USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=18 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 Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot -76:sc= 0.0672 USER MOD Single : A 8 MET CE :methyl -160:sc= -0.145 (180deg=-0.786) USER MOD Single : A -4 LYS NZ :NH3+ -171:sc=-0.00253 (180deg=-0.096) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 144:sc= -0.504 (180deg=-1.56!) USER MOD Single : A -7 MET N :NH3+ -137:sc= -0.0168 (180deg=-0.279) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -150:sc= -0.061 USER MOD Single : A 17 GLN : amide:sc= -1.05 K(o=-1,f=-2.3!) USER MOD Single : A 19 ASN : amide:sc= 0.0113 X(o=0.011,f=0) USER MOD Single : A 20 SER OG : rot -80:sc= 0.0861 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.103 K(o=-0.1,f=0.55) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= -0.0237 (180deg=-0.143) USER MOD Single : A 31 THR OG1 : rot 180:sc=0.000929 USER MOD Single : A 32 SER OG : rot -100: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 -174:sc= 0 (180deg=-0.0116) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= -0.024 (180deg=-0.22) USER MOD Single : A 56 MET CE :methyl 152:sc= -0.0452 (180deg=-0.389) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -171:sc=-0.00576 (180deg=-0.106) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 3.733 7.194 -22.846 1.00 20.00 N ATOM 2 CA MET A -7 4.902 7.871 -22.233 1.00 20.00 C ATOM 3 C MET A -7 4.584 8.235 -20.792 1.00 20.00 C ATOM 4 O MET A -7 3.440 8.555 -20.473 1.00 20.00 O ATOM 5 CB MET A -7 5.267 9.143 -23.010 1.00 20.00 C ATOM 6 CG MET A -7 5.610 8.925 -24.481 1.00 20.00 C ATOM 7 SD MET A -7 7.132 7.987 -24.739 1.00 20.00 S ATOM 8 CE MET A -7 6.522 6.301 -24.756 1.00 20.00 C ATOM 0 H1 MET A -7 4.057 6.378 -23.404 1.00 20.00 H new ATOM 0 H2 MET A -7 3.089 6.868 -22.097 1.00 20.00 H new ATOM 0 H3 MET A -7 3.232 7.861 -23.467 1.00 20.00 H new ATOM 0 HA MET A -7 5.750 7.187 -22.265 1.00 20.00 H new ATOM 0 HB2 MET A -7 4.432 9.841 -22.947 1.00 20.00 H new ATOM 0 HB3 MET A -7 6.117 9.618 -22.521 1.00 20.00 H new ATOM 0 HG2 MET A -7 4.785 8.402 -24.964 1.00 20.00 H new ATOM 0 HG3 MET A -7 5.703 9.894 -24.971 1.00 20.00 H new ATOM 0 HE1 MET A -7 7.092 5.715 -25.477 1.00 20.00 H new ATOM 0 HE2 MET A -7 6.633 5.864 -23.764 1.00 20.00 H new ATOM 0 HE3 MET A -7 5.469 6.298 -25.038 1.00 20.00 H new ATOM 20 N ASP A -6 5.585 8.188 -19.925 1.00 20.00 N ATOM 21 CA ASP A -6 5.400 8.529 -18.517 1.00 20.00 C ATOM 22 C ASP A -6 6.583 9.346 -18.016 1.00 20.00 C ATOM 23 O ASP A -6 6.975 9.255 -16.852 1.00 20.00 O ATOM 24 CB ASP A -6 5.246 7.267 -17.658 1.00 20.00 C ATOM 25 CG ASP A -6 4.017 6.451 -18.007 1.00 20.00 C ATOM 26 OD1 ASP A -6 2.891 6.917 -17.749 1.00 20.00 O ATOM 27 OD2 ASP A -6 4.172 5.329 -18.533 1.00 20.00 O ATOM 0 H ASP A -6 6.537 7.917 -20.170 1.00 20.00 H new ATOM 0 HA ASP A -6 4.487 9.119 -18.432 1.00 20.00 H new ATOM 0 HB2 ASP A -6 6.133 6.644 -17.777 1.00 20.00 H new ATOM 0 HB3 ASP A -6 5.197 7.554 -16.608 1.00 20.00 H new ATOM 32 N TYR A -5 7.141 10.150 -18.904 1.00 20.00 N ATOM 33 CA TYR A -5 8.347 10.911 -18.604 1.00 20.00 C ATOM 34 C TYR A -5 8.010 12.239 -17.935 1.00 20.00 C ATOM 35 O TYR A -5 8.521 12.550 -16.861 1.00 20.00 O ATOM 36 CB TYR A -5 9.145 11.155 -19.889 1.00 20.00 C ATOM 37 CG TYR A -5 10.426 11.931 -19.683 1.00 20.00 C ATOM 38 CD1 TYR A -5 11.577 11.304 -19.228 1.00 20.00 C ATOM 39 CD2 TYR A -5 10.485 13.291 -19.959 1.00 20.00 C ATOM 40 CE1 TYR A -5 12.750 12.010 -19.053 1.00 20.00 C ATOM 41 CE2 TYR A -5 11.655 14.003 -19.784 1.00 20.00 C ATOM 42 CZ TYR A -5 12.783 13.359 -19.332 1.00 20.00 C ATOM 43 OH TYR A -5 13.952 14.067 -19.165 1.00 20.00 O ATOM 0 H TYR A -5 6.777 10.295 -19.846 1.00 20.00 H new ATOM 0 HA TYR A -5 8.952 10.328 -17.909 1.00 20.00 H new ATOM 0 HB2 TYR A -5 9.384 10.193 -20.343 1.00 20.00 H new ATOM 0 HB3 TYR A -5 8.516 11.694 -20.597 1.00 20.00 H new ATOM 0 HD1 TYR A -5 11.555 10.247 -19.007 1.00 20.00 H new ATOM 0 HD2 TYR A -5 9.602 13.800 -20.316 1.00 20.00 H new ATOM 0 HE1 TYR A -5 13.638 11.507 -18.699 1.00 20.00 H new ATOM 0 HE2 TYR A -5 11.684 15.061 -20.001 1.00 20.00 H new ATOM 0 HH TYR A -5 13.804 15.005 -19.407 1.00 20.00 H new ATOM 53 N LYS A -4 7.158 13.024 -18.577 1.00 20.00 N ATOM 54 CA LYS A -4 6.782 14.331 -18.050 1.00 20.00 C ATOM 55 C LYS A -4 5.284 14.388 -17.780 1.00 20.00 C ATOM 56 O LYS A -4 4.729 15.444 -17.472 1.00 20.00 O ATOM 57 CB LYS A -4 7.198 15.441 -19.019 1.00 20.00 C ATOM 58 CG LYS A -4 6.645 15.279 -20.430 1.00 20.00 C ATOM 59 CD LYS A -4 7.089 16.422 -21.327 1.00 20.00 C ATOM 60 CE LYS A -4 6.535 16.282 -22.738 1.00 20.00 C ATOM 61 NZ LYS A -4 7.067 15.080 -23.436 1.00 20.00 N ATOM 0 H LYS A -4 6.714 12.781 -19.462 1.00 20.00 H new ATOM 0 HA LYS A -4 7.306 14.485 -17.107 1.00 20.00 H new ATOM 0 HB2 LYS A -4 6.867 16.400 -18.619 1.00 20.00 H new ATOM 0 HB3 LYS A -4 8.286 15.475 -19.069 1.00 20.00 H new ATOM 0 HG2 LYS A -4 6.983 14.331 -20.850 1.00 20.00 H new ATOM 0 HG3 LYS A -4 5.556 15.242 -20.395 1.00 20.00 H new ATOM 0 HD2 LYS A -4 6.759 17.369 -20.899 1.00 20.00 H new ATOM 0 HD3 LYS A -4 8.178 16.452 -21.365 1.00 20.00 H new ATOM 0 HE2 LYS A -4 5.447 16.223 -22.695 1.00 20.00 H new ATOM 0 HE3 LYS A -4 6.783 17.174 -23.314 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 6.786 15.107 -24.437 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 8.105 15.070 -23.368 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 6.683 14.222 -22.991 1.00 20.00 H new ATOM 75 N ASP A -3 4.648 13.235 -17.892 1.00 20.00 N ATOM 76 CA ASP A -3 3.219 13.113 -17.648 1.00 20.00 C ATOM 77 C ASP A -3 2.879 11.708 -17.172 1.00 20.00 C ATOM 78 O ASP A -3 3.085 10.732 -17.894 1.00 20.00 O ATOM 79 CB ASP A -3 2.421 13.454 -18.914 1.00 20.00 C ATOM 80 CG ASP A -3 1.023 12.856 -18.913 1.00 20.00 C ATOM 81 OD1 ASP A -3 0.226 13.179 -18.005 1.00 20.00 O ATOM 82 OD2 ASP A -3 0.716 12.066 -19.836 1.00 20.00 O ATOM 0 H ASP A -3 5.103 12.360 -18.153 1.00 20.00 H new ATOM 0 HA ASP A -3 2.944 13.822 -16.867 1.00 20.00 H new ATOM 0 HB2 ASP A -3 2.347 14.537 -19.010 1.00 20.00 H new ATOM 0 HB3 ASP A -3 2.964 13.093 -19.788 1.00 20.00 H new ATOM 87 N ASP A -2 2.392 11.613 -15.945 1.00 20.00 N ATOM 88 CA ASP A -2 1.912 10.346 -15.400 1.00 20.00 C ATOM 89 C ASP A -2 0.401 10.406 -15.271 1.00 20.00 C ATOM 90 O ASP A -2 -0.321 9.494 -15.670 1.00 20.00 O ATOM 91 CB ASP A -2 2.546 10.061 -14.034 1.00 20.00 C ATOM 92 CG ASP A -2 2.024 8.781 -13.404 1.00 20.00 C ATOM 93 OD1 ASP A -2 2.472 7.686 -13.805 1.00 20.00 O ATOM 94 OD2 ASP A -2 1.171 8.864 -12.493 1.00 20.00 O ATOM 0 H ASP A -2 2.317 12.401 -15.302 1.00 20.00 H new ATOM 0 HA ASP A -2 2.196 9.539 -16.075 1.00 20.00 H new ATOM 0 HB2 ASP A -2 3.628 9.991 -14.147 1.00 20.00 H new ATOM 0 HB3 ASP A -2 2.349 10.898 -13.364 1.00 20.00 H new ATOM 99 N ASP A -1 -0.058 11.510 -14.714 1.00 20.00 N ATOM 100 CA ASP A -1 -1.478 11.804 -14.591 1.00 20.00 C ATOM 101 C ASP A -1 -1.643 13.318 -14.648 1.00 20.00 C ATOM 102 O ASP A -1 -2.541 13.906 -14.047 1.00 20.00 O ATOM 103 CB ASP A -1 -2.034 11.228 -13.280 1.00 20.00 C ATOM 104 CG ASP A -1 -3.538 11.379 -13.147 1.00 20.00 C ATOM 105 OD1 ASP A -1 -4.275 10.771 -13.947 1.00 20.00 O ATOM 106 OD2 ASP A -1 -3.990 12.089 -12.223 1.00 20.00 O ATOM 0 H ASP A -1 0.547 12.236 -14.330 1.00 20.00 H new ATOM 0 HA ASP A -1 -2.039 11.342 -15.403 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -1.775 10.171 -13.217 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -1.550 11.725 -12.439 1.00 20.00 H new ATOM 111 N ASP A 0 -0.735 13.939 -15.385 1.00 20.00 N ATOM 112 CA ASP A 0 -0.646 15.389 -15.454 1.00 20.00 C ATOM 113 C ASP A 0 -1.506 15.914 -16.589 1.00 20.00 C ATOM 114 O ASP A 0 -2.317 16.824 -16.407 1.00 20.00 O ATOM 115 CB ASP A 0 0.810 15.817 -15.662 1.00 20.00 C ATOM 116 CG ASP A 0 1.734 15.300 -14.576 1.00 20.00 C ATOM 117 OD1 ASP A 0 2.152 14.122 -14.650 1.00 20.00 O ATOM 118 OD2 ASP A 0 2.051 16.065 -13.641 1.00 20.00 O ATOM 0 H ASP A 0 -0.040 13.453 -15.951 1.00 20.00 H new ATOM 0 HA ASP A 0 -1.008 15.807 -14.515 1.00 20.00 H new ATOM 0 HB2 ASP A 0 1.156 15.455 -16.630 1.00 20.00 H new ATOM 0 HB3 ASP A 0 0.864 16.905 -15.691 1.00 20.00 H new ATOM 123 N LYS A 1 -1.330 15.320 -17.757 1.00 20.00 N ATOM 124 CA LYS A 1 -2.102 15.689 -18.930 1.00 20.00 C ATOM 125 C LYS A 1 -3.411 14.908 -18.936 1.00 20.00 C ATOM 126 O LYS A 1 -4.371 15.270 -19.618 1.00 20.00 O ATOM 127 CB LYS A 1 -1.298 15.394 -20.204 1.00 20.00 C ATOM 128 CG LYS A 1 -1.805 16.126 -21.437 1.00 20.00 C ATOM 129 CD LYS A 1 -1.609 17.629 -21.307 1.00 20.00 C ATOM 130 CE LYS A 1 -2.067 18.363 -22.555 1.00 20.00 C ATOM 131 NZ LYS A 1 -1.811 19.823 -22.462 1.00 20.00 N ATOM 0 H LYS A 1 -0.653 14.574 -17.918 1.00 20.00 H new ATOM 0 HA LYS A 1 -2.321 16.756 -18.901 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -0.256 15.666 -20.035 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -1.321 14.321 -20.396 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -1.279 15.763 -22.320 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -2.862 15.906 -21.584 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -2.165 17.996 -20.444 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -0.556 17.845 -21.123 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -1.550 17.958 -23.425 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -3.132 18.190 -22.708 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -2.137 20.289 -23.333 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -2.325 20.214 -21.647 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -0.792 19.990 -22.341 1.00 20.00 H new ATOM 145 N ASN A 2 -3.438 13.846 -18.142 1.00 20.00 N ATOM 146 CA ASN A 2 -4.607 12.978 -18.035 1.00 20.00 C ATOM 147 C ASN A 2 -5.542 13.481 -16.941 1.00 20.00 C ATOM 148 O ASN A 2 -5.121 14.220 -16.049 1.00 20.00 O ATOM 149 CB ASN A 2 -4.178 11.538 -17.723 1.00 20.00 C ATOM 150 CG ASN A 2 -3.378 10.895 -18.843 1.00 20.00 C ATOM 151 OD1 ASN A 2 -3.941 10.268 -19.741 1.00 20.00 O ATOM 152 ND2 ASN A 2 -2.059 11.037 -18.800 1.00 20.00 N ATOM 0 H ASN A 2 -2.654 13.561 -17.555 1.00 20.00 H new ATOM 0 HA ASN A 2 -5.133 12.994 -18.990 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -3.582 11.533 -16.811 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -5.065 10.936 -17.527 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -1.477 10.620 -19.526 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -1.627 11.563 -18.041 1.00 20.00 H new ATOM 159 N ARG A 3 -6.807 13.089 -17.009 1.00 20.00 N ATOM 160 CA ARG A 3 -7.781 13.483 -15.997 1.00 20.00 C ATOM 161 C ARG A 3 -8.026 12.341 -15.021 1.00 20.00 C ATOM 162 O ARG A 3 -8.247 11.201 -15.434 1.00 20.00 O ATOM 163 CB ARG A 3 -9.106 13.904 -16.639 1.00 20.00 C ATOM 164 CG ARG A 3 -9.006 15.146 -17.507 1.00 20.00 C ATOM 165 CD ARG A 3 -10.375 15.599 -17.988 1.00 20.00 C ATOM 166 NE ARG A 3 -10.287 16.785 -18.837 1.00 20.00 N ATOM 167 CZ ARG A 3 -11.255 17.693 -18.958 1.00 20.00 C ATOM 168 NH1 ARG A 3 -12.388 17.559 -18.273 1.00 20.00 N ATOM 169 NH2 ARG A 3 -11.086 18.740 -19.759 1.00 20.00 N ATOM 0 H ARG A 3 -7.183 12.500 -17.752 1.00 20.00 H new ATOM 0 HA ARG A 3 -7.371 14.336 -15.457 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -9.482 13.080 -17.245 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -9.839 14.082 -15.852 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -8.533 15.949 -16.942 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -8.367 14.941 -18.366 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -10.852 14.790 -18.542 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -11.010 15.814 -17.128 1.00 20.00 H new ATOM 0 HE ARG A 3 -9.430 16.927 -19.371 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -12.518 16.760 -17.653 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -13.127 18.256 -18.368 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -10.216 18.848 -20.280 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -11.826 19.435 -19.852 1.00 20.00 H new ATOM 183 N ALA A 4 -7.979 12.651 -13.733 1.00 20.00 N ATOM 184 CA ALA A 4 -8.180 11.654 -12.690 1.00 20.00 C ATOM 185 C ALA A 4 -9.642 11.228 -12.611 1.00 20.00 C ATOM 186 O ALA A 4 -10.471 11.924 -12.017 1.00 20.00 O ATOM 187 CB ALA A 4 -7.718 12.202 -11.350 1.00 20.00 C ATOM 0 H ALA A 4 -7.802 13.593 -13.383 1.00 20.00 H new ATOM 0 HA ALA A 4 -7.586 10.775 -12.940 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -7.872 11.450 -10.577 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -6.659 12.454 -11.405 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -8.291 13.096 -11.106 1.00 20.00 H new ATOM 193 N LEU A 5 -9.950 10.086 -13.216 1.00 20.00 N ATOM 194 CA LEU A 5 -11.308 9.560 -13.224 1.00 20.00 C ATOM 195 C LEU A 5 -11.768 9.240 -11.804 1.00 20.00 C ATOM 196 O LEU A 5 -11.025 8.649 -11.018 1.00 20.00 O ATOM 197 CB LEU A 5 -11.378 8.304 -14.100 1.00 20.00 C ATOM 198 CG LEU A 5 -10.915 8.493 -15.549 1.00 20.00 C ATOM 199 CD1 LEU A 5 -10.993 7.177 -16.308 1.00 20.00 C ATOM 200 CD2 LEU A 5 -11.744 9.560 -16.253 1.00 20.00 C ATOM 0 H LEU A 5 -9.272 9.505 -13.710 1.00 20.00 H new ATOM 0 HA LEU A 5 -11.973 10.318 -13.638 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -10.770 7.525 -13.640 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -12.406 