OE2 GLU A 70 11.347 -4.106 -47.037 1.00 44.41 O ATOM 0 H GLU A 70 8.446 -0.485 -43.908 1.00 72.03 H new ATOM 0 HA GLU A 70 8.836 -2.261 -46.096 1.00 62.34 H new ATOM 0 HB2 GLU A 70 10.476 -0.561 -45.497 1.00 33.51 H new ATOM 0 HB3 GLU A 70 10.649 -1.224 -43.885 1.00 33.51 H new ATOM 0 HG2 GLU A 70 12.534 -1.835 -45.363 1.00 62.35 H new ATOM 0 HG3 GLU A 70 11.686 -3.240 -44.747 1.00 62.35 H new TER 1098 GLU A 70