USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 574 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 2 ASN : amide:sc= -0.0128 K(o=-0.17,f=-2.9) USER MOD Set 1.2: A 8 MET CE :methyl 153:sc= -0.159 (180deg=-0.786) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -100:sc= 0.709 USER MOD Single : A -4 LYS NZ :NH3+ -165:sc= -0.0255 (180deg=-0.304) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ 152:sc= 1.26 (180deg=0.911) USER MOD Single : A 10 SER OG : rot 180:sc=-0.00208 USER MOD Single : A 14 THR OG1 : rot 22:sc= 0.729 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.014) USER MOD Single : A 20 SER OG : rot 84:sc= 1.21 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00689 K(o=-0.0069,f=-0.92) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -19:sc= 1.22 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 172:sc= 0 (180deg=-0.0685) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -92:sc= 0.392 USER MOD Single : A 62 LYS NZ :NH3+ -170:sc= -0.0129 (180deg=-0.13) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -23.934 -19.148 34.555 1.00 20.00 N ATOM 2 CA MET A -7 -22.511 -19.429 34.249 1.00 20.00 C ATOM 3 C MET A -7 -21.749 -18.130 34.020 1.00 20.00 C ATOM 4 O MET A -7 -20.810 -17.810 34.752 1.00 20.00 O ATOM 5 CB MET A -7 -22.383 -20.325 33.008 1.00 20.00 C ATOM 6 CG MET A -7 -22.872 -21.752 33.210 1.00 20.00 C ATOM 7 SD MET A -7 -24.636 -21.853 33.570 1.00 20.00 S ATOM 8 CE MET A -7 -24.843 -23.621 33.757 1.00 20.00 C ATOM 0 H1 MET A -7 -24.520 -19.951 34.250 1.00 20.00 H new ATOM 0 H2 MET A -7 -24.047 -19.006 35.579 1.00 20.00 H new ATOM 0 H3 MET A -7 -24.235 -18.289 34.051 1.00 20.00 H new ATOM 0 HA MET A -7 -22.083 -19.951 35.105 1.00 20.00 H new ATOM 0 HB2 MET A -7 -22.944 -19.874 32.190 1.00 20.00 H new ATOM 0 HB3 MET A -7 -21.338 -20.352 32.701 1.00 20.00 H new ATOM 0 HG2 MET A -7 -22.657 -22.333 32.314 1.00 20.00 H new ATOM 0 HG3 MET A -7 -22.314 -22.208 34.028 1.00 20.00 H new ATOM 0 HE1 MET A -7 -25.886 -23.843 33.983 1.00 20.00 H new ATOM 0 HE2 MET A -7 -24.558 -24.121 32.831 1.00 20.00 H new ATOM 0 HE3 MET A -7 -24.211 -23.977 34.571 1.00 20.00 H new ATOM 20 N ASP A -6 -22.156 -17.386 33.002 1.00 20.00 N ATOM 21 CA ASP A -6 -21.512 -16.125 32.665 1.00 20.00 C ATOM 22 C ASP A -6 -22.513 -15.219 31.959 1.00 20.00 C ATOM 23 O ASP A -6 -23.067 -15.588 30.923 1.00 20.00 O ATOM 24 CB ASP A -6 -20.291 -16.376 31.769 1.00 20.00 C ATOM 25 CG ASP A -6 -19.441 -15.138 31.560 1.00 20.00 C ATOM 26 OD1 ASP A -6 -18.860 -14.641 32.548 1.00 20.00 O ATOM 27 OD2 ASP A -6 -19.319 -14.677 30.405 1.00 20.00 O ATOM 0 H ASP A -6 -22.934 -17.636 32.392 1.00 20.00 H new ATOM 0 HA ASP A -6 -21.171 -15.637 33.578 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -19.677 -17.160 32.213 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -20.628 -16.745 30.801 1.00 20.00 H new ATOM 32 N TYR A -5 -22.763 -14.046 32.525 1.00 20.00 N ATOM 33 CA TYR A -5 -23.768 -13.148 31.972 1.00 20.00 C ATOM 34 C TYR A -5 -23.151 -12.201 30.952 1.00 20.00 C ATOM 35 O TYR A -5 -21.926 -12.080 30.871 1.00 20.00 O ATOM 36 CB TYR A -5 -24.478 -12.357 33.086 1.00 20.00 C ATOM 37 CG TYR A -5 -23.559 -11.530 33.962 1.00 20.00 C ATOM 38 CD1 TYR A -5 -23.114 -10.279 33.552 1.00 20.00 C ATOM 39 CD2 TYR A -5 -23.146 -11.996 35.203 1.00 20.00 C ATOM 40 CE1 TYR A -5 -22.283 -9.520 34.351 1.00 20.00 C ATOM 41 CE2 TYR A -5 -22.314 -11.242 36.008 1.00 20.00 C ATOM 42 CZ TYR A -5 -21.886 -10.006 35.577 1.00 20.00 C ATOM 43 OH TYR A -5 -21.059 -9.247 36.379 1.00 20.00 O ATOM 0 H TYR A -5 -22.289 -13.696 33.358 1.00 20.00 H new ATOM 0 HA TYR A -5 -24.514 -13.759 31.463 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -25.215 -11.696 32.630 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -25.026 -13.057 33.717 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -23.424 -9.894 32.592 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -23.481 -12.964 35.545 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -21.946 -8.550 34.017 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -22.001 -11.620 36.970 1.00 20.00 H new ATOM 0 HH TYR A -5 -20.874 -9.732 37.210 1.00 20.00 H new ATOM 53 N LYS A -4 -24.018 -11.546 30.175 1.00 20.00 N ATOM 54 CA LYS A -4 -23.616 -10.580 29.145 1.00 20.00 C ATOM 55 C LYS A -4 -23.062 -11.283 27.902 1.00 20.00 C ATOM 56 O LYS A -4 -23.427 -10.944 26.778 1.00 20.00 O ATOM 57 CB LYS A -4 -22.609 -9.567 29.699 1.00 20.00 C ATOM 58 CG LYS A -4 -22.269 -8.453 28.726 1.00 20.00 C ATOM 59 CD LYS A -4 -21.316 -7.448 29.345 1.00 20.00 C ATOM 60 CE LYS A -4 -20.921 -6.373 28.348 1.00 20.00 C ATOM 61 NZ LYS A -4 -20.185 -6.938 27.189 1.00 20.00 N ATOM 0 H LYS A -4 -25.028 -11.671 30.243 1.00 20.00 H new ATOM 0 HA LYS A -4 -24.510 -10.034 28.843 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -23.012 -9.130 30.613 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -21.693 -10.091 29.973 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -21.820 -8.877 27.828 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -23.183 -7.947 28.417 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -21.785 -6.986 30.214 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -20.423 -7.962 29.701 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -21.815 -5.859 27.995 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -20.300 -5.628 28.845 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -19.716 -6.170 26.668 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -19.470 -7.613 27.527 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -20.852 -7.427 26.559 1.00 20.00 H new ATOM 75 N ASP A -3 -22.188 -12.258 28.101 1.00 20.00 N ATOM 76 CA ASP A -3 -21.674 -13.059 26.994 1.00 20.00 C ATOM 77 C ASP A -3 -22.363 -14.417 26.985 1.00 20.00 C ATOM 78 O ASP A -3 -22.133 -15.241 27.869 1.00 20.00 O ATOM 79 CB ASP A -3 -20.156 -13.239 27.115 1.00 20.00 C ATOM 80 CG ASP A -3 -19.572 -14.071 25.988 1.00 20.00 C ATOM 81 OD1 ASP A -3 -19.246 -13.500 24.923 1.00 20.00 O ATOM 82 OD2 ASP A -3 -19.419 -15.298 26.163 1.00 20.00 O ATOM 0 H ASP A -3 -21.819 -12.515 29.016 1.00 20.00 H new ATOM 0 HA ASP A -3 -21.883 -12.541 26.058 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -19.678 -12.260 27.123 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -19.926 -13.714 28.069 1.00 20.00 H new ATOM 87 N ASP A -2 -23.224 -14.645 26.003 1.00 20.00 N ATOM 88 CA ASP A -2 -23.993 -15.885 25.954 1.00 20.00 C ATOM 89 C ASP A -2 -23.282 -16.943 25.120 1.00 20.00 C ATOM 90 O ASP A -2 -22.857 -17.972 25.645 1.00 20.00 O ATOM 91 CB ASP A -2 -25.401 -15.642 25.404 1.00 20.00 C ATOM 92 CG ASP A -2 -26.258 -16.894 25.445 1.00 20.00 C ATOM 93 OD1 ASP A -2 -26.717 -17.272 26.543 1.00 20.00 O ATOM 94 OD2 ASP A -2 -26.484 -17.506 24.381 1.00 20.00 O ATOM 0 H ASP A -2 -23.408 -13.997 25.237 1.00 20.00 H new ATOM 0 HA ASP A -2 -24.079 -16.252 26.977 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -25.884 -14.854 25.982 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -25.331 -15.285 24.376 1.00 20.00 H new ATOM 99 N ASP A -1 -23.139 -16.689 23.827 1.00 20.00 N ATOM 100 CA ASP A -1 -22.507 -17.658 22.936 1.00 20.00 C ATOM 101 C ASP A -1 -21.388 -17.010 22.127 1.00 20.00 C ATOM 102 O ASP A -1 -21.398 -15.804 21.875 1.00 20.00 O ATOM 103 CB ASP A -1 -23.544 -18.290 21.998 1.00 20.00 C ATOM 104 CG ASP A -1 -23.941 -17.385 20.850 1.00 20.00 C ATOM 105 OD1 ASP A -1 -24.832 -16.531 21.032 1.00 20.00 O ATOM 106 OD2 ASP A -1 -23.379 -17.544 19.751 1.00 20.00 O ATOM 0 H ASP A -1 -23.448 -15.830 23.373 1.00 20.00 H new ATOM 0 HA ASP A -1 -22.071 -18.444 23.553 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -23.142 -19.220 21.596 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -24.434 -18.549 22.572 1.00 20.00 H new ATOM 111 N ASP A 0 -20.417 -17.824 21.734 1.00 20.00 N ATOM 112 CA ASP A 0 -19.235 -17.343 21.022 1.00 20.00 C ATOM 113 C ASP A 0 -19.448 -17.376 19.509 1.00 20.00 C ATOM 114 O ASP A 0 -18.613 -16.903 18.737 1.00 20.00 O ATOM 115 CB ASP A 0 -18.017 -18.186 21.412 1.00 20.00 C ATOM 116 CG ASP A 0 -16.744 -17.744 20.718 1.00 20.00 C ATOM 117 OD1 ASP A 0 -16.151 -16.729 21.142 1.00 20.00 O ATOM 118 OD2 ASP A 0 -16.325 -18.414 19.748 1.00 20.00 O ATOM 0 H ASP A 0 -20.424 -18.831 21.897 1.00 20.00 H new ATOM 0 HA ASP A 0 -19.059 -16.306 21.308 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -17.874 -18.130 22.491 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -18.212 -19.231 21.170 1.00 20.00 H new ATOM 123 N LYS A 1 -20.583 -17.911 19.088 1.00 20.00 N ATOM 124 CA LYS A 1 -20.878 -18.032 17.666 1.00 20.00 C ATOM 125 C LYS A 1 -21.410 -16.708 17.121 1.00 20.00 C ATOM 126 O LYS A 1 -21.674 -16.567 15.926 1.00 20.00 O ATOM 127 CB LYS A 1 -21.865 -19.174 17.423 1.00 20.00 C ATOM 128 CG LYS A 1 -21.289 -20.539 17.781 1.00 20.00 C ATOM 129 CD LYS A 1 -22.310 -21.649 17.613 1.00 20.00 C ATOM 130 CE LYS A 1 -21.704 -23.011 17.922 1.00 20.00 C ATOM 131 NZ LYS A 1 -22.704 -24.106 17.811 1.00 20.00 N ATOM 0 H LYS A 1 -21.313 -18.267 19.705 1.00 20.00 H new ATOM 0 HA LYS A 1 -19.958 -18.268 17.131 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -22.767 -19.000 18.010 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -22.163 -19.174 16.374 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -20.424 -20.744 17.151 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -20.936 -20.524 18.812 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -23.158 -21.468 18.273 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -22.693 -21.642 16.592 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -20.878 -23.204 17.237 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -21.287 -23.002 18.929 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -22.249 -25.015 18.030 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -23.480 -23.937 18.483 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -23.084 -24.133 16.843 1.00 20.00 H new ATOM 145 N ASN A 2 -21.562 -15.744 18.015 1.00 20.00 N ATOM 146 CA ASN A 2 -21.877 -14.376 17.639 1.00 20.00 C ATOM 147 C ASN A 2 -20.745 -13.464 18.092 1.00 20.00 C ATOM 148 O ASN A 2 -20.727 -12.994 19.233 1.00 20.00 O ATOM 149 CB ASN A 2 -23.209 -13.932 18.254 1.00 20.00 C ATOM 150 CG ASN A 2 -24.404 -14.602 17.601 1.00 20.00 C ATOM 151 OD1 ASN A 2 -24.969 -14.090 16.633 1.00 20.00 O ATOM 152 ND2 ASN A 2 -24.794 -15.759 18.112 1.00 20.00 N ATOM 0 H ASN A 2 -21.470 -15.888 19.021 1.00 20.00 H new ATOM 0 HA ASN A 2 -21.980 -14.316 16.556 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -23.207 -14.160 19.320 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -23.306 -12.851 18.159 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -25.586 -16.256 17.704 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -24.303 -16.154 18.914 1.00 20.00 H new ATOM 159 N ARG A 3 -19.781 -13.251 17.207 1.00 20.00 N ATOM 160 CA ARG A 3 -18.592 -12.481 17.545 1.00 20.00 C ATOM 161 C ARG A 3 -18.927 -11.004 17.736 1.00 20.00 C ATOM 162 O ARG A 3 -19.612 -10.395 16.914 1.00 20.00 O ATOM 163 CB ARG A 3 -17.498 -12.657 16.480 1.00 20.00 C ATOM 164 CG ARG A 3 -17.839 -12.095 15.104 1.00 20.00 C ATOM 165 CD ARG A 3 -16.725 -12.376 14.106 1.00 20.00 C ATOM 166 NE ARG A 3 -16.997 -11.798 12.791 1.00 20.00 N ATOM 167 CZ ARG A 3 -16.435 -12.220 11.658 1.00 20.00 C ATOM 168 NH1 ARG A 3 -15.590 -13.246 11.670 1.00 20.00 N ATOM 169 NH2 ARG A 3 -16.724 -11.622 10.509 1.00 20.00 N ATOM 0 H ARG A 3 -19.799 -13.601 16.249 1.00 20.00 H new ATOM 0 HA ARG A 3 -18.209 -12.864 18.491 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -16.586 -12.177 16.835 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -17.280 -13.720 16.377 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -18.770 -12.536 14.748 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -18.003 -11.020 15.177 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -15.787 -11.974 14.490 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -16.593 -13.453 14.006 1.00 20.00 H new ATOM 0 HE ARG A 3 -17.658 -11.023 12.737 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -15.369 -13.714 12.549 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -15.163 -13.565 10.800 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -17.377 -10.838 10.492 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -16.293 -11.946 9.643 1.00 20.00 H new ATOM 183 N ALA A 4 -18.437 -10.438 18.833 1.00 20.00 N ATOM 184 CA ALA A 4 -18.708 -9.044 19.169 1.00 20.00 C ATOM 185 C ALA A 4 -17.842 -8.095 18.350 1.00 20.00 C ATOM 186 O ALA A 4 -18.029 -6.880 18.386 1.00 20.00 O ATOM 187 CB ALA A 4 -18.482 -8.811 20.652 1.00 20.00 C ATOM 0 H ALA A 4 -17.847 -10.925 19.508 1.00 20.00 H new ATOM 0 HA ALA A 4 -19.751 -8.837 18.928 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -18.687 -7.768 20.892 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -19.149 -9.453 21.227 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -17.447 -9.045 20.903 1.00 20.00 H new ATOM 193 N LEU A 5 -16.899 -8.656 17.607 1.00 20.00 N ATOM 194 CA LEU A 5 -15.991 -7.859 16.791 1.00 20.00 C ATOM 195 C LEU A 5 -16.594 -7.623 15.410 1.00 20.00 C ATOM 196 O LEU A 5 -15.910 -7.696 14.389 1.00 20.00 O ATOM 197 CB LEU A 5 -14.619 -8.541 16.665 1.00 20.00 C ATOM 198 CG LEU A 5 -13.795 -8.664 17.963 1.00 20.00 C ATOM 199 CD1 LEU A 5 -13.707 -7.326 18.686 1.00 20.00 C ATOM 200 CD2 LEU A 5 -14.367 -9.733 18.885 1.00 20.00 C ATOM 0 H LEU A 5 -16.742 -9.662 17.552 1.00 20.00 H new ATOM 0 HA LEU A 5 -15.846 -6.897 17.283 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -14.770 -9.541 16.260 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -14.028 -7.988 15.936 1.00 20.00 H new ATOM 0 HG LEU A 5 -12.787 -8.967 17.681 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -13.120 -7.443 19.597 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -13.228 -6.593 18.037 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -14.710 -6.984 18.941 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -13.763 -9.794 19.790 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -15.392 -9.475 19.150 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -14.356 -10.697 18.376 1.00 20.00 H new ATOM 212 N SER A 6 -17.887 -7.358 15.397 1.00 20.00 N ATOM 213 CA SER A 6 -18.621 -7.081 14.178 1.00 20.00 C ATOM 214 C SER A 6 -19.830 -6.215 14.509 1.00 20.00 C ATOM 215 O SER A 6 -20.442 -6.386 15.565 1.00 20.00 O ATOM 216 CB SER A 6 -19.068 -8.390 13.518 1.00 20.00 C ATOM 217 OG SER A 6 -17.955 -9.215 13.210 1.00 20.00 O ATOM 0 H SER A 6 -18.461 -7.329 16.239 1.00 20.00 H new ATOM 0 HA SER A 6 -17.976 -6.550 13.479 1.00 20.00 H new ATOM 0 HB2 SER A 6 -19.746 -8.923 14.184 1.00 20.00 H new ATOM 0 HB3 SER A 6 -19.624 -8.170 12.607 1.00 20.00 H new ATOM 0 HG SER A 6 -17.735 -9.126 12.259 1.00 20.00 H new ATOM 223 N PRO A 7 -20.172 -5.256 13.636 1.00 20.00 N ATOM 224 CA PRO A 7 -21.320 -4.370 13.848 1.00 20.00 C ATOM 225 C PRO A 7 -22.654 -5.089 13.648 1.00 20.00 C ATOM 226 O PRO A 7 -23.368 -4.849 12.670 1.00 20.00 O ATOM 227 CB PRO A 7 -21.130 -3.278 12.792 1.00 20.00 C ATOM 228 CG PRO A 7 -20.333 -3.926 11.712 1.00 20.00 C ATOM 229 CD PRO A 7 -19.459 -4.952 12.382 1.00 20.00 C ATOM 0 HA PRO A 7 -21.357 -3.988 14.868 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -22.089 -2.921 12.416 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -20.608 -2.415 13.205 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -20.986 -4.394 10.976 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -19.730 -3.190 11.181 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -19.340 -5.842 11.764 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -18.460 -4.562 12.574 1.00 20.00 H new ATOM 237 N MET A 8 -22.992 -5.960 14.587 1.00 20.00 N ATOM 238 CA MET A 8 -24.231 -6.723 14.515 1.00 20.00 C ATOM 239 C MET A 8 -25.348 -5.974 15.226 1.00 20.00 C ATOM 240 O MET A 8 -25.977 -6.485 16.155 1.00 20.00 O ATOM 241 CB MET A 8 -24.056 -8.124 15.115 1.00 20.00 C ATOM 242 CG MET A 8 -23.140 -9.031 14.300 1.00 20.00 C ATOM 243 SD MET A 8 -23.020 -10.701 14.975 1.00 20.00 S ATOM 244 CE MET A 8 -24.725 -11.245 14.855 1.00 20.00 C ATOM 0 H MET A 8 -22.424 -6.157 15.411 1.00 20.00 H new ATOM 0 HA MET A 8 -24.497 -6.842 13.465 1.00 20.00 H new ATOM 0 HB2 MET A 8 -23.655 -8.030 16.124 1.00 20.00 H new ATOM 0 HB3 MET A 8 -25.034 -8.596 15.204 1.00 20.00 H new ATOM 0 HG2 MET A 8 -23.509 -9.085 13.276 1.00 20.00 H new ATOM 0 HG3 MET A 8 -22.144 -8.590 14.258 1.00 20.00 H new ATOM 0 HE1 MET A 8 -24.755 -12.331 14.764 1.00 20.00 H new ATOM 0 HE2 MET A 8 -25.268 -10.941 15.750 1.00 20.00 H new ATOM 0 HE3 MET A 8 -25.190 -10.794 13.978 1.00 20.00 H new ATOM 254 N VAL A 9 -25.577 -4.752 14.780 1.00 20.00 N ATOM 255 CA VAL A 9 -26.623 -3.909 15.333 1.00 20.00 C ATOM 256 C VAL A 9 -27.711 -3.695 14.292 1.00 20.00 C ATOM 257 O VAL A 9 -27.584 -4.168 13.158 1.00 20.00 O ATOM 258 CB VAL A 9 -26.076 -2.539 15.800 1.00 20.00 C ATOM 259 CG1 VAL A 9 -25.077 -2.713 16.933 1.00 20.00 C ATOM 260 CG2 VAL A 9 -25.441 -1.785 14.642 1.00 20.00 C ATOM 0 H VAL A 9 -25.045 -4.316 14.026 1.00 20.00 H new ATOM 0 HA VAL A 9 -27.032 -4.419 16.205 1.00 20.00 H new ATOM 0 HB VAL A 9 -26.916 -1.952 16.171 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -24.706 -1.736 17.244 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -25.565 -3.202 17.776 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -24.243 -3.326 16.592 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -25.064 -0.825 14.996 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -24.617 -2.371 14.235 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -26.186 -1.618 13.864 1.00 20.00 H new ATOM 270 N SER A 10 -28.773 -2.995 14.686 1.00 20.00 N ATOM 271 CA SER A 10 -29.898 -2.710 13.800 1.00 20.00 C ATOM 272 C SER A 10 -30.689 -3.990 13.518 1.00 20.00 C ATOM 273 O SER A 10 -30.284 -5.090 13.907 1.00 20.00 O ATOM 274 CB SER A 10 -29.401 -2.064 12.494 1.00 20.00 C ATOM 275 OG SER A 10 -30.468 -1.500 11.745 1.00 20.00 O ATOM 0 H SER A 10 -28.877 -2.611 15.625 1.00 20.00 H new ATOM 0 HA SER A 10 -30.565 -2.002 14.292 1.00 20.00 H new ATOM 0 HB2 SER A 10 -28.671 -1.289 12.727 1.00 20.00 H new ATOM 0 HB3 SER A 10 -28.889 -2.813 11.890 1.00 20.00 H new ATOM 0 HG SER A 10 -30.115 -1.098 10.924 1.00 20.00 H new ATOM 281 N GLU A 11 -31.826 -3.839 12.865 1.00 20.00 N ATOM 282 CA GLU A 11 -32.687 -4.969 12.570 1.00 20.00 C ATOM 283 C GLU A 11 -32.421 -5.479 11.166 1.00 20.00 C ATOM 284 O GLU A 11 -32.008 -4.722 10.286 1.00 20.00 O ATOM 285 CB GLU A 11 -34.154 -4.571 12.719 1.00 20.00 C ATOM 286 CG GLU A 11 -34.515 -4.111 14.119 1.00 20.00 C ATOM 287 CD GLU A 11 -35.953 -3.667 14.227 1.00 20.00 C ATOM 288 OE1 GLU A 11 -36.846 -4.540 14.265 1.00 20.00 O ATOM 289 OE2 GLU A 11 -36.196 -2.446 14.271 1.00 20.00 O ATOM 0 H GLU A 11 -32.176 -2.942 12.528 1.00 20.00 H new ATOM 0 HA GLU A 11 -32.469 -5.768 13.279 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -34.379 -3.772 12.013 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -34.782 -5.420 12.450 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -34.335 -4.923 14.823 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -33.861 -3.288 14.408 1.00 20.00 H new ATOM 296 N PHE A 12 -32.657 -6.763 10.958 1.00 20.00 N ATOM 297 CA PHE A 12 -32.431 -7.383 9.662 1.00 20.00 C ATOM 298 C PHE A 12 -33.673 -7.241 8.789 1.00 20.00 C ATOM 299 O PHE A 12 -34.163 -8.214 8.207 1.00 20.00 O ATOM 300 CB PHE A 12 -32.064 -8.855 9.845 1.00 20.00 C ATOM 301 CG PHE A 12 -30.908 -9.068 10.786 1.00 20.00 C ATOM 302 CD1 PHE A 12 -29.629 -8.665 10.437 1.00 20.00 C ATOM 303 CD2 PHE A 12 -31.102 -9.670 12.023 1.00 20.00 C ATOM 304 CE1 PHE A 12 -28.567 -8.856 11.300 1.00 20.00 C ATOM 305 CE2 PHE A 12 -30.042 -9.864 12.888 1.00 20.00 C ATOM 306 CZ PHE A 12 -28.773 -9.456 12.526 1.00 20.00 C ATOM 0 H PHE A 12 -33.007 -7.400 11.674 1.00 20.00 H new ATOM 0 HA PHE A 12 -31.602 -6.879 9.164 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -32.933 -9.395 10.220 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -31.817 -9.284 8.874 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -29.460 -8.196 9.479 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -32.092 -9.990 12.312 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -27.576 -8.536 11.015 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -30.206 -10.334 13.846 1.00 20.00 H new ATOM 0 HZ PHE A 12 -27.943 -9.606 13.201 1.00 20.00 H new ATOM 316 N GLU A 13 -34.173 -6.020 8.720 1.00 20.00 N ATOM 317 CA GLU A 13 -35.372 -5.703 7.969 1.00 20.00 C ATOM 318 C GLU A 13 -35.293 -4.261 7.492 1.00 20.00 C ATOM 319 O GLU A 13 -34.789 -3.402 8.219 1.00 20.00 O ATOM 320 CB GLU A 13 -36.606 -5.900 8.847 1.00 20.00 C ATOM 321 CG GLU A 13 -37.921 -5.615 8.146 1.00 20.00 C ATOM 322 CD GLU A 13 -39.102 -5.754 9.079 1.00 20.00 C ATOM 323 OE1 GLU A 13 -39.353 -4.818 9.865 1.00 20.00 O ATOM 324 OE2 GLU A 13 -39.774 -6.808 9.045 1.00 20.00 O ATOM 0 H GLU A 13 -33.754 -5.216 9.187 1.00 20.00 H new ATOM 0 HA GLU A 13 -35.450 -6.367 7.108 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -36.617 -6.927 9.213 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -36.524 -5.252 9.719 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -37.901 -4.606 7.734 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -38.040 -6.300 7.306 1.00 20.00 H new ATOM 331 N THR A 14 -35.793 -4.011 6.279 1.00 20.00 N ATOM 332 CA THR A 14 -35.713 -2.697 5.622 1.00 20.00 C ATOM 333 C THR A 14 -34.276 -2.180 5.549 1.00 20.00 C ATOM 334 O THR A 14 -33.346 -2.836 6.014 1.00 20.00 O ATOM 335 CB THR A 14 -36.643 -1.634 6.271 1.00 20.00 C ATOM 336 OG1 THR A 14 -36.490 -1.599 7.697 1.00 20.00 O ATOM 337 CG2 THR A 14 -38.096 -1.913 5.924 1.00 20.00 C ATOM 0 H THR A 14 -36.269 -4.718 5.718 1.00 20.00 H new ATOM 0 HA THR A 14 -36.071 -2.858 4.605 1.00 20.00 H new ATOM 0 HB THR A 14 -36.354 -0.663 5.870 1.00 20.00 H new ATOM 0 HG1 THR A 14 -35.623 -1.983 7.942 1.00 20.00 H new ATOM 0 HG21 THR A 14 -38.732 -1.159 6.387 1.00 20.00 H new ATOM 0 HG22 THR A 14 -38.224 -1.881 4.842 1.00 20.00 H new ATOM 0 HG23 THR A 14 -38.375 -2.900 6.294 1.00 20.00 H new ATOM 345 N ILE A 15 -34.097 -1.015 4.935 1.00 20.00 N ATOM 346 CA ILE A 15 -32.771 -0.436 4.746 1.00 20.00 C ATOM 347 C ILE A 15 -31.942 -1.336 3.826 1.00 20.00 C ATOM 348 O ILE A 15 -31.060 -2.082 4.271 1.00 20.00 O ATOM 349 CB ILE A 15 -32.036 -0.226 6.089 1.00 20.00 C ATOM 350 CG1 ILE A 15 -32.913 0.574 7.056 1.00 20.00 C ATOM 351 CG2 ILE A 15 -30.714 0.490 5.861 1.00 20.00 C ATOM 352 CD1 ILE A 15 -32.331 0.693 8.447 1.00 20.00 C ATOM 0 H ILE A 15 -34.858 -0.450 4.558 1.00 20.00 H new ATOM 0 HA ILE A 15 -32.896 0.545 4.287 1.00 20.00 H new ATOM 0 HB ILE A 15 -31.832 -1.202 6.530 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -33.068 1.574 6.650 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -33.893 0.101 7.121 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -30.207 0.631 6.816 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -30.085 -0.108 5.201 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -30.901 1.461 5.402 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -33.007 1.272 9.076 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -32.202 -0.302 8.874 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -31.364 1.194 8.395 1.00 20.00 H new ATOM 364 N GLU A 16 -32.232 -1.250 2.535 1.00 20.00 N ATOM 365 CA GLU A 16 -31.642 -2.143 1.544 1.00 20.00 C ATOM 366 C GLU A 16 -30.120 -2.028 1.514 1.00 20.00 C ATOM 367 O GLU A 16 -29.430 -3.012 1.255 1.00 20.00 O ATOM 368 CB GLU A 16 -32.220 -1.874 0.148 1.00 20.00 C ATOM 369 CG GLU A 16 -31.900 -0.496 -0.417 1.00 20.00 C ATOM 370 CD GLU A 16 -32.391 -0.325 -1.841 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.631 -0.646 -2.779 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.537 0.135 -2.031 1.00 20.00 O ATOM 0 H GLU A 16 -32.879 -0.564 2.146 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.897 -3.161 1.839 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.842 -2.631 -0.539 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -33.303 -1.993 0.188 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.355 0.267 0.215 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -30.822 -0.335 -0.386 1.00 20.00 H new ATOM 379 N GLN A 17 -29.601 -0.838 1.800 1.00 20.00 N ATOM 380 CA GLN A 17 -28.159 -0.610 1.758 1.00 20.00 C ATOM 381 C GLN A 17 -27.438 -1.494 2.771 1.00 20.00 C ATOM 382 O GLN A 17 -26.428 -2.121 2.453 1.00 20.00 O ATOM 383 CB GLN A 17 -27.816 0.862 2.012 1.00 20.00 C ATOM 384 CG GLN A 17 -28.322 1.810 0.937 1.00 20.00 C ATOM 385 CD GLN A 17 -27.755 3.209 1.092 1.00 20.00 C ATOM 386 OE1 GLN A 17 -28.319 4.045 1.799 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.643 3.479 0.425 1.00 20.00 N ATOM 0 H GLN A 17 -30.152 -0.021 2.062 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.819 -0.872 0.756 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -28.235 1.161 2.972 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.734 0.964 2.091 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.055 1.419 -0.045 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -29.410 1.855 0.977 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.206 2.759 -0.150 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -26.224 4.407 0.487 1.00 20.00 H new ATOM 396 N GLU A 18 -27.974 -1.571 3.979 1.00 20.00 N ATOM 397 CA GLU A 18 -27.366 -2.379 5.025 1.00 20.00 C ATOM 398 C GLU A 18 -27.702 -3.849 4.825 1.00 20.00 C ATOM 399 O GLU A 18 -26.884 -4.728 5.101 1.00 20.00 O ATOM 400 CB GLU A 18 -27.821 -1.908 6.408 1.00 20.00 C ATOM 401 CG GLU A 18 -27.292 -0.533 6.785 1.00 20.00 C ATOM 402 CD GLU A 18 -25.779 -0.496 6.864 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.124 -0.347 5.814 1.00 20.00 O ATOM 404 OE2 GLU A 18 -25.236 -0.613 7.982 1.00 20.00 O ATOM 0 H GLU A 18 -28.826 -1.086 4.259 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.284 -2.260 4.963 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.910 -1.890 6.437 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.495 -2.632 7.155 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.632 0.198 6.051 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.710 -0.237 7.747 1.00 20.00 H new ATOM 411 N ASN A 19 -28.899 -4.110 4.312 1.00 20.00 N ATOM 412 CA ASN A 19 -29.338 -5.480 4.057 1.00 20.00 C ATOM 413 C ASN A 19 -28.529 -6.113 2.931 1.00 20.00 C ATOM 414 O ASN A 19 -28.462 -7.331 2.824 1.00 20.00 O ATOM 415 CB ASN A 19 -30.833 -5.537 3.720 1.00 20.00 C ATOM 416 CG ASN A 19 -31.727 -5.393 4.940 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.831 -5.934 4.979 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.261 -4.668 5.943 1.00 20.00 N ATOM 0 H ASN A 19 -29.582 -3.394 4.065 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.170 -6.047 4.973 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.069 -4.745 3.009 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.052 -6.484 3.227 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.822 -4.542 6.785 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.340 -4.234 5.874 1.00 20.00 H new ATOM 425 N SER A 20 -27.904 -5.281 2.103 1.00 20.00 