7.943 -14.108 1.00 20.00 H new ATOM 0 HG LEU A 5 -9.877 8.826 -15.531 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -10.661 7.329 -17.335 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -10.352 6.440 -15.825 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -12.022 6.818 -16.309 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -11.395 9.674 -17.279 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -12.792 9.262 -16.258 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -11.639 10.509 -15.726 1.00 20.00 H new ATOM 212 N SER A 6 -12.982 9.652 -11.477 1.00 20.00 N ATOM 213 CA SER A 6 -13.543 9.446 -10.155 1.00 20.00 C ATOM 214 C SER A 6 -15.067 9.545 -10.216 1.00 20.00 C ATOM 215 O SER A 6 -15.605 10.396 -10.924 1.00 20.00 O ATOM 216 CB SER A 6 -12.961 10.481 -9.182 1.00 20.00 C ATOM 217 OG SER A 6 -12.817 11.749 -9.807 1.00 20.00 O ATOM 0 H SER A 6 -13.605 10.138 -12.122 1.00 20.00 H new ATOM 0 HA SER A 6 -13.282 8.450 -9.796 1.00 20.00 H new ATOM 0 HB2 SER A 6 -13.612 10.573 -8.312 1.00 20.00 H new ATOM 0 HB3 SER A 6 -11.992 10.139 -8.820 1.00 20.00 H new ATOM 0 HG SER A 6 -12.036 11.735 -10.399 1.00 20.00 H new ATOM 223 N PRO A 7 -15.778 8.662 -9.490 1.00 20.00 N ATOM 224 CA PRO A 7 -17.247 8.606 -9.514 1.00 20.00 C ATOM 225 C PRO A 7 -17.888 9.938 -9.135 1.00 20.00 C ATOM 226 O PRO A 7 -17.770 10.399 -7.998 1.00 20.00 O ATOM 227 CB PRO A 7 -17.596 7.529 -8.475 1.00 20.00 C ATOM 228 CG PRO A 7 -16.358 7.348 -7.662 1.00 20.00 C ATOM 229 CD PRO A 7 -15.210 7.655 -8.581 1.00 20.00 C ATOM 0 HA PRO A 7 -17.621 8.383 -10.513 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -18.434 7.841 -7.851 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -17.889 6.597 -8.958 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -16.357 8.015 -6.800 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -16.289 6.330 -7.278 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -14.349 8.042 -8.036 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -14.875 6.768 -9.119 1.00 20.00 H new ATOM 237 N MET A 8 -18.583 10.542 -10.090 1.00 20.00 N ATOM 238 CA MET A 8 -19.202 11.849 -9.887 1.00 20.00 C ATOM 239 C MET A 8 -20.585 11.703 -9.272 1.00 20.00 C ATOM 240 O MET A 8 -21.567 12.241 -9.788 1.00 20.00 O ATOM 241 CB MET A 8 -19.306 12.621 -11.206 1.00 20.00 C ATOM 242 CG MET A 8 -17.967 13.052 -11.782 1.00 20.00 C ATOM 243 SD MET A 8 -18.145 13.987 -13.315 1.00 20.00 S ATOM 244 CE MET A 8 -18.983 12.787 -14.348 1.00 20.00 C ATOM 0 H MET A 8 -18.734 10.147 -11.018 1.00 20.00 H new ATOM 0 HA MET A 8 -18.565 12.409 -9.202 1.00 20.00 H new ATOM 0 HB2 MET A 8 -19.821 11.999 -11.938 1.00 20.00 H new ATOM 0 HB3 MET A 8 -19.923 13.506 -11.049 1.00 20.00 H new ATOM 0 HG2 MET A 8 -17.438 13.660 -11.048 1.00 20.00 H new ATOM 0 HG3 MET A 8 -17.354 12.170 -11.967 1.00 20.00 H new ATOM 0 HE1 MET A 8 -18.853 13.055 -15.396 1.00 20.00 H new ATOM 0 HE2 MET A 8 -18.561 11.797 -14.171 1.00 20.00 H new ATOM 0 HE3 MET A 8 -20.046 12.777 -14.105 1.00 20.00 H new ATOM 254 N VAL A 9 -20.657 10.980 -8.171 1.00 20.00 N ATOM 255 CA VAL A 9 -21.916 10.775 -7.477 1.00 20.00 C ATOM 256 C VAL A 9 -22.106 11.834 -6.396 1.00 20.00 C ATOM 257 O VAL A 9 -21.199 12.098 -5.604 1.00 20.00 O ATOM 258 CB VAL A 9 -22.015 9.359 -6.858 1.00 20.00 C ATOM 259 CG1 VAL A 9 -22.122 8.308 -7.952 1.00 20.00 C ATOM 260 CG2 VAL A 9 -20.822 9.060 -5.956 1.00 20.00 C ATOM 0 H VAL A 9 -19.856 10.523 -7.736 1.00 20.00 H new ATOM 0 HA VAL A 9 -22.712 10.867 -8.216 1.00 20.00 H new ATOM 0 HB VAL A 9 -22.916 9.327 -6.245 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -22.191 7.318 -7.500 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -23.013 8.496 -8.551 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -21.239 8.355 -8.590 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -20.924 8.058 -5.538 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -19.902 9.119 -6.538 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -20.786 9.789 -5.146 1.00 20.00 H new ATOM 270 N SER A 10 -23.279 12.446 -6.369 1.00 20.00 N ATOM 271 CA SER A 10 -23.556 13.520 -5.423 1.00 20.00 C ATOM 272 C SER A 10 -24.851 13.254 -4.663 1.00 20.00 C ATOM 273 O SER A 10 -25.648 14.167 -4.424 1.00 20.00 O ATOM 274 CB SER A 10 -23.641 14.858 -6.160 1.00 20.00 C ATOM 275 OG SER A 10 -22.454 15.115 -6.889 1.00 20.00 O ATOM 0 H SER A 10 -24.056 12.219 -6.990 1.00 20.00 H new ATOM 0 HA SER A 10 -22.740 13.562 -4.701 1.00 20.00 H new ATOM 0 HB2 SER A 10 -24.494 14.849 -6.839 1.00 20.00 H new ATOM 0 HB3 SER A 10 -23.812 15.661 -5.443 1.00 20.00 H new ATOM 0 HG SER A 10 -22.534 15.975 -7.352 1.00 20.00 H new ATOM 281 N GLU A 11 -25.053 12.002 -4.285 1.00 20.00 N ATOM 282 CA GLU A 11 -26.263 11.596 -3.589 1.00 20.00 C ATOM 283 C GLU A 11 -26.060 10.240 -2.924 1.00 20.00 C ATOM 284 O GLU A 11 -25.328 9.389 -3.438 1.00 20.00 O ATOM 285 CB GLU A 11 -27.442 11.560 -4.568 1.00 20.00 C ATOM 286 CG GLU A 11 -27.217 10.662 -5.770 1.00 20.00 C ATOM 287 CD GLU A 11 -28.016 11.100 -6.982 1.00 20.00 C ATOM 288 OE1 GLU A 11 -29.253 10.924 -6.987 1.00 20.00 O ATOM 289 OE2 GLU A 11 -27.409 11.620 -7.939 1.00 20.00 O ATOM 0 H GLU A 11 -24.390 11.245 -4.450 1.00 20.00 H new ATOM 0 HA GLU A 11 -26.488 12.323 -2.808 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -28.332 11.223 -4.037 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -27.643 12.573 -4.916 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -26.156 10.656 -6.021 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -27.489 9.639 -5.511 1.00 20.00 H new ATOM 296 N PHE A 12 -26.686 10.052 -1.774 1.00 20.00 N ATOM 297 CA PHE A 12 -26.557 8.812 -1.028 1.00 20.00 C ATOM 298 C PHE A 12 -27.835 7.991 -1.138 1.00 20.00 C ATOM 299 O PHE A 12 -28.761 8.135 -0.339 1.00 20.00 O ATOM 300 CB PHE A 12 -26.231 9.100 0.438 1.00 20.00 C ATOM 301 CG PHE A 12 -25.882 7.870 1.235 1.00 20.00 C ATOM 302 CD1 PHE A 12 -24.705 7.180 0.988 1.00 20.00 C ATOM 303 CD2 PHE A 12 -26.728 7.404 2.230 1.00 20.00 C ATOM 304 CE1 PHE A 12 -24.380 6.052 1.714 1.00 20.00 C ATOM 305 CE2 PHE A 12 -26.406 6.277 2.961 1.00 20.00 C ATOM 306 CZ PHE A 12 -25.231 5.599 2.702 1.00 20.00 C ATOM 0 H PHE A 12 -27.291 10.746 -1.335 1.00 20.00 H new ATOM 0 HA PHE A 12 -25.737 8.235 -1.456 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -25.397 9.801 0.485 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -27.087 9.591 0.901 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -24.034 7.530 0.218 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -27.649 7.928 2.436 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -23.460 5.524 1.509 