N ATOM 426 CA SER A 20 -27.051 -5.778 1.028 1.00 20.00 C ATOM 427 C SER A 20 -25.833 -6.502 1.598 1.00 20.00 C ATOM 428 O SER A 20 -25.364 -7.493 1.034 1.00 20.00 O ATOM 429 CB SER A 20 -26.609 -4.628 0.119 1.00 20.00 C ATOM 430 OG SER A 20 -27.728 -3.993 -0.478 1.00 20.00 O ATOM 0 H SER A 20 -27.971 -4.265 2.155 1.00 20.00 H new ATOM 0 HA SER A 20 -27.628 -6.488 0.435 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.040 -3.901 0.698 1.00 20.00 H new ATOM 0 HB3 SER A 20 -25.945 -5.008 -0.657 1.00 20.00 H new ATOM 0 HG SER A 20 -28.098 -3.331 0.142 1.00 20.00 H new ATOM 436 N TYR A 21 -25.336 -6.019 2.730 1.00 20.00 N ATOM 437 CA TYR A 21 -24.204 -6.651 3.388 1.00 20.00 C ATOM 438 C TYR A 21 -24.672 -7.891 4.138 1.00 20.00 C ATOM 439 O TYR A 21 -23.985 -8.913 4.161 1.00 20.00 O ATOM 440 CB TYR A 21 -23.515 -5.671 4.343 1.00 20.00 C ATOM 441 CG TYR A 21 -22.260 -6.229 4.982 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.109 -6.432 4.230 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.223 -6.548 6.335 1.00 20.00 C ATOM 444 CE1 TYR A 21 -19.959 -6.938 4.806 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.077 -7.055 6.918 1.00 20.00 C ATOM 446 CZ TYR A 21 -19.948 -7.248 6.150 1.00 20.00 C ATOM 447 OH TYR A 21 -18.801 -7.747 6.731 1.00 20.00 O ATOM 0 H TYR A 21 -25.699 -5.195 3.209 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.478 -6.948 2.631 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.262 -4.762 3.797 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.217 -5.387 5.127 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.113 -6.190 3.177 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.105 -6.397 6.940 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.073 -7.090 4.207 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.066 -7.299 7.970 1.00 20.00 H new ATOM 0 HH TYR A 21 -18.962 -7.912 7.684 1.00 20.00 H new ATOM 457 N ASN A 22 -25.855 -7.796 4.740 1.00 20.00 N ATOM 458 CA ASN A 22 -26.468 -8.942 5.407 1.00 20.00 C ATOM 459 C ASN A 22 -26.713 -10.055 4.401 1.00 20.00 C ATOM 460 O ASN A 22 -26.483 -11.222 4.690 1.00 20.00 O ATOM 461 CB ASN A 22 -27.792 -8.558 6.082 1.00 20.00 C ATOM 462 CG ASN A 22 -27.614 -7.602 7.247 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.577 -7.596 7.910 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.639 -6.808 7.521 1.00 20.00 N ATOM 0 H ASN A 22 -26.407 -6.939 4.780 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.780 -9.286 6.179 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.450 -8.101 5.343 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.288 -9.462 6.435 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.586 -6.160 8.307 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.481 -6.845 6.946 1.00 20.00 H new ATOM 471 N GLU A 23 -27.167 -9.671 3.213 1.00 20.00 N ATOM 472 CA GLU A 23 -27.412 -10.611 2.127 1.00 20.00 C ATOM 473 C GLU A 23 -26.132 -11.367 1.778 1.00 20.00 C ATOM 474 O GLU A 23 -26.132 -12.593 1.665 1.00 20.00 O ATOM 475 CB GLU A 23 -27.928 -9.858 0.897 1.00 20.00 C ATOM 476 CG GLU A 23 -28.371 -10.761 -0.240 1.00 20.00 C ATOM 477 CD GLU A 23 -29.667 -11.477 0.058 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.630 -12.568 0.657 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.735 -10.954 -0.319 1.00 20.00 O ATOM 0 H GLU A 23 -27.375 -8.701 2.977 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.164 -11.332 2.448 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.766 -9.228 1.195 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.143 -9.194 0.535 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.489 -10.167 -1.146 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -27.592 -11.496 -0.440 1.00 20.00 H new ATOM 486 N TRP A 24 -25.044 -10.618 1.633 1.00 20.00 N ATOM 487 CA TRP A 24 -23.746 -11.184 1.281 1.00 20.00 C ATOM 488 C TRP A 24 -23.254 -12.143 2.364 1.00 20.00 C ATOM 489 O TRP A 24 -22.738 -13.223 2.069 1.00 20.00 O ATOM 490 CB TRP A 24 -22.733 -10.052 1.060 1.00 20.00 C ATOM 491 CG TRP A 24 -21.342 -10.525 0.765 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.849 -10.918 -0.445 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.263 -10.646 1.698 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.532 -11.283 -0.319 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.148 -11.125 0.987 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.131 -10.398 3.069 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -17.921 -11.360 1.597 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -18.913 -10.632 3.674 1.00 20.00 C ATOM 499 CH2 TRP A 24 -17.821 -11.109 2.939 1.00 20.00 C ATOM 0 H TRP A 24 -25.036 -9.605 1.756 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.852 -11.754 0.358 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.076 -9.428 0.235 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.710 -9.421 1.948 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.412 -10.939 -1.366 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.935 -11.618 -1.075 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -20.968 -10.030 3.644 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.077 -11.727 1.032 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -18.800 -10.444 4.732 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -16.881 -11.282 3.441 1.00 20.00 H new ATOM 510 N LEU A 25 -23.429 -11.749 3.619 1.00 20.00 N ATOM 511 CA LEU A 25 -22.977 -12.557 4.742 1.00 20.00 C ATOM 512 C LEU A 25 -23.886 -13.768 4.930 1.00 20.00 C ATOM 513 O LEU A 25 -23.425 -14.863 5.254 1.00 20.00 O ATOM 514 CB LEU A 25 -22.937 -11.704 6.017 1.00 20.00 C ATOM 515 CG LEU A 25 -22.372 -12.394 7.263 1.00 20.00 C ATOM 516 CD1 LEU A 25 -20.945 -12.868 7.020 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.421 -11.452 8.457 1.00 20.00 C ATOM 0 H LEU A 25 -23.881 -10.874 3.884 1.00 20.00 H new ATOM 0 HA LEU A 25 -21.971 -12.920 4.533 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.342 -10.813 5.817 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.950 -11.368 6.239 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.989 -13.266 7.479 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.565 -13.355 7.918 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -20.933 -13.576 6.191 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -20.314 -12.013 6.776 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.016 -11.956 9.335 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.828 -10.563 8.243 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -23.454 -11.162 8.649 1.00 20.00 H new ATOM 529 N ARG A 26 -25.177 -13.566 4.704 1.00 20.00 N ATOM 530 CA ARG A 26 -26.164 -14.631 4.822 1.00 20.00 C ATOM 531 C ARG A 26 -25.963 -15.663 3.718 1.00 20.00 C ATOM 532 O ARG A 26 -26.195 -16.854 3.919 1.00 20.00 O ATOM 533 CB ARG A 26 -27.579 -14.046 4.750 1.00 20.00 C ATOM 534 CG ARG A 26 -28.692 -15.060 4.965 1.00 20.00 C ATOM 535 CD ARG A 26 -30.061 -14.417 4.801 1.00 20.00 C ATOM 536 NE ARG A 26 -31.147 -15.353 5.082 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.407 -15.180 4.679 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.740 -14.109 3.966 1.00 20.00 N ATOM 539 NH2 ARG A 26 -33.334 -16.078 4.989 1.00 20.00 N ATOM 0 H ARG A 26 -25.569 -12.663 4.435 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.035 -15.124 5.786 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.672 -13.259 5.499 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.715 -13.577 3.776 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.584 -15.879 4.253 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.607 -15.491 5.962 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.140 -13.560 5.469 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.164 -14.039 3.784 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.928 -16.191 5.620 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.031 -13.416 3.725 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.704 -13.980 3.660 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -33.083 -16.902 5.536 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -34.297 -15.944 4.680 1.00 20.00 H new ATOM 553 N ALA A 27 -25.501 -15.195 2.564 1.00 20.00 N ATOM 554 CA ALA A 27 -25.269 -16.061 1.414 1.00 20.00 C ATOM 555 C ALA A 27 -24.175 -17.081 1.698 1.00 20.00 C ATOM 556 O ALA A 27 -24.133 -18.148 1.087 1.00 20.00 O ATOM 557 CB ALA A 27 -24.905 -15.233 0.197 1.00 20.00 C ATOM 0 H ALA A 27 -25.278 -14.213 2.400 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.193 -16.604 1.215 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.735 -15.892 -0.654 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.720 -14.547 -0.033 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.998 -14.664 0.402 1.00 20.00 H new ATOM 563 N LYS A 28 -23.294 -16.748 2.633 1.00 20.00 N ATOM 564 CA LYS A 28 -22.222 -17.653 3.015 1.00 20.00 C ATOM 565 C LYS A 28 -22.792 -18.880 3.715 1.00 20.00 C ATOM 566 O LYS A 28 -22.253 -19.982 3.600 1.00 20.00 O ATOM 567 CB LYS A 28 -21.201 -16.952 3.917 1.00 20.00 