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -27.073 5.926 3.735 1.00 20.00 H new ATOM 0 HZ PHE A 12 -24.979 4.716 3.271 1.00 20.00 H new ATOM 316 N GLU A 13 -27.880 7.143 -2.148 1.00 20.00 N ATOM 317 CA GLU A 13 -29.013 6.258 -2.367 1.00 20.00 C ATOM 318 C GLU A 13 -28.608 4.812 -2.112 1.00 20.00 C ATOM 319 O GLU A 13 -29.215 3.876 -2.635 1.00 20.00 O ATOM 320 CB GLU A 13 -29.534 6.414 -3.793 1.00 20.00 C ATOM 321 CG GLU A 13 -28.476 6.152 -4.854 1.00 20.00 C ATOM 322 CD GLU A 13 -29.037 6.198 -6.255 1.00 20.00 C ATOM 323 OE1 GLU A 13 -29.527 5.155 -6.739 1.00 20.00 O ATOM 324 OE2 GLU A 13 -28.995 7.276 -6.879 1.00 20.00 O ATOM 0 H GLU A 13 -27.136 7.047 -2.839 1.00 20.00 H new ATOM 0 HA GLU A 13 -29.807 6.527 -1.671 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -30.368 5.728 -3.945 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -29.924 7.424 -3.921 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -27.681 6.892 -4.760 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -28.025 5.175 -4.679 1.00 20.00 H new ATOM 331 N THR A 14 -27.577 4.643 -1.304 1.00 20.00 N ATOM 332 CA THR A 14 -27.049 3.331 -0.988 1.00 20.00 C ATOM 333 C THR A 14 -27.892 2.675 0.108 1.00 20.00 C ATOM 334 O THR A 14 -27.442 2.472 1.236 1.00 20.00 O ATOM 335 CB THR A 14 -25.576 3.448 -0.548 1.00 20.00 C ATOM 336 OG1 THR A 14 -24.861 4.254 -1.494 1.00 20.00 O ATOM 337 CG2 THR A 14 -24.917 2.084 -0.451 1.00 20.00 C ATOM 0 H THR A 14 -27.084 5.411 -0.850 1.00 20.00 H new ATOM 0 HA THR A 14 -27.095 2.703 -1.878 1.00 20.00 H new ATOM 0 HB THR A 14 -25.551 3.910 0.439 1.00 20.00 H new ATOM 0 HG1 THR A 14 -23.924 3.968 -1.526 1.00 20.00 H new ATOM 0 HG21 THR A 14 -23.879 2.203 -0.139 1.00 20.00 H new ATOM 0 HG22 THR A 14 -25.449 1.474 0.280 1.00 20.00 H new ATOM 0 HG23 THR A 14 -24.949 1.594 -1.424 1.00 20.00 H new ATOM 345 N ILE A 15 -29.126 2.357 -0.246 1.00 20.00 N ATOM 346 CA ILE A 15 -30.093 1.815 0.696 1.00 20.00 C ATOM 347 C ILE A 15 -29.940 0.303 0.832 1.00 20.00 C ATOM 348 O ILE A 15 -29.872 -0.234 1.943 1.00 20.00 O ATOM 349 CB ILE A 15 -31.537 2.142 0.246 1.00 20.00 C ATOM 350 CG1 ILE A 15 -31.747 3.657 0.167 1.00 20.00 C ATOM 351 CG2 ILE A 15 -32.548 1.512 1.190 1.00 20.00 C ATOM 352 CD1 ILE A 15 -33.112 4.059 -0.350 1.00 20.00 C ATOM 0 H ILE A 15 -29.486 2.467 -1.194 1.00 20.00 H new ATOM 0 HA ILE A 15 -29.901 2.279 1.664 1.00 20.00 H new ATOM 0 HB ILE A 15 -31.688 1.722 -0.748 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -31.604 4.086 1.159 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -30.983 4.087 -0.480 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -33.557 1.754 0.856 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -32.417 0.430 1.194 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -32.396 1.900 2.197 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -33.185 5.146 -0.377 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -33.252 3.661 -1.355 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -33.883 3.660 0.309 1.00 20.00 H new ATOM 364 N GLU A 16 -29.854 -0.372 -0.304 1.00 20.00 N ATOM 365 CA GLU A 16 -29.844 -1.827 -0.334 1.00 20.00 C ATOM 366 C GLU A 16 -28.602 -2.394 0.338 1.00 20.00 C ATOM 367 O GLU A 16 -28.690 -3.355 1.097 1.00 20.00 O ATOM 368 CB GLU A 16 -29.941 -2.330 -1.774 1.00 20.00 C ATOM 369 CG GLU A 16 -31.275 -2.017 -2.433 1.00 20.00 C ATOM 370 CD GLU A 16 -32.449 -2.566 -1.650 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.700 -3.787 -1.726 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.129 -1.780 -0.957 1.00 20.00 O ATOM 0 H GLU A 16 -29.790 0.067 -1.222 1.00 20.00 H new ATOM 0 HA GLU A 16 -30.713 -2.174 0.225 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -29.140 -1.883 -2.362 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -29.782 -3.408 -1.786 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -31.383 -0.937 -2.534 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.286 -2.434 -3.440 1.00 20.00 H new ATOM 379 N GLN A 17 -27.452 -1.782 0.083 1.00 20.00 N ATOM 380 CA GLN A 17 -26.185 -2.265 0.634 1.00 20.00 C ATOM 381 C GLN A 17 -26.186 -2.222 2.161 1.00 20.00 C ATOM 382 O GLN A 17 -25.487 -2.996 2.811 1.00 20.00 O ATOM 383 CB GLN A 17 -25.005 -1.448 0.101 1.00 20.00 C ATOM 384 CG GLN A 17 -24.593 -1.768 -1.335 1.00 20.00 C ATOM 385 CD GLN A 17 -25.670 -1.461 -2.358 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.762 -0.344 -2.863 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.484 -2.453 -2.685 1.00 20.00 N ATOM 0 H GLN A 17 -27.367 -0.950 -0.501 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.074 -3.301 0.314 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.258 -0.390 0.163 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -24.147 -1.609 0.754 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -23.696 -1.200 -1.582 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.330 -2.824 -1.402 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.377 -3.367 -2.245 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -27.218 -2.303 -3.377 1.00 20.00 H new ATOM 396 N GLU A 18 -26.991 -1.333 2.726 1.00 20.00 N ATOM 397 CA GLU A 18 -27.031 -1.157 4.171 1.00 20.00 C ATOM 398 C GLU A 18 -27.891 -2.240 4.824 1.00 20.00 C ATOM 399 O GLU A 18 -27.621 -2.672 5.942 1.00 20.00 O ATOM 400 CB GLU A 18 -27.568 0.241 4.517 1.00 20.00 C ATOM 401 CG GLU A 18 -27.459 0.606 5.992 1.00 20.00 C ATOM 402 CD GLU A 18 -27.980 1.999 6.281 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.434 2.970 5.716 1.00 20.00 O ATOM 404 OE2 GLU A 18 -28.933 2.132 7.077 1.00 20.00 O ATOM 0 H GLU A 18 -27.624 -0.724 2.207 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.017 -1.249 4.561 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.025 0.982 3.930 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.614 0.301 4.216 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.017 -0.118 6.585 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.417 0.538 6.304 1.00 20.00 H new ATOM 411 N ASN A 19 -28.928 -2.675 4.120 1.00 20.00 N ATOM 412 CA ASN A 19 -29.841 -3.694 4.647 1.00 20.00 C ATOM 413 C ASN A 19 -29.420 -5.106 4.250 1.00 20.00 C ATOM 414 O ASN A 19 -29.781 -6.077 4.910 1.00 20.00 O ATOM 415 CB ASN A 19 -31.271 -3.428 4.176 1.00 20.00 C ATOM 416 CG ASN A 19 -31.952 -2.337 4.980 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.622 -2.616 5.974 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.783 -1.089 4.567 1.00 20.00 N ATOM 0 H ASN A 19 -29.162 -2.342 3.185 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.798 -3.628 5.734 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.257 -3.145 3.124 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.852 -4.347 4.251 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.216 -0.320 5.078 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.220 -0.898 3.738 1.00 20.00 H new ATOM 425 N SER A 20 -28.646 -5.218 3.183 1.00 20.00 N ATOM 426 CA SER A 20 -28.265 -6.518 2.638 1.00 20.00 C ATOM 427 C SER A 20 -27.155 -7.180 3.447 1.00 20.00 C ATOM 428 O SER A 20 -26.814 -8.334 3.203 1.00 20.00 O ATOM 429 CB SER A 20 -27.838 -6.381 1.178 1.00 20.00 C ATOM 430 OG SER A 20 -26.896 -5.339 1.028 1.00 20.00 O ATOM 0 H SER A 20 -28.266 -4.421 2.672 1.00 20.00 H new ATOM 0 HA SER A 20 -29.144 -7.160 2.699 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.407 -7.320 0.830 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.711 -6.181 0.556 1.00 20.00 H new ATOM 0 HG SER A 20 -27.362 -4.477 1.010 1.00 20.00 H new ATOM 436 N TYR A 21 -26.578 -6.433 4.386 1.00 20.00 N ATOM 437 CA TYR A 21 -25.444 -6.905 5.189 1.00 20.00 C ATOM 438 C TYR A 21 -25.670 -8.318 5.743 1.00 20.00 C ATOM 439 O TYR A 21 -24.748 -9.128 5.785 1.00 20.00 O ATOM 440 CB TYR A 21 -25.168 -5.931 6.347 1.00 20.00 C ATOM 441 CG TYR A 21 -26.191 -5.987 7.468 1.00 20.00 C ATOM 442 CD1 TYR A 21 -27.430 -5.372 7.342 1.00 20.00 C ATOM 443 CD2 TYR A 21 -25.916 -6.664 8.652 1.00 20.00 C ATOM 444 CE1 TYR A 21 -28.363 -5.430 8.358 1.00 20.00 C ATOM 445 CE2 TYR A 21 -26.845 -6.726 9.672 1.00 20.00 C ATOM 446 CZ TYR A 21 -28.066 -6.107 9.520 1.00 20.00 C ATOM 447 OH TYR A 21 -28.995 -6.170 10.535 1.00 20.00 O ATOM 0 H TYR A 21 -26.880 -5.486 4.614 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.579 -6.945 4.527 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.182 -6.145 6.760 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.134 -4.916 5.952 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -27.668 -4.839 6.433 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.959 -7.150 8.776 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -29.322 -4.947 8.242 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -26.615 -7.257 10.584 1.00 20.00 H new ATOM 0 HH TYR A 21 -28.628 -6.686 11.283 1.00 20.00 H new ATOM 457 N ASN A 22 -26.895 -8.611 6.162 1.00 20.00 N ATOM 458 CA ASN A 22 -27.211 -9.914 6.745 1.00 20.00 C ATOM 459 C ASN A 22 -27.582 -10.923 5.665 1.00 20.00 C ATOM 460 O ASN A 22 -27.448 -12.132 5.855 1.00 20.00 O ATOM 461 CB ASN A 22 -28.354 -9.785 7.758 1.00 20.00 C ATOM 462 CG ASN A 22 -29.619 -9.206 7.148 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.791 -7.991 7.097 1.00 20.00 O ATOM 464 ND2 ASN A 22 -30.514 -10.067 6.690 1.00 20.00 N ATOM 0 H ASN A 22 -27.685 -7.968 6.110 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.320 -10.275 7.259 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.575 -10.767 8.177 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.031 -9.151 8.584 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -31.383 -9.728 6.277 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.335 -11.069 6.750 1.00 20.00 H new ATOM 471 N GLU A 23 -28.035 -10.417 4.533 1.00 20.00 N ATOM 472 CA GLU A 23 -28.444 -11.258 3.420 1.00 20.00 C ATOM 473 C GLU A 23 -27.230 -11.792 2.679 1.00 20.00 C ATOM 474 O GLU A 23 -27.149 -12.981 2.377 1.00 20.00 O ATOM 475 CB GLU A 23 -29.343 -10.474 2.467 1.00 20.00 C ATOM 476 CG GLU A 23 -30.672 -10.083 3.086 1.00 20.00 C ATOM 477 CD GLU A 23 -31.540 -11.286 3.387 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.238 -12.026 4.345 1.00 20.00 O ATOM 479 OE2 GLU A 23 -32.526 -11.505 2.656 1.00 20.00 O ATOM 0 H GLU A 23 -28.130 -9.417 4.358 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.006 -12.104 3.816 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.821 -9.573 2.144 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.527 -11.073 1.575 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.492 -9.528 4.007 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -31.203 -9.414 2.409 1.00 20.00 H new ATOM 486 N TRP A 24 -26.278 -10.913 2.404 1.00 20.00 N ATOM 487 CA TRP A 24 -25.052 -11.319 1.742 1.00 20.00 C ATOM 488 C TRP A 24 -24.223 -12.183 2.685 1.00 20.00 C ATOM 489 O TRP A 24 -23.402 -12.991 2.253 1.00 20.00 O ATOM 490 CB TRP A 24 -24.247 -10.104 1.272 1.00 20.00 C ATOM 491 CG TRP A 24 -23.099 -10.482 0.389 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.776 -10.482 0.718 1.00 20.00 C ATOM 493 CD2 TRP A 24 -23.178 -10.938 -0.966 1.00 20.00 C ATOM 494 NE1 TRP A 24 -21.026 -10.905 -0.350 1.00 20.00 N ATOM 495 CE2 TRP A 24 -21.862 -11.189 -1.396 1.00 20.00 C ATOM 496 CE3 TRP A 24 -24.232 -11.152 -1.857 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -21.574 -11.651 -2.678 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -23.945 -11.610 -3.129 1.00 20.00 C ATOM 499 CH2 TRP A 24 -22.626 -11.854 -3.529 1.00 20.00 C ATOM 0 H TRP A 24 -26.332 -9.919 2.628 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.311 -11.902 0.858 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.906 -9.422 0.734 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.870 -9.564 2.141 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.377 -10.192 1.679 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -20.010 -10.994 -0.363 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -25.252 -10.963 -1.558 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -20.558 -11.842 -2.989 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -24.752 -11.782 -3.826 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.435 -12.210 -4.531 1.00 20.00 H new ATOM 510 N LEU A 25 -24.464 -12.020 3.979 1.00 20.00 N ATOM 511 CA LEU A 25 -23.834 -12.859 4.982 1.00 20.00 C ATOM 512 C LEU A 25 -24.322 -14.297 4.822 1.00 20.00 C ATOM 513 O LEU A 25 -23.553 -15.248 4.953 1.00 20.00 O ATOM 514 CB LEU A 25 -24.149 -12.331 6.386 1.00 20.00 C ATOM 515 CG LEU A 25 -23.438 -13.042 7.538 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.926 -12.937 7.388 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.880 -12.456 8.870 1.00 20.00 C ATOM 0 H LEU A 25 -25.093 -11.312 4.357 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.753 -12.837 4.846 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.891 -11.273 6.422 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.225 -12.403 6.548 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.710 -14.097 7.511 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.441 -13.450 8.219 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.621 -13.398 6.449 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.632 -11.887 7.389 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.367 -12.971 9.682 