C ATOM 568 CG LYS A 28 -20.451 -15.814 3.233 1.00 20.00 C ATOM 569 CD LYS A 28 -19.330 -15.268 4.108 1.00 20.00 C ATOM 570 CE LYS A 28 -18.274 -16.328 4.403 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.135 -15.778 5.182 1.00 20.00 N ATOM 0 H LYS A 28 -23.302 -15.862 3.138 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.708 -17.970 2.108 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.715 -16.560 4.794 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.480 -17.688 4.273 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.036 -16.168 2.289 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.149 -15.011 2.993 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.863 -14.418 3.611 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.747 -14.900 5.045 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.729 -17.149 4.957 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.905 -16.743 3.465 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.441 -16.531 5.361 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.684 -15.012 4.643 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.482 -15.405 6.089 1.00 20.00 H new ATOM 585 N VAL A 29 -23.892 -18.688 4.430 1.00 20.00 N ATOM 586 CA VAL A 29 -24.565 -19.785 5.108 1.00 20.00 C ATOM 587 C VAL A 29 -25.614 -20.408 4.196 1.00 20.00 C ATOM 588 O VAL A 29 -25.623 -21.620 3.978 1.00 20.00 O ATOM 589 CB VAL A 29 -25.231 -19.317 6.419 1.00 20.00 C ATOM 590 CG1 VAL A 29 -26.013 -20.449 7.071 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.183 -18.773 7.372 1.00 20.00 C ATOM 0 H VAL A 29 -24.338 -17.779 4.555 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.809 -20.530 5.355 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.935 -18.520 6.180 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.472 -20.091 7.993 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -26.790 -20.794 6.389 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.338 -21.274 7.299 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.664 -18.446 8.294 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.457 -19.554 7.599 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.674 -17.928 6.909 1.00 20.00 H new ATOM 601 N ALA A 30 -26.479 -19.570 3.651 1.00 20.00 N ATOM 602 CA ALA A 30 -27.531 -20.025 2.759 1.00 20.00 C ATOM 603 C ALA A 30 -27.165 -19.711 1.315 1.00 20.00 C ATOM 604 O ALA A 30 -27.676 -18.757 0.723 1.00 20.00 O ATOM 605 CB ALA A 30 -28.855 -19.379 3.132 1.00 20.00 C ATOM 0 H ALA A 30 -26.473 -18.563 3.813 1.00 20.00 H new ATOM 0 HA ALA A 30 -27.638 -21.105 2.861 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -29.634 -19.729 2.455 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -29.116 -19.648 4.156 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -28.766 -18.295 3.053 1.00 20.00 H new ATOM 611 N THR A 31 -26.269 -20.512 0.760 1.00 20.00 N ATOM 612 CA THR A 31 -25.793 -20.305 -0.594 1.00 20.00 C ATOM 613 C THR A 31 -26.832 -20.780 -1.610 1.00 20.00 C ATOM 614 O THR A 31 -26.845 -21.944 -2.020 1.00 20.00 O ATOM 615 CB THR A 31 -24.456 -21.040 -0.818 1.00 20.00 C ATOM 616 OG1 THR A 31 -23.533 -20.687 0.224 1.00 20.00 O ATOM 617 CG2 THR A 31 -23.856 -20.683 -2.166 1.00 20.00 C ATOM 0 H THR A 31 -25.856 -21.316 1.232 1.00 20.00 H new ATOM 0 HA THR A 31 -25.631 -19.237 -0.736 1.00 20.00 H new ATOM 0 HB THR A 31 -24.648 -22.113 -0.799 1.00 20.00 H new ATOM 0 HG1 THR A 31 -23.825 -19.855 0.652 1.00 20.00 H new ATOM 0 HG21 THR A 31 -22.914 -21.215 -2.297 1.00 20.00 H new ATOM 0 HG22 THR A 31 -24.547 -20.968 -2.959 1.00 20.00 H new ATOM 0 HG23 THR A 31 -23.675 -19.609 -2.211 1.00 20.00 H new ATOM 625 N SER A 32 -27.720 -19.876 -1.996 1.00 20.00 N ATOM 626 CA SER A 32 -28.763 -20.189 -2.959 1.00 20.00 C ATOM 627 C SER A 32 -28.381 -19.689 -4.347 1.00 20.00 C ATOM 628 O SER A 32 -28.914 -20.152 -5.355 1.00 20.00 O ATOM 629 CB SER A 32 -30.086 -19.563 -2.520 1.00 20.00 C ATOM 630 OG SER A 32 -30.413 -19.948 -1.194 1.00 20.00 O ATOM 0 H SER A 32 -27.738 -18.915 -1.654 1.00 20.00 H new ATOM 0 HA SER A 32 -28.879 -21.272 -3.003 1.00 20.00 H new ATOM 0 HB2 SER A 32 -30.017 -18.477 -2.581 1.00 20.00 H new ATOM 0 HB3 SER A 32 -30.881 -19.871 -3.199 1.00 20.00 H new ATOM 0 HG SER A 32 -31.262 -19.534 -0.933 1.00 20.00 H new ATOM 636 N LEU A 33 -27.452 -18.745 -4.388 1.00 20.00 N ATOM 637 CA LEU A 33 -26.982 -18.181 -5.643 1.00 20.00 C ATOM 638 C LEU A 33 -25.560 -17.660 -5.485 1.00 20.00 C ATOM 639 O LEU A 33 -25.339 -16.581 -4.931 1.00 20.00 O ATOM 640 CB LEU A 33 -27.913 -17.052 -6.102 1.00 20.00 C ATOM 641 CG LEU A 33 -27.522 -16.357 -7.412 1.00 20.00 C ATOM 642 CD1 LEU A 33 -27.520 -17.341 -8.574 1.00 20.00 C ATOM 643 CD2 LEU A 33 -28.467 -15.201 -7.698 1.00 20.00 C ATOM 0 H LEU A 33 -27.006 -18.352 -3.559 1.00 20.00 H new ATOM 0 HA LEU A 33 -26.986 -18.965 -6.401 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -28.918 -17.458 -6.214 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -27.959 -16.301 -5.314 1.00 20.00 H new ATOM 0 HG LEU A 33 -26.511 -15.965 -7.300 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -27.239 -16.821 -9.490 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -26.804 -18.138 -8.375 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -28.516 -17.769 -8.690 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -28.178 -14.717 -8.631 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -29.486 -15.577 -7.785 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -28.416 -14.479 -6.883 1.00 20.00 H new ATOM 655 N ALA A 34 -24.599 -18.444 -5.939 1.00 20.00 N ATOM 656 CA ALA A 34 -23.204 -18.050 -5.895 1.00 20.00 C ATOM 657 C ALA A 34 -22.441 -18.679 -7.049 1.00 20.00 C ATOM 658 O ALA A 34 -22.846 -19.715 -7.583 1.00 20.00 O ATOM 659 CB ALA A 34 -22.582 -18.454 -4.566 1.00 20.00 C ATOM 0 H ALA A 34 -24.762 -19.365 -6.346 1.00 20.00 H new ATOM 0 HA ALA A 34 -23.146 -16.966 -5.990 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -21.535 -18.152 -4.548 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -23.115 -17.965 -3.751 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -22.650 -19.535 -4.446 1.00 20.00 H new ATOM 665 N ASP A 35 -21.354 -18.038 -7.444 1.00 20.00 N ATOM 666 CA ASP A 35 -20.493 -18.563 -8.494 1.00 20.00 C ATOM 667 C ASP A 35 -19.399 -19.425 -7.878 1.00 20.00 C ATOM 668 O ASP A 35 -18.764 -19.014 -6.902 1.00 20.00 O ATOM 669 CB ASP A 35 -19.873 -17.418 -9.305 1.00 20.00 C ATOM 670 CG ASP A 35 -18.924 -17.914 -10.378 1.00 20.00 C ATOM 671 OD1 ASP A 35 -19.404 -18.414 -11.419 1.00 20.00 O ATOM 672 OD2 ASP A 35 -17.695 -17.809 -10.188 1.00 20.00 O ATOM 0 H ASP A 35 -21.044 -17.149 -7.052 1.00 20.00 H new ATOM 0 HA ASP A 35 -21.093 -19.174 -9.168 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -20.668 -16.834 -9.769 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -19.337 -16.749 -8.632 1.00 20.00 H new ATOM 677 N PRO A 36 -19.176 -20.632 -8.426 1.00 20.00 N ATOM 678 CA PRO A 36 -18.190 -21.578 -7.896 1.00 20.00 C ATOM 679 C PRO A 36 -16.788 -20.985 -7.855 1.00 20.00 C ATOM 680 O PRO A 36 -16.192 -20.685 -8.894 1.00 20.00 O ATOM 681 CB PRO A 36 -18.246 -22.762 -8.872 1.00 20.00 C ATOM 682 CG PRO A 36 -18.906 -22.226 -10.094 1.00 20.00 C ATOM 683 CD PRO A 36 -19.859 -21.171 -9.613 1.00 20.00 C ATOM 0 HA PRO A 36 -18.414 -21.858 -6.867 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -17.247 -23.136 -9.095 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -18.811 -23.594 -8.451 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -18.173 -21.806 -10.783 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -19.433 -23.014 -10.631 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -20.026 -20.402 -10.368 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -20.834 -21.590 -9.363 1.00 20.00 H new ATOM 691 N ARG A 37 -16.277 -20.815 -6.647 1.00 20.00 N ATOM 692 CA ARG A 37 -14.948 -20.260 -6.437 1.00 20.00 C ATOM 693 C ARG A 37 -13.888 -21.201 -6.996 1.00 20.00 C ATOM 694 O ARG A 37 -14.061 -22.422 -6.966 1.00 20.00 O ATOM 695 CB ARG A 37 -14.724 -20.018 -4.945 1.00 20.00 C ATOM 696 CG ARG A 37 -15.660 -18.973 -4.361 1.00 20.00 C ATOM 697 CD ARG A 37 -15.585 -18.936 -2.845 1.00 20.00 C ATOM 698 NE ARG A 37 -16.112 -20.158 -2.239 1.00 20.00 N ATOM 699 CZ ARG A 37 -16.174 -20.370 -0.925 1.00 20.00 C ATOM 700 NH1 ARG A 37 -15.715 -19.457 -0.075 1.00 20.00 N ATOM 701 NH2 ARG A 37 -16.689 -21.501 -0.462 1.00 20.00 N ATOM 0 H ARG A 37 -16.769 -21.056 -5.787 1.00 20.00 H new ATOM 0 HA ARG A 37 -14.868 -19.309 -6.963 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -14.857 -20.957 -4.407 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -13.693 -19.703 -4.785 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -15.405 -17.992 -4.762 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -16.683 -19.188 -4.670 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -14.549 -18.797 -2.537 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -16.146 -18.077 -2.475 1.00 20.00 H new ATOM 0 HE ARG A 37 -16.453 -20.892 -2.860 