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.634 -11.395 8.900 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.957 -12.582 8.984 1.00 20.00 H new ATOM 529 N ARG A 26 -25.605 -14.443 4.500 1.00 20.00 N ATOM 530 CA ARG A 26 -26.182 -15.755 4.236 1.00 20.00 C ATOM 531 C ARG A 26 -25.718 -16.268 2.878 1.00 20.00 C ATOM 532 O ARG A 26 -25.555 -17.473 2.678 1.00 20.00 O ATOM 533 CB ARG A 26 -27.713 -15.703 4.273 1.00 20.00 C ATOM 534 CG ARG A 26 -28.292 -15.291 5.617 1.00 20.00 C ATOM 535 CD ARG A 26 -29.802 -15.487 5.660 1.00 20.00 C ATOM 536 NE ARG A 26 -30.503 -14.701 4.643 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.203 -15.232 3.640 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.233 -16.548 3.460 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.869 -14.440 2.808 1.00 20.00 N ATOM 0 H ARG A 26 -26.263 -13.668 4.416 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.842 -16.435 5.017 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.060 -15.004 3.512 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.105 -16.685 4.007 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.826 -15.876 6.410 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.054 -14.245 5.811 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.031 -16.543 5.519 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.172 -15.210 6.647 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.453 -13.684 4.706 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.718 -17.161 4.092 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -31.771 -16.945 2.690 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.844 -13.429 2.937 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.405 -14.843 2.040 1.00 20.00 H new ATOM 553 N ALA A 27 -25.507 -15.342 1.950 1.00 20.00 N ATOM 554 CA ALA A 27 -24.984 -15.674 0.633 1.00 20.00 C ATOM 555 C ALA A 27 -23.580 -16.242 0.750 1.00 20.00 C ATOM 556 O ALA A 27 -23.195 -17.146 0.010 1.00 20.00 O ATOM 557 CB ALA A 27 -24.982 -14.446 -0.262 1.00 20.00 C ATOM 0 H ALA A 27 -25.692 -14.349 2.088 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.630 -16.429 0.185 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.588 -14.711 -1.243 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.000 -14.072 -0.369 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.356 -13.672 0.183 1.00 20.00 H new ATOM 563 N LYS A 28 -22.824 -15.698 1.689 1.00 20.00 N ATOM 564 CA LYS A 28 -21.490 -16.188 1.988 1.00 20.00 C ATOM 565 C LYS A 28 -21.570 -17.604 2.551 1.00 20.00 C ATOM 566 O LYS A 28 -20.767 -18.472 2.199 1.00 20.00 O ATOM 567 CB LYS A 28 -20.800 -15.251 2.987 1.00 20.00 C ATOM 568 CG LYS A 28 -19.426 -15.719 3.432 1.00 20.00 C ATOM 569 CD LYS A 28 -18.823 -14.764 4.449 1.00 20.00 C ATOM 570 CE LYS A 28 -17.475 -15.257 4.958 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.482 -15.395 3.861 1.00 20.00 N ATOM 0 H LYS A 28 -23.117 -14.907 2.263 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.903 -16.211 1.070 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.707 -14.263 2.536 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.436 -15.142 3.865 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.501 -16.716 3.866 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.767 -15.797 2.567 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.703 -13.780 3.997 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.508 -14.647 5.289 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.094 -14.562 5.706 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.604 -16.219 5.453 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.539 -15.567 4.266 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.748 -16.194 3.251 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -16.463 -14.521 3.298 1.00 20.00 H new ATOM 585 N VAL A 29 -22.556 -17.828 3.414 1.00 20.00 N ATOM 586 CA VAL A 29 -22.774 -19.133 4.024 1.00 20.00 C ATOM 587 C VAL A 29 -23.201 -20.167 2.983 1.00 20.00 C ATOM 588 O VAL A 29 -22.578 -21.222 2.849 1.00 20.00 O ATOM 589 CB VAL A 29 -23.844 -19.062 5.139 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.184 -20.452 5.657 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.368 -18.174 6.277 1.00 20.00 C ATOM 0 H VAL A 29 -23.222 -17.114 3.708 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.824 -19.439 4.462 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.748 -18.628 4.713 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.938 -20.374 6.440 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.571 -21.060 4.840 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -23.287 -20.919 6.063 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.133 -18.135 7.053 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.447 -18.581 6.695 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.182 -17.168 5.900 1.00 20.00 H new ATOM 601 N ALA A 30 -24.256 -19.855 2.246 1.00 20.00 N ATOM 602 CA ALA A 30 -24.794 -20.780 1.266 1.00 20.00 C ATOM 603 C ALA A 30 -24.856 -20.140 -0.117 1.00 20.00 C ATOM 604 O ALA A 30 -23.884 -20.193 -0.872 1.00 20.00 O ATOM 605 CB ALA A 30 -26.165 -21.273 1.703 1.00 20.00 C ATOM 0 H ALA A 30 -24.755 -18.968 2.309 1.00 20.00 H new ATOM 0 HA ALA A 30 -24.125 -21.638 1.201 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -26.557 -21.966 0.959 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -26.080 -21.782 2.663 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -26.842 -20.425 1.801 1.00 20.00 H new ATOM 611 N THR A 31 -25.985 -19.524 -0.443 1.00 20.00 N ATOM 612 CA THR A 31 -26.159 -18.896 -1.744 1.00 20.00 C ATOM 613 C THR A 31 -27.038 -17.657 -1.647 1.00 20.00 C ATOM 614 O THR A 31 -26.599 -16.554 -1.976 1.00 20.00 O ATOM 615 CB THR A 31 -26.774 -19.873 -2.768 1.00 20.00 C ATOM 616 OG1 THR A 31 -27.808 -20.643 -2.141 1.00 20.00 O ATOM 617 CG2 THR A 31 -25.724 -20.805 -3.354 1.00 20.00 C ATOM 0 H THR A 31 -26.792 -19.446 0.175 1.00 20.00 H new ATOM 0 HA THR A 31 -25.166 -18.605 -2.085 1.00 20.00 H new ATOM 0 HB THR A 31 -27.193 -19.284 -3.584 1.00 20.00 H new ATOM 0 HG1 THR A 31 -28.197 -21.261 -2.794 1.00 20.00 H new ATOM 0 HG21 THR A 31 -26.194 -21.478 -4.071 1.00 20.00 H new ATOM 0 HG22 THR A 31 -24.956 -20.217 -3.858 1.00 20.00 H new ATOM 0 HG23 THR A 31 -25.268 -21.388 -2.554 1.00 20.00 H new ATOM 625 N SER A 32 -28.278 -17.859 -1.186 1.00 20.00 N ATOM 626 CA SER A 32 -29.274 -16.792 -1.041 1.00 20.00 C ATOM 627 C SER A 32 -29.719 -16.241 -2.397 1.00 20.00 C ATOM 628 O SER A 32 -30.894 -16.338 -2.757 1.00 20.00 O ATOM 629 CB SER A 32 -28.742 -15.668 -0.147 1.00 20.00 C ATOM 630 OG SER A 32 -28.405 -16.166 1.136 1.00 20.00 O ATOM 0 H SER A 32 -28.621 -18.776 -0.901 1.00 20.00 H new ATOM 0 HA SER A 32 -30.151 -17.229 -0.563 1.00 20.00 H new ATOM 0 HB2 SER A 32 -27.865 -15.214 -0.608 1.00 20.00 H new ATOM 0 HB3 SER A 32 -29.494 -14.885 -0.053 1.00 20.00 H new ATOM 0 HG SER A 32 -29.127 -15.961 1.766 1.00 20.00 H new ATOM 636 N LEU A 33 -28.777 -15.686 -3.147 1.00 20.00 N ATOM 637 CA LEU A 33 -29.059 -15.113 -4.452 1.00 20.00 C ATOM 638 C LEU A 33 -29.393 -16.232 -5.437 1.00 20.00 C ATOM 639 O LEU A 33 -28.503 -16.902 -5.965 1.00 20.00 O ATOM 640 CB LEU A 33 -27.846 -14.304 -4.937 1.00 20.00 C ATOM 641 CG LEU A 33 -28.133 -13.188 -5.956 1.00 20.00 C ATOM 642 CD1 LEU A 33 -26.891 -12.336 -6.174 1.00 20.00 C ATOM 643 CD2 LEU A 33 -28.608 -13.756 -7.284 1.00 20.00 C ATOM 0 H LEU A 33 -27.798 -15.621 -2.867 1.00 20.00 H new ATOM 0 HA LEU A 33 -29.915 -14.441 -4.382 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -27.363 -13.857 -4.068 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -27.129 -14.995 -5.380 1.00 20.00 H new ATOM 0 HG LEU A 33 -28.929 -12.566 -5.547 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -27.111 -11.551 -6.898 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -26.589 -11.884 -5.229 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -26.082 -12.962 -6.552 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -28.801 -12.940 -7.980 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -27.839 -14.410 -7.696 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -29.524 -14.326 -7.129 1.00 20.00 H new ATOM 655 N ALA A 34 -30.679 -16.439 -5.664 1.00 20.00 N ATOM 656 CA ALA A 34 -31.144 -17.473 -6.572 1.00 20.00 C ATOM 657 C ALA A 34 -32.117 -16.884 -7.583 1.00 20.00 C ATOM 658 O ALA A 34 -33.031 -17.560 -8.061 1.00 20.00 O ATOM 659 CB ALA A 34 -31.798 -18.607 -5.791 1.00 20.00 C ATOM 0 H ALA A 34 -31.426 -15.899 -5.227 1.00 20.00 H new ATOM 0 HA ALA A 34 -30.289 -17.879 -7.113 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -32.142 -19.375 -6.484 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -31.073 -19.039 -5.101 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -32.647 -18.219 -5.229 1.00 20.00 H new ATOM 665 N ASP A 35 -31.917 -15.611 -7.891 1.00 20.00 N ATOM 666 CA ASP A 35 -32.750 -14.911 -8.859 1.00 20.00 C ATOM 667 C ASP A 35 -32.564 -15.502 -10.249 1.00 20.00 C ATOM 668 O ASP A 35 -31.435 -15.702 -10.699 1.00 20.00 O ATOM 669 CB ASP A 35 -32.404 -13.420 -8.891 1.00 20.00 C ATOM 670 CG ASP A 35 -32.703 -12.711 -7.587 1.00 20.00 C ATOM 671 OD1 ASP A 35 -31.839 -12.726 -6.686 1.00 20.00 O ATOM 672 OD2 ASP A 35 -33.795 -12.115 -7.461 1.00 20.00 O ATOM 0 H ASP A 35 -31.179 -15.038 -7.481 1.00 20.00 H new ATOM 0 HA ASP A 35 -33.790 -15.030 -8.554 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -31.346 -13.304 -9.126 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -32.963 -12.941 -9.694 1.00 20.00 H new ATOM 677 N PRO A 36 -33.673 -15.795 -10.945 1.00 20.00 N ATOM 678 CA PRO A 36 -33.630 -16.314 -12.316 1.00 20.00 C ATOM 679 C PRO A 36 -33.261 -15.227 -13.323 1.00 20.00 C ATOM 680 O PRO A 36 -33.069 -15.496 -14.508 1.00 20.00 O ATOM 681 CB PRO A 36 -35.060 -16.801 -12.551 1.00 20.00 C ATOM 682 CG PRO A 36 -35.900 -15.957 -11.657 1.00 20.00 C ATOM 683 CD PRO A 36 -35.055 -15.665 -10.444 1.00 20.00 C ATOM 0 HA PRO A 36 -32.877 -17.092 -12.443 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -35.351 -16.684 -13.595 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -35.163 -17.859 -12.308 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -36.196 -15.035 -12.157 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -36.816 -16.477 -11.378 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -35.247 -14.666 -10.052 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -35.257 -16.368 -9.636 1.00 20.00 H new ATOM 691 N ARG A 37 -33.172 -13.999 -12.836 1.00 20.00 N ATOM 692 CA ARG A 37 -32.780 -12.868 -13.658 1.00 20.00 C ATOM 693 C ARG A 37 -31.313 -12.546 -13.403 1.00 20.00 C ATOM 694 O ARG A 37 -30.829 -12.729 -12.286 1.00 20.00 O ATOM 695 CB ARG A 37 -33.662 -11.657 -13.334 1.00 20.00 C ATOM 696 CG ARG A 37 -35.132 -11.888 -13.645 1.00 20.00 C ATOM 697 CD ARG A 37 -35.994 -10.704 -13.240 1.00 20.00 C ATOM 698 NE ARG A 37 -37.402 -10.928 -13.569 1.00 20.00 N ATOM 699 CZ ARG A 37 -38.418 -10.235 -13.057 1.00 20.00 C ATOM 700 NH1 ARG A 37 -38.196 -9.262 -12.181 1.00 20.00 N ATOM 701 NH2 ARG A 37 -39.662 -10.517 -13.424 1.00 20.00 N ATOM 0 H ARG A 37 -33.369 -13.760 -11.864 1.00 20.00 H new ATOM 0 HA ARG A 37 -32.911 -13.116 -14.711 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -33.555 -11.410 -12.278 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -33.308 -10.796 -13.901 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -35.251 -12.075 -14.712 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -35.476 -12.782 -13.124 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -35.893 -10.529 -12.169 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -35.640 -9.805 -13.745 1.00 20.00 H new ATOM 0 HE ARG A 37 -37.621 -11.667 -14.237 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -37.242 -9.041 -11.896 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -38.979 -8.736 -11.794 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -39.839 -11.263 -14.097 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -40.441 -9.988 -13.033 1.00 20.00 H new ATOM 715 N PRO A 38 -30.581 -12.103 -14.442 1.00 20.00 N ATOM 716 CA PRO A 38 -29.160 -11.754 -14.322 1.00 20.00 C ATOM 717 C PRO A 38 -28.918 -10.715 -13.238 1.00 20.00 C ATOM 718 O PRO A 38 -29.336 -9.561 -13.364 1.00 20.00 O ATOM 719 CB PRO A 38 -28.808 -11.178 -15.696 1.00 20.00 C ATOM 720 CG PRO A 38 -29.818 -11.756 -16.623 1.00 20.00 C ATOM 721 CD PRO A 38 -31.078 -11.911 -15.816 1.00 20.00 C ATOM 0 HA PRO A 38 -28.553 -12.615 -14.043 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -28.853 -10.089 -15.691 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -27.796 -11.454 -15.993 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -29.981 -11.102 -17.480 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -29.484 -12.717 -17.014 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -31.716 -11.030 -15.893 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -31.669 -12.763 -16.153 1.00 20.00 H new ATOM 729 N ALA A 39 -28.250 -11.129 -12.175 1.00 20.00 N ATOM 730 CA ALA A 39 -28.024 -10.266 -11.032 1.00 20.00 C ATOM 731 C ALA A 39 -26.555 -10.264 -10.626 1.00 20.00 C ATOM 732 O ALA A 39 -25.947 -11.323 -10.460 1.00 20.00 O ATOM 733 CB ALA A 39 -28.896 -10.710 -9.869 1.00 20.00 C ATOM 