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -15.313 -18.589 -0.428 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -15.765 -19.625 0.930 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -17.037 -22.207 -1.111 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -16.737 -21.665 0.544 1.00 20.00 H new ATOM 715 N PRO A 38 -12.783 -20.646 -7.519 1.00 20.00 N ATOM 716 CA PRO A 38 -11.718 -21.436 -8.145 1.00 20.00 C ATOM 717 C PRO A 38 -10.891 -22.215 -7.127 1.00 20.00 C ATOM 718 O PRO A 38 -9.700 -21.961 -6.942 1.00 20.00 O ATOM 719 CB PRO A 38 -10.860 -20.382 -8.846 1.00 20.00 C ATOM 720 CG PRO A 38 -11.071 -19.139 -8.057 1.00 20.00 C ATOM 721 CD PRO A 38 -12.485 -19.202 -7.545 1.00 20.00 C ATOM 0 HA PRO A 38 -12.117 -22.195 -8.818 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -9.809 -20.670 -8.857 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -11.165 -20.249 -9.884 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -10.361 -19.076 -7.232 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -10.920 -18.255 -8.676 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -12.572 -18.757 -6.554 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -13.172 -18.663 -8.198 1.00 20.00 H new ATOM 729 N ALA A 39 -11.538 -23.159 -6.470 1.00 20.00 N ATOM 730 CA ALA A 39 -10.884 -24.005 -5.493 1.00 20.00 C ATOM 731 C ALA A 39 -10.134 -25.128 -6.191 1.00 20.00 C ATOM 732 O ALA A 39 -10.569 -25.627 -7.231 1.00 20.00 O ATOM 733 CB ALA A 39 -11.908 -24.568 -4.517 1.00 20.00 C ATOM 0 H ALA A 39 -12.530 -23.360 -6.599 1.00 20.00 H new ATOM 0 HA ALA A 39 -10.166 -23.408 -4.932 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -11.405 -25.202 -3.787 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -12.408 -23.748 -4.001 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -12.645 -25.157 -5.063 1.00 20.00 H new ATOM 739 N ILE A 40 -9.001 -25.506 -5.632 1.00 20.00 N ATOM 740 CA ILE A 40 -8.200 -26.576 -6.196 1.00 20.00 C ATOM 741 C ILE A 40 -8.714 -27.922 -5.700 1.00 20.00 C ATOM 742 O ILE A 40 -8.775 -28.161 -4.492 1.00 20.00 O ATOM 743 CB ILE A 40 -6.710 -26.412 -5.828 1.00 20.00 C ATOM 744 CG1 ILE A 40 -6.190 -25.061 -6.332 1.00 20.00 C ATOM 745 CG2 ILE A 40 -5.886 -27.554 -6.407 1.00 20.00 C ATOM 746 CD1 ILE A 40 -4.748 -24.794 -5.976 1.00 20.00 C ATOM 0 H ILE A 40 -8.613 -25.088 -4.786 1.00 20.00 H new ATOM 0 HA ILE A 40 -8.286 -26.531 -7.282 1.00 20.00 H new ATOM 0 HB ILE A 40 -6.613 -26.441 -4.743 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -6.301 -25.021 -7.416 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -6.810 -24.266 -5.918 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -4.839 -27.420 -6.137 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -6.246 -28.502 -6.007 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -5.983 -27.558 -7.493 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -4.451 -23.820 -6.366 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -4.634 -24.801 -4.892 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -4.116 -25.567 -6.413 1.00 20.00 H new ATOM 758 N PRO A 41 -9.122 -28.806 -6.622 1.00 20.00 N ATOM 759 CA PRO A 41 -9.639 -30.127 -6.269 1.00 20.00 C ATOM 760 C PRO A 41 -8.571 -30.986 -5.598 1.00 20.00 C ATOM 761 O PRO A 41 -7.479 -31.174 -6.139 1.00 20.00 O ATOM 762 CB PRO A 41 -10.057 -30.738 -7.611 1.00 20.00 C ATOM 763 CG PRO A 41 -9.323 -29.960 -8.648 1.00 20.00 C ATOM 764 CD PRO A 41 -9.106 -28.585 -8.079 1.00 20.00 C ATOM 0 HA PRO A 41 -10.461 -30.066 -5.556 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -9.799 -31.796 -7.658 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -11.135 -30.666 -7.756 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -8.372 -30.435 -8.888 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -9.897 -29.910 -9.574 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -8.159 -28.159 -8.409 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -9.891 -27.895 -8.388 1.00 20.00 H new ATOM 772 N HIS A 42 -8.894 -31.513 -4.423 1.00 20.00 N ATOM 773 CA HIS A 42 -7.934 -32.274 -3.628 1.00 20.00 C ATOM 774 C HIS A 42 -7.523 -33.565 -4.328 1.00 20.00 C ATOM 775 O HIS A 42 -6.515 -34.172 -3.971 1.00 20.00 O ATOM 776 CB HIS A 42 -8.505 -32.582 -2.241 1.00 20.00 C ATOM 777 CG HIS A 42 -8.561 -31.390 -1.331 1.00 20.00 C ATOM 778 ND1 HIS A 42 -7.818 -31.292 -0.177 1.00 20.00 N ATOM 779 CD2 HIS A 42 -9.280 -30.245 -1.408 1.00 20.00 C ATOM 780 CE1 HIS A 42 -8.079 -30.144 0.418 1.00 20.00 C ATOM 781 NE2 HIS A 42 -8.963 -29.487 -0.308 1.00 20.00 N ATOM 0 H HIS A 42 -9.817 -31.427 -3.997 1.00 20.00 H new ATOM 0 HA HIS A 42 -7.043 -31.657 -3.514 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -9.510 -32.989 -2.354 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -7.898 -33.357 -1.772 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -9.975 -29.977 -2.190 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -7.642 -29.800 1.344 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -9.347 -28.568 -0.089 1.00 20.00 H new ATOM 790 N ASP A 43 -8.297 -33.970 -5.333 1.00 20.00 N ATOM 791 CA ASP A 43 -7.988 -35.170 -6.114 1.00 20.00 C ATOM 792 C ASP A 43 -6.594 -35.073 -6.712 1.00 20.00 C ATOM 793 O ASP A 43 -5.817 -36.028 -6.669 1.00 20.00 O ATOM 794 CB ASP A 43 -8.995 -35.372 -7.253 1.00 20.00 C ATOM 795 CG ASP A 43 -10.427 -35.469 -6.778 1.00 20.00 C ATOM 796 OD1 ASP A 43 -10.887 -36.590 -6.479 1.00 20.00 O ATOM 797 OD2 ASP A 43 -11.108 -34.425 -6.725 1.00 20.00 O ATOM 0 H ASP A 43 -9.145 -33.485 -5.627 1.00 20.00 H new ATOM 0 HA ASP A 43 -8.044 -36.019 -5.433 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -8.908 -34.543 -7.956 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -8.738 -36.280 -7.798 1.00 20.00 H new ATOM 802 N GLU A 44 -6.276 -33.899 -7.245 1.00 20.00 N ATOM 803 CA GLU A 44 -4.999 -33.681 -7.913 1.00 20.00 C ATOM 804 C GLU A 44 -3.857 -33.700 -6.907 1.00 20.00 C ATOM 805 O GLU A 44 -2.761 -34.177 -7.200 1.00 20.00 O ATOM 806 CB GLU A 44 -5.002 -32.352 -8.675 1.00 20.00 C ATOM 807 CG GLU A 44 -5.998 -32.305 -9.824 1.00 20.00 C ATOM 808 CD GLU A 44 -5.881 -31.036 -10.641 1.00 20.00 C ATOM 809 OE1 GLU A 44 -4.812 -30.809 -11.244 1.00 20.00 O ATOM 810 OE2 GLU A 44 -6.862 -30.268 -10.703 1.00 20.00 O ATOM 0 H GLU A 44 -6.887 -33.082 -7.227 1.00 20.00 H new ATOM 0 HA GLU A 44 -4.852 -34.491 -8.627 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -5.227 -31.545 -7.978 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -4.002 -32.166 -9.066 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -5.840 -33.167 -10.473 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -7.010 -32.386 -9.427 1.00 20.00 H new ATOM 817 N VAL A 45 -4.134 -33.196 -5.714 1.00 20.00 N ATOM 818 CA VAL A 45 -3.137 -33.122 -4.659 1.00 20.00 C ATOM 819 C VAL A 45 -2.836 -34.510 -4.105 1.00 20.00 C ATOM 820 O VAL A 45 -1.675 -34.915 -4.000 1.00 20.00 O ATOM 821 CB VAL A 45 -3.608 -32.202 -3.514 1.00 20.00 C ATOM 822 CG1 VAL A 45 -2.540 -32.080 -2.442 1.00 20.00 C ATOM 823 CG2 VAL A 45 -3.986 -30.832 -4.056 1.00 20.00 C ATOM 0 H VAL A 45 -5.049 -32.830 -5.452 1.00 20.00 H new ATOM 0 HA VAL A 45 -2.229 -32.704 -5.094 1.00 20.00 H new ATOM 0 HB VAL A 45 -4.491 -32.649 -3.058 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -2.896 -31.426 -1.646 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -2.322 -33.066 -2.032 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -1.633 -31.660 -2.878 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -4.316 -30.195 -3.236 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -3.120 -30.381 -4.540 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -4.793 -30.938 -4.781 1.00 20.00 H new ATOM 833 N GLU A 46 -3.894 -35.240 -3.774 1.00 20.00 N ATOM 834 CA GLU A 46 -3.761 -36.583 -3.217 1.00 20.00 C ATOM 835 C GLU A 46 -3.052 -37.510 -4.194 1.00 20.00 C ATOM 836 O GLU A 46 -2.102 -38.196 -3.824 1.00 20.00 O ATOM 837 CB GLU A 46 -5.132 -37.159 -2.849 1.00 20.00 C ATOM 838 CG GLU A 46 -5.868 -36.344 -1.798 1.00 20.00 C ATOM 839 CD GLU A 46 -5.128 -36.300 -0.478 1.00 20.00 C ATOM 840 OE1 GLU A 46 -4.219 -35.457 -0.321 1.00 20.00 O ATOM 841 OE2 GLU A 46 -5.451 -37.110 0.412 1.00 20.00 O ATOM 0 H GLU A 46 -4.858 -34.924 -3.882 1.00 20.00 H new ATOM 0 HA GLU A 46 -3.159 -36.508 -2.311 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -5.746 -37.218 -3.748 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -5.003 -38.178 -2.483 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -6.011 -35.328 -2.165 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -6.859 -36.769 -1.641 1.00 20.00 H new ATOM 848 N ARG A 47 -3.500 -37.507 -5.444 1.00 20.00 N ATOM 849 CA ARG A 47 -2.910 -38.356 -6.475 1.00 20.00 C ATOM 850 C ARG A 47 -1.420 -38.068 -6.634 1.00 20.00 C ATOM 851 O ARG A 47 -0.613 -38.982 -6.816 1.00 20.00 O ATOM 852 CB ARG A 47 -3.632 -38.147 -7.811 1.00 20.00 C ATOM 853 CG ARG A 47 -3.021 -38.926 -8.966 1.00 20.00 C ATOM 854 CD ARG A 47 -3.802 -38.728 -10.256 1.00 20.00 C ATOM 855 NE ARG A 47 -5.174 -39.220 -10.147 1.00 20.00 N ATOM 856 CZ ARG A 47 -6.058 -39.187 -11.141 1.00 20.00 C ATOM 857 NH1 ARG A 47 -5.713 -38.696 -12.325 1.00 20.00 N ATOM 858 NH2 ARG A 47 -7.287 -39.653 -10.948 1.00 20.00 N ATOM 0 H ARG A 47 -4.272 -36.925 -5.770 1.00 20.00 H new ATOM 0 HA ARG A 47 -3.026 -39.395 -6.166 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -4.676 -38.440 -7.699 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -3.623 -37.085 -8.056 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -1.989 -38.608 -9.113 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -2.995 -39.987 -8.716 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -3.816 -37.669 -10.512 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -3.295 -39.246 -11.070 1.00 20.00 H new ATOM 0 HE ARG A 47 -5.472 -39.613 -9.254 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -4.768 -38.343 -12.475 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -6.393 -38.672 -13.085 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -7.551 -40.035 -10.040 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -7.967 -39.629 -11.708 1.00 20.00 H new ATOM 872 N ARG A 48 -1.062 -36.794 -6.547 1.00 20.00 N ATOM 873 CA ARG A 48 0.323 -36.374 -6.707 1.00 20.00 C ATOM 874 C ARG A 48 1.176 -36.822 -5.521 1.00 20.00 C ATOM 875 O ARG A 48 2.246 -37.403 -5.699 1.00 20.00 O ATOM 876 CB ARG A 48 0.390 -34.851 -6.854 1.00 20.00 C ATOM 877 CG ARG A 48 1.803 -34.308 -6.997 1.00 20.00 C ATOM 878 CD ARG A 48 1.813 -32.789 -7.058 1.00 20.00 C ATOM 879 NE ARG A 48 3.167 -32.253 -7.186 1.00 20.00 N ATOM 880 CZ ARG A 48 3.441 -30.972 -7.425 1.00 20.00 C ATOM 881 NH1 ARG A 48 2.457 -30.092 -7.559 1.00 20.00 N ATOM 882 NH2 ARG A 48 4.701 -30.566 -7.521 1.00 20.00 N ATOM 0 H ARG A 48 -1.714 -36.031 -6.366 1.00 20.00 H new ATOM 0 HA ARG A 48 0.721 -36.844 -7.607 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -0.193 -34.554 -7.726 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -0.079 -34.391 -5.985 1.00 20.00 H new ATOM 0 HG2 ARG A 48 2.410 -34.643 -6.156 1.00 20.00 H new ATOM 0 HG3 ARG A 48 2.260 -34.712 -7.900 1.00 20.00 H new ATOM 0 HD2 ARG A 48 1.211 -32.457 -7.903 1.00 20.00 H new ATOM 0 HD3 ARG A 48 1.348 -32.387 -6.158 1.00 20.00 H new ATOM 0 HE ARG A 48 3.950 -32.900 -7.086 1.00 20.00 H new ATOM 0 HH11 ARG A 48 1.487 -30.396 -7.479 1.00 20.00 H new ATOM 0 HH12 ARG A 48 2.671 -29.112 -7.742 1.00 20.00 H new ATOM 0 HH21 ARG A 48 5.462 -31.236 -7.412 1.00 20.00 H new ATOM 0 HH22 ARG A 48 4.908 -29.584 -7.704 1.00 20.00 H new ATOM 896 N MET A 49 0.688 -36.567 -4.316 1.00 20.00 N ATOM 897 CA MET A 49 1.468 -36.818 -3.112 1.00 20.00 C ATOM 898 C MET A 49 1.443 -38.287 -2.706 1.00 20.00 C ATOM 899 O MET A 49 2.489 -38.880 -2.455 1.00 20.00 O ATOM 900 CB MET A 49 0.964 -35.955 -1.950 1.00 20.00 C ATOM 901 CG MET A 49 1.226 -34.469 -2.120 1.00 20.00 C ATOM 902 SD MET A 49 0.609 -33.501 -0.728 1.00 20.00 S ATOM 903 CE MET A 49 1.019 -31.840 -1.259 1.00 20.00 C ATOM 0 H MET A 49 -0.243 -36.187 -4.145 1.00 20.00 H new ATOM 0 HA MET A 49 2.499 -36.551 -3.344 1.00 20.00 H new ATOM 0 HB2 MET A 49 -0.108 -36.113 -1.833 1.00 20.00 H new ATOM 0 HB3 MET A 49 1.438 -36.293 -1.029 1.00 20.00 H new ATOM 0 HG2 MET A 49 2.297 -34.301 -2.230 1.00 20.00 H new ATOM 0 HG3 MET A 49 0.754 -34.122 -3.039 1.00 20.00 H new ATOM 0 HE1 MET A 49 0.575 -31.119 -0.573 1.00 20.00 H new ATOM 0 HE2 MET A 49 2.102 -31.717 -1.265 1.00 20.00 H new ATOM 0 HE3 MET A 49 0.630 -31.672 -2.263 1.00 20.00 H new ATOM 913 N ALA A 50 0.253 -38.872 -2.658 1.00 20.00 N ATOM 914 CA ALA A 50 0.073 -40.212 -2.108 1.00 20.00 C ATOM 915 C ALA A 50 0.781 -41.282 -2.932 1.00 20.00 C ATOM 916 O ALA A 50 1.614 -42.017 -2.408 1.00 20.00 O ATOM 917 CB ALA A 50 -1.405 -40.539 -1.983 1.00 20.00 C ATOM 0 H ALA A 50 -0.606 -38.438 -2.995 1.00 20.00 H new ATOM 0 HA ALA A 50 0.530 -40.213 -1.118 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -1.522 -41.541 -1.571 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -1.883 -39.817 -1.321 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -1.872 -40.494 -2.967 1.00 20.00 H new ATOM 923 N GLU A 51 0.463 -41.354 -4.222 1.00 20.00 N ATOM 924 CA GLU A 51 0.983 -42.421 -5.077 1.00 20.00 C ATOM 925 C GLU A 51 2.506 -42.404 -5.145 1.00 20.00 C ATOM 926 O GLU A 51 3.147 -43.456 -5.184 1.00 20.00 O ATOM 927 CB GLU A 51 0.397 -42.329 -6.487 1.00 20.00 C ATOM 928 CG GLU A 51 -1.090 -42.648 -6.554 1.00 20.00 C ATOM 929 CD GLU A 51 -1.573 -42.847 -7.975 1.00 20.00 C ATOM 930 OE1 GLU A 51 -1.182 -43.852 -8.602 1.00 20.00 O ATOM 931 OE2 GLU A 51 -2.349 -42.004 -8.474 1.00 20.00 O ATOM 0 H GLU A 51 -0.149 -40.691 -4.698 1.00 20.00 H new ATOM 0 HA GLU A 51 0.676 -43.365 -4.627 1.00 20.00 H new ATOM 0 HB2 GLU A 51 0.562 -41.324 -6.874 1.00 20.00 H new ATOM 0 HB3 GLU A 51 0.936 -43.015 -7.140 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -1.292 -43.549 -5.975 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -1.654 -41.838 -6.091 1.00 20.00 H new ATOM 938 N ARG A 52 3.087 -41.215 -5.141 1.00 20.00 N ATOM 939 CA ARG A 52 4.535 -41.086 -5.216 1.00 20.00 C ATOM 940 C ARG A 52 5.174 -41.360 -3.861 1.00 20.00 C ATOM 941 O ARG A 52 6.257 -41.941 -3.781 1.00 20.00 O ATOM 942 CB ARG A 52 4.933 -39.697 -5.722 1.00 20.00 C ATOM 943 CG ARG A 52 4.552 -39.442 -7.173 1.00 20.00 C ATOM 944 CD ARG A 52 5.070 -38.099 -7.659 1.00 20.00 C ATOM 945 NE ARG A 52 4.785 -37.885 -9.078 1.00 20.00 N ATOM 946 CZ ARG A 52 5.519 -37.116 -9.880 1.00 20.00 C ATOM 947 NH1 ARG A 52 6.578 -36.472 -9.402 1.00 20.00 N ATOM 948 NH2 ARG A 52 5.193 -36.990 -11.159 1.00 20.00 N ATOM 0 H ARG A 52 2.583 -40.330 -5.087 1.00 20.00 H new ATOM 0 HA ARG A 52 4.901 -41.828 -5.925 1.00 20.00 H new ATOM 0 HB2 ARG A 52 4.461 -38.942 -5.094 1.00 20.00 H new ATOM 0 HB3 ARG A 52 6.011 -39.575 -5.612 1.00 20.00 H new ATOM 0 HG2 ARG A 52 4.955 -40.237 -7.801 1.00 20.00 H new ATOM 0 HG3 ARG A 52 3.467 -39.473 -7.276 1.00 20.00 H new ATOM 0 HD2 ARG A 52 4.615 -37.301 -7.073 1.00 20.00 H new ATOM 0 HD3 ARG A 52 6.146 -38.043 -7.492 1.00 20.00 H new ATOM 0 HE ARG A 52 3.973 -38.355 -9.478 1.00 20.00 H new ATOM 0 HH11 ARG A 52 6.831 -36.566 -8.418 1.00 20.00 H new ATOM 0 HH12 ARG A 52 7.138 -35.884 -10.019 1.00 20.00 H new ATOM 0 HH21 ARG A 52 4.380 -37.482 -11.529 1.00 20.00 H new ATOM 0 HH22 ARG A 52 5.755 -36.401 -11.773 1.00 20.00 H new ATOM 962 N PHE A 53 4.494 -40.963 -2.792 1.00 20.00 N ATOM 963 CA PHE A 53 5.021 -41.161 -1.450 1.00 20.00 C ATOM 964 C PHE A 53 4.885 -42.622 -1.042 1.00 20.00 C ATOM 965 O PHE A 53 5.610 -43.106 -0.175 1.00 20.00 O ATOM 966 CB PHE A 53 4.301 -40.264 -0.443 1.00 20.00 C ATOM 967 CG PHE A 53 5.048 -40.103 0.849 1.00 20.00 C ATOM 968 CD1 PHE A 53 6.224 -39.370 0.894 1.00 20.00 C ATOM 969 CD2 PHE A 53 4.581 -40.681 2.017 1.00 20.00 C ATOM 970 CE1 PHE A 53 6.919 -39.221 2.077 1.00 20.00 C ATOM 971 CE2 PHE A 53 5.273 -40.534 3.203 1.00 20.00 C ATOM 972 CZ PHE A 53 6.443 -39.803 3.233 1.00 20.00 C ATOM 0 H PHE A 53 3.583 -40.505 -2.829 1.00 20.00 H new ATOM 0 HA PHE A 53 6.077 -40.890 -1.455 1.00 20.00 H new ATOM 0 HB2 PHE A 53 4.144 -39.282 -0.889 1.00 20.00 H new ATOM 0 HB3 PHE A 53 3.315 -40.681 -0.235 1.00 20.00 H new ATOM 0 HD1 PHE A 53 6.601 -38.910 -0.008 1.00 20.00 H new ATOM 0 HD2 PHE A 53 3.665 -41.253 2.001 1.00 20.00 H new ATOM 0 HE1 PHE A 53 7.835 -38.649 2.097 1.00 20.00 H new ATOM 0 HE2 PHE A 53 4.899 -40.991 4.107 1.00 20.00 H new ATOM 0 HZ PHE A 53 6.985 -39.687 4.160 1.00 20.00 H new ATOM 982 N ALA A 54 3.954 -43.319 -1.679 1.00 20.00 N ATOM 983 CA ALA A 54 3.764 -44.743 -1.450 1.00 20.00 C ATOM 984 C ALA A 54 5.038 -45.513 -1.774 1.00 20.00 C ATOM 985 O ALA A 54 5.440 -46.421 -1.040 1.00 20.00 O ATOM 986 CB ALA A 54 2.605 -45.256 -2.290 1.00 20.00 C ATOM 0 H ALA A 54 3.314 -42.916 -2.364 1.00 20.00 H new ATOM 0 HA ALA A 54 3.530 -44.898 -0.397 1.00 20.00 H new ATOM 0 HB1 ALA A 54 2.471 -46.323 -2.112 1.00 20.00 H new ATOM 0 HB2 ALA A 54 1.694 -44.725 -2.016 1.00 20.00 H new ATOM 0 HB3 ALA A 54 2.819 -45.089 -3.346 1.00 20.00 H new ATOM 992 N LYS A 55 5.690 -45.125 -2.863 1.00 20.00 N ATOM 993 CA LYS A 55 6.933 -45.762 -3.277 1.00 20.00 C ATOM 994 C LYS A 55 8.084 -45.298 -2.387 1.00 20.00 C ATOM 995 O LYS A 55 9.138 -45.926 -2.329 1.00 20.00 O ATOM 996 CB LYS A 55 7.218 -45.450 -4.750 1.00 20.00 C ATOM 997 CG LYS A 55 8.406 -46.209 -5.330 1.00 20.00 C ATOM 998 CD LYS A 55 8.521 -46.014 -6.832 1.00 20.00 C ATOM 999 CE LYS A 55 8.706 -44.551 -7.203 1.00 20.00 C ATOM 1000 NZ LYS A 55 8.832 -44.359 -8.670 1.00 20.00 N ATOM 0 H LYS A 55 5.378 -44.372 -3.476 1.00 20.00 H new ATOM 0 HA LYS A 55 6.834 -46.842 -3.169 1.00 20.00 H new ATOM 0 HB2 LYS A 55 6.330 -45.683 -5.338 1.00 20.00 H new ATOM 0 HB3 LYS A 55 7.398 -44.380 -4.855 1.00 20.00 H new ATOM 0 HG2 LYS A 55 9.324 -45.871 -4.848 1.00 20.00 H new ATOM 0 HG3 LYS A 55 8.302 -47.271 -5.108 1.00 20.00 H new ATOM 0 HD2 LYS A 55 9.364 -46.593 -7.209 1.00 20.00 H new ATOM 0 HD3 LYS A 55 7.625 -46.401 -7.318 1.00 20.00 H new ATOM 0 HE2 LYS A 55 7.858 -43.974 -6.834 1.00 20.00 H new ATOM 0 HE3 LYS A 55 9.596 -44.162 -6.709 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 8.956 -43.348 -8.878 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 9.656 -44.889 -9.020 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 7.972 -44.706 -9.141 1.00 20.00 H new ATOM 1014 N MET A 56 7.857 -44.201 -1.677 1.00 20.00 N ATOM 1015 CA MET A 56 8.840 -43.671 -0.739 1.00 20.00 C ATOM 1016 C MET A 56 8.668 -44.312 0.635 1.00 20.00 C ATOM 1017 O MET A 56 9.505 -44.147 1.522 1.00 20.00 O ATOM 1018 CB MET A 56 8.714 -42.149 -0.626 1.00 20.00 C ATOM 1019 CG MET A 56 9.005 -41.410 -1.924 1.00 20.00 C ATOM 1020 SD MET A 56 8.719 -39.634 -1.795 1.00 20.00 S ATOM 1021 CE MET A 56 9.244 -39.095 -3.420 1.00 20.00 C ATOM 0 H MET A 56 6.996 -43.657 -1.733 1.00 20.00 H new ATOM 0 HA MET A 56 9.833 -43.912 -1.118 1.00 20.00 H new ATOM 0 HB2 MET A 56 7.705 -41.901 -0.296 1.00 20.00 H new ATOM 0 HB3 MET A 56 9.398 -41.793 0.145 1.00 20.00 H new ATOM 0 HG2 MET A 56 10.041 -41.587 -2.213 1.00 20.00 H new ATOM 0 HG3 MET A 56 8.379 -41.818 -2.717 1.00 20.00 H new ATOM 0 HE1 MET A 56 9.128 -38.014 -3.500 1.00 20.00 H new ATOM 0 HE2 MET A 56 10.291 -39.360 -3.571 1.00 20.00 H new ATOM 0 HE3 MET A 56 8.633 -39.582 -4.180 1.00 20.00 H new ATOM 1031 N ARG A 57 7.568 -45.031 0.810 1.00 20.00 N ATOM 1032 CA ARG A 57 7.338 -45.783 2.035 1.00 20.00 C ATOM 1033 C ARG A 57 7.993 -47.151 1.928 1.00 20.00 C ATOM 1034 O ARG A 57 8.474 -47.701 2.916 1.00 20.00 O ATOM 1035 CB ARG A 57 5.840 -45.940 2.308 1.00 20.00 C ATOM 1036 CG ARG A 57 5.143 -44.633 2.644 1.00 20.00 C ATOM 1037 CD ARG A 57 3.639 -44.814 2.745 1.00 20.00 C ATOM 1038 NE ARG A 57 2.969 -43.579 3.143 1.00 20.00 N ATOM 1039 CZ ARG A 57 1.828 -43.140 2.614 1.00 20.00 C ATOM 1040 NH1 ARG A 57 1.212 -43.837 1.663 1.00 20.00 N ATOM 1041 NH2 ARG A 57 1.295 -42.003 3.045 1.00 20.00 N ATOM 0 H ARG A 57 6.821 -45.109 0.119 1.00 20.00 H new ATOM 0 HA ARG A 57 7.780 -45.233 2.866 1.00 20.00 H new ATOM 0 HB2 ARG A 57 5.364 -46.381 1.432 1.00 20.00 H new ATOM 0 HB3 ARG A 57 5.701 -46.639 3.133 1.00 20.00 H new ATOM 0 HG2 ARG A 57 5.528 -44.246 3.588 1.00 20.00 H new ATOM 0 HG3 ARG A 57 5.371 -43.891 1.879 1.00 20.00 H new ATOM 0 HD2 ARG A 57 3.248 -45.146 1.783 1.00 20.00 H new ATOM 0 HD3 ARG A 57 3.415 -45.598 3.468 1.00 20.00 H new ATOM 0 HE ARG A 57 3.403 -43.016 3.874 1.00 20.00 H new ATOM 0 HH11 ARG A 57 1.613 -44.715 1.333 1.00 20.00 H new ATOM 0 HH12 ARG A 57 0.339 -43.493 1.264 1.00 20.00 H new ATOM 0 HH21 ARG A 57 1.759 -41.468 3.779 1.00 20.00 H new ATOM 0 HH22 ARG A 57 0.421 -41.664 2.642 1.00 20.00 H new ATOM 1055 N LYS A 58 8.005 -47.675 0.704 1.00 20.00 N ATOM 1056 CA LYS A 58 8.626 -48.961 0.386 1.00 20.00 C ATOM 1057 C LYS A 58 8.023 -50.101 1.207 1.00 20.00 C ATOM 1058 O LYS A 58 6.990 -50.652 0.833 1.00 20.00 O ATOM 1059 CB LYS A 58 10.146 -48.889 0.566 1.00 20.00 C ATOM 1060 CG LYS A 58 10.810 -47.868 -0.349 1.00 20.00 C ATOM 1061 CD LYS A 58 12.326 -47.879 -0.216 1.00 20.00 C ATOM 1062 CE LYS A 58 12.929 -49.189 -0.699 1.00 20.00 C ATOM 1063 NZ LYS A 58 14.407 -49.203 -0.559 1.00 20.00 N ATOM 0 H LYS A 58 7.581 -47.216 -0.102 1.00 20.00 H new ATOM 0 HA LYS A 58 8.418 -49.178 -0.662 1.00 20.00 H new ATOM 0 HB2 LYS A 58 10.371 -48.639 1.603 1.00 20.00 H new ATOM 0 HB3 LYS A 58 10.575 -49.872 0.375 1.00 20.00 H new ATOM 0 HG2 LYS A 58 10.536 -48.077 -1.383 1.00 20.00 H new ATOM 0 HG3 LYS A 58 10.433 -46.873 -0.114 1.00 20.00 H new ATOM 0 HD2 LYS A 58 12.747 -47.053 -0.789 1.00 20.00 H new ATOM 0 HD3 LYS A 58 12.600 -47.716 0.826 1.00 20.00 H new ATOM 0 HE2 LYS A 58 12.503 -50.016 -0.131 1.00 20.00 H new ATOM 0 HE3 LYS A 58 12.662 -49.348 -1.744 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 14.779 -50.113 -0.899 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 14.816 -48.430 -1.121 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 14.662 -49.077 0.441 1.00 20.00 H new ATOM 1077 N GLU A 59 8.646 -50.438 2.331 1.00 20.00 N ATOM 1078 CA GLU A 59 8.153 -51.522 3.176 1.00 20.00 C ATOM 1079 C GLU A 59 7.288 -50.973 4.302 1.00 20.00 C ATOM 1080 O GLU A 59 6.575 -51.718 4.977 1.00 20.00 O ATOM 1081 CB GLU A 59 9.311 -52.330 3.768 1.00 20.00 C ATOM 1082 CG GLU A 59 10.198 -52.998 2.731 1.00 20.00 C ATOM 1083 CD GLU A 59 9.440 -53.954 1.834 1.00 20.00 C ATOM 1084 OE1 GLU A 59 9.059 -55.046 2.306 1.00 20.00 O ATOM 1085 OE2 GLU A 59 9.224 -53.621 0.650 1.00 20.00 O ATOM 0 H GLU A 59 9.489 -49.980 2.678 1.00 20.00 H new ATOM 0 HA GLU A 59 7.551 -52.180 2.549 1.00 20.00 H new ATOM 0 HB2 GLU A 59 9.923 -51.670 4.382 1.00 20.00 H new ATOM 0 HB3 GLU A 59 8.905 -53.095 4.429 1.00 20.00 H new ATOM 0 HG2 GLU A 59 10.672 -52.231 2.118 1.00 20.00 H new ATOM 0 HG3 GLU A 59 10.996 -53.540 3.238 1.00 20.00 H new ATOM 1092 N ARG A 60 7.342 -49.662 4.491 1.00 20.00 N ATOM 1093 CA ARG A 60 6.605 -49.009 5.569 1.00 20.00 C ATOM 1094 C ARG A 60 5.150 -48.780 5.175 1.00 20.00 C ATOM 1095 O ARG A 60 4.380 -48.182 5.925 1.00 20.00 O ATOM 1096 CB ARG A 60 7.257 -47.672 5.936 1.00 20.00 C ATOM 1097 CG ARG A 60 8.700 -47.792 6.399 1.00 20.00 C ATOM 1098 CD ARG A 60 8.817 -48.644 7.653 1.00 20.00 C ATOM 1099 NE ARG A 60 10.198 -48.742 8.122 1.00 20.00 N ATOM 1100 CZ ARG A 60 10.648 -49.713 8.918 1.00 20.00 C ATOM 1101 NH1 ARG A 60 9.830 -50.662 9.346 1.00 20.00 N ATOM 1102 NH2 ARG A 60 11.921 -49.730 9.289 1.00 20.00 N ATOM 0 H ARG A 60 7.890 -49.026 3.911 1.00 20.00 H new ATOM 0 HA ARG A 60 6.632 -49.668 6.436 1.00 20.00 H new ATOM 0 HB2 ARG A 60 7.218 -47.011 5.070 1.00 20.00 H new ATOM 0 HB3 ARG A 60 6.672 -47.199 6.724 1.00 20.00 H new ATOM 0 HG2 ARG A 60 9.303 -48.230 5.603 1.00 20.00 H new ATOM 0 HG3 ARG A 60 9.104 -46.799 6.595 1.00 20.00 H new ATOM 0 HD2 ARG A 60 8.196 -48.217 8.441 1.00 20.00 H new ATOM 0 HD3 ARG A 60 8.431 -49.643 7.450 1.00 20.00 H new ATOM 0 HE ARG A 60 10.858 -48.024 7.822 1.00 20.00 H new ATOM 0 HH11 ARG A 60 8.849 -50.654 9.067 1.00 20.00 H new ATOM 0 HH12 ARG A 60 10.181 -51.402 9.955 1.00 20.00 H new ATOM 0 HH21 ARG A 60 12.556 -49.000 8.966 1.00 20.00 H new ATOM 0 HH22 ARG A 60 12.265 -50.473 9.898 1.00 20.00 H new ATOM 1116 N SER A 61 4.777 -49.258 4.001 1.00 20.00 N ATOM 1117 CA SER A 61 3.412 -49.124 3.521 1.00 20.00 C ATOM 1118 C SER A 61 2.508 -50.171 4.161 1.00 20.00 C ATOM 1119 O SER A 61 1.320 -49.930 4.386 1.00 20.00 O ATOM 1120 CB SER A 61 3.390 -49.259 2.001 1.00 20.00 C ATOM 1121 OG SER A 61 4.177 -50.361 1.586 1.00 20.00 O ATOM 0 H SER A 61 5.403 -49.745 3.360 1.00 20.00 H new ATOM 0 HA SER A 61 3.036 -48.140 3.800 1.00 20.00 H new ATOM 0 HB2 SER A 61 2.364 -49.388 1.657 1.00 20.00 H new ATOM 0 HB3 SER A 61 3.767 -48.344 1.544 1.00 20.00 H new ATOM 0 HG SER A 61 5.091 -50.059 1.402 1.00 20.00 H new ATOM 1127 N LYS A 62 3.085 -51.324 4.471 1.00 20.00 N ATOM 1128 CA LYS A 62 2.330 -52.434 5.035 1.00 20.00 C ATOM 1129 C LYS A 62 2.174 -52.258 6.539 1.00 20.00 C ATOM 1130 O LYS A 62 3.125 -51.888 7.229 1.00 20.00 O ATOM 1131 CB LYS A 62 3.038 -53.761 4.736 1.00 20.00 C ATOM 1132 CG LYS A 62 3.328 -53.986 3.257 1.00 20.00 C ATOM 1133 CD LYS A 62 2.063 -53.937 2.407 1.00 20.00 C ATOM 1134 CE LYS A 62 1.082 -55.041 2.776 1.00 20.00 C ATOM 1135 NZ LYS A 62 1.643 -56.392 2.519 1.00 20.00 N ATOM 0 H LYS A 62 4.078 -51.515 4.340 1.00 20.00 H new ATOM 0 HA LYS A 62 1.341 -52.448 4.578 1.00 20.00 H new ATOM 0 HB2 LYS A 62 3.977 -53.794 5.289 1.00 20.00 H new ATOM 0 HB3 LYS A 62 2.422 -54.581 5.104 1.00 20.00 H new ATOM 0 HG2 LYS A 62 4.028 -53.228 2.907 1.00 20.00 H new ATOM 0 HG3 LYS A 62 3.814 -54.953 3.127 1.00 20.00 H new ATOM 0 HD2 LYS A 62 1.581 -52.968 2.531 1.00 20.00 H new ATOM 0 HD3 LYS A 62 2.330 -54.027 1.354 1.00 20.00 H new ATOM 0 HE2 LYS A 62 0.817 -54.953 3.830 1.00 20.00 H new ATOM 0 HE3 LYS A 62 0.163 -54.915 2.204 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 0.892 -57.105 2.621 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 2.028 -56.430 1.554 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 2.402 -56.589 3.202 1.00 20.00 H new ATOM 1149 N GLN A 63 0.979 -52.515 7.047 1.00 20.00 N ATOM 1150 CA GLN A 63 0.716 -52.382 8.469 1.00 20.00 C ATOM 1151 C GLN A 63 0.311 -53.729 9.046 1.00 20.00 C ATOM 1152 O GLN A 63 1.201 -54.467 9.511 1.00 20.00 O ATOM 1153 CB GLN A 63 -0.379 -51.341 8.715 1.00 20.00 C ATOM 1154 CG GLN A 63 -0.578 -50.993 10.181 1.00 20.00 C ATOM 1155 CD GLN A 63 -1.647 -49.938 10.391 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -1.885 -49.095 9.527 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -2.295 -49.972 11.542 1.00 20.00 N ATOM 1158 OXT GLN A 63 -0.890 -54.066 9.003 1.00 20.00 O ATOM 0 H GLN A 63 0.176 -52.817 6.495 1.00 20.00 H new ATOM 0 HA GLN A 63 1.625 -52.044 8.967 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -0.133 -50.432 8.166 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -1.319 -51.714 8.309 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -0.849 -51.894 10.731 1.00 20.00 H new ATOM 0 HG3 GLN A 63 0.365 -50.638 10.597 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -2.069 -50.687 12.234 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -3.021 -49.283 11.739 1.00 20.00 H new TER 1167 GLN A 63