0 H ALA A 39 -27.853 -12.064 -12.081 1.00 20.00 H new ATOM 0 HA ALA A 39 -28.293 -9.247 -11.312 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -28.721 -10.058 -9.013 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -29.945 -10.655 -10.159 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -28.648 -11.736 -9.599 1.00 20.00 H new ATOM 739 N ILE A 40 -25.995 -9.075 -10.467 1.00 20.00 N ATOM 740 CA ILE A 40 -24.606 -8.935 -10.045 1.00 20.00 C ATOM 741 C ILE A 40 -24.523 -8.706 -8.542 1.00 20.00 C ATOM 742 O ILE A 40 -25.418 -8.099 -7.948 1.00 20.00 O ATOM 743 CB ILE A 40 -23.882 -7.777 -10.770 1.00 20.00 C ATOM 744 CG1 ILE A 40 -24.644 -6.459 -10.604 1.00 20.00 C ATOM 745 CG2 ILE A 40 -23.693 -8.115 -12.238 1.00 20.00 C ATOM 746 CD1 ILE A 40 -23.864 -5.250 -11.063 1.00 20.00 C ATOM 0 H ILE A 40 -26.480 -8.191 -10.623 1.00 20.00 H new ATOM 0 HA ILE A 40 -24.107 -9.867 -10.311 1.00 20.00 H new ATOM 0 HB ILE A 40 -22.900 -7.648 -10.315 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -25.577 -6.514 -11.166 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -24.911 -6.332 -9.555 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -23.182 -7.292 -12.738 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -23.095 -9.022 -12.329 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -24.666 -8.274 -12.703 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -24.465 -4.352 -10.916 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -22.944 -5.170 -10.484 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -23.620 -5.354 -12.120 1.00 20.00 H new ATOM 758 N PRO A 41 -23.460 -9.212 -7.903 1.00 20.00 N ATOM 759 CA PRO A 41 -23.227 -9.001 -6.474 1.00 20.00 C ATOM 760 C PRO A 41 -23.086 -7.518 -6.142 1.00 20.00 C ATOM 761 O PRO A 41 -22.167 -6.850 -6.618 1.00 20.00 O ATOM 762 CB PRO A 41 -21.898 -9.723 -6.208 1.00 20.00 C ATOM 763 CG PRO A 41 -21.738 -10.677 -7.339 1.00 20.00 C ATOM 764 CD PRO A 41 -22.407 -10.036 -8.519 1.00 20.00 C ATOM 0 HA PRO A 41 -24.054 -9.371 -5.867 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -21.068 -9.018 -6.168 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -21.919 -10.246 -5.252 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -20.684 -10.866 -7.543 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -22.195 -11.639 -7.106 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -21.709 -9.431 -9.098 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -22.824 -10.780 -9.199 1.00 20.00 H new ATOM 772 N HIS A 42 -23.983 -7.005 -5.309 1.00 20.00 N ATOM 773 CA HIS A 42 -23.948 -5.598 -4.936 1.00 20.00 C ATOM 774 C HIS A 42 -22.899 -5.358 -3.859 1.00 20.00 C ATOM 775 O HIS A 42 -22.638 -4.220 -3.472 1.00 20.00 O ATOM 776 CB HIS A 42 -25.322 -5.115 -4.467 1.00 20.00 C ATOM 777 CG HIS A 42 -26.329 -4.988 -5.573 1.00 20.00 C ATOM 778 ND1 HIS A 42 -26.538 -3.817 -6.268 1.00 20.00 N ATOM 779 CD2 HIS A 42 -27.182 -5.893 -6.106 1.00 20.00 C ATOM 780 CE1 HIS A 42 -27.472 -4.006 -7.179 1.00 20.00 C ATOM 781 NE2 HIS A 42 -27.879 -5.257 -7.104 1.00 20.00 N ATOM 0 H HIS A 42 -24.739 -7.539 -4.881 1.00 20.00 H new ATOM 0 HA HIS A 42 -23.676 -5.022 -5.821 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -25.704 -5.808 -3.718 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -25.209 -4.147 -3.978 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -27.294 -6.924 -5.803 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -27.841 -3.262 -7.869 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -28.595 -5.684 -7.692 1.00 20.00 H new ATOM 790 N ASP A 43 -22.294 -6.447 -3.392 1.00 20.00 N ATOM 791 CA ASP A 43 -21.168 -6.373 -2.462 1.00 20.00 C ATOM 792 C ASP A 43 -20.031 -5.557 -3.070 1.00 20.00 C ATOM 793 O ASP A 43 -19.345 -4.809 -2.379 1.00 20.00 O ATOM 794 CB ASP A 43 -20.680 -7.783 -2.109 1.00 20.00 C ATOM 795 CG ASP A 43 -19.343 -7.790 -1.392 1.00 20.00 C ATOM 796 OD1 ASP A 43 -19.314 -7.609 -0.157 1.00 20.00 O ATOM 797 OD2 ASP A 43 -18.309 -8.007 -2.060 1.00 20.00 O ATOM 0 H ASP A 43 -22.566 -7.397 -3.644 1.00 20.00 H new ATOM 0 HA ASP A 43 -21.501 -5.879 -1.549 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -21.425 -8.272 -1.481 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -20.598 -8.372 -3.023 1.00 20.00 H new ATOM 802 N GLU A 44 -19.867 -5.692 -4.380 1.00 20.00 N ATOM 803 CA GLU A 44 -18.847 -4.956 -5.110 1.00 20.00 C ATOM 804 C GLU A 44 -19.150 -3.462 -5.085 1.00 20.00 C ATOM 805 O GLU A 44 -18.255 -2.634 -4.917 1.00 20.00 O ATOM 806 CB GLU A 44 -18.781 -5.457 -6.552 1.00 20.00 C ATOM 807 CG GLU A 44 -17.749 -4.744 -7.399 1.00 20.00 C ATOM 808 CD GLU A 44 -17.770 -5.210 -8.834 1.00 20.00 C ATOM 809 OE1 GLU A 44 -17.145 -6.248 -9.140 1.00 20.00 O ATOM 810 OE2 GLU A 44 -18.410 -4.542 -9.670 1.00 20.00 O ATOM 0 H GLU A 44 -20.433 -6.310 -4.961 1.00 20.00 H new ATOM 0 HA GLU A 44 -17.882 -5.120 -4.631 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -18.559 -6.524 -6.546 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -19.761 -5.338 -7.013 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -17.932 -3.670 -7.365 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -16.757 -4.912 -6.979 1.00 20.00 H new ATOM 817 N VAL A 45 -20.423 -3.131 -5.238 1.00 20.00 N ATOM 818 CA VAL A 45 -20.867 -1.746 -5.210 1.00 20.00 C ATOM 819 C VAL A 45 -20.607 -1.138 -3.837 1.00 20.00 C ATOM 820 O VAL A 45 -20.127 -0.008 -3.726 1.00 20.00 O ATOM 821 CB VAL A 45 -22.366 -1.634 -5.559 1.00 20.00 C ATOM 822 CG1 VAL A 45 -22.841 -0.192 -5.480 1.00 20.00 C ATOM 823 CG2 VAL A 45 -22.630 -2.208 -6.942 1.00 20.00 C ATOM 0 H VAL A 45 -21.172 -3.808 -5.384 1.00 20.00 H new ATOM 0 HA VAL A 45 -20.300 -1.196 -5.961 1.00 20.00 H new ATOM 0 HB VAL A 45 -22.929 -2.212 -4.826 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -23.901 -0.144 -5.731 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -22.690 0.186 -4.469 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -22.273 0.417 -6.184 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -23.691 -2.122 -7.175 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -22.050 -1.656 -7.682 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -22.338 -3.258 -6.962 1.00 20.00 H new ATOM 833 N GLU A 46 -20.904 -1.908 -2.798 1.00 20.00 N ATOM 834 CA GLU A 46 -20.645 -1.486 -1.425 1.00 20.00 C ATOM 835 C GLU A 46 -19.146 -1.281 -1.234 1.00 20.00 C ATOM 836 O GLU A 46 -18.720 -0.346 -0.572 1.00 20.00 O ATOM 837 CB GLU A 46 -21.179 -2.533 -0.434 1.00 20.00 C ATOM 838 CG GLU A 46 -21.484 -2.003 0.968 1.00 20.00 C ATOM 839 CD GLU A 46 -20.250 -1.700 1.796 1.00 20.00 C ATOM 840 OE1 GLU A 46 -19.519 -2.648 2.152 1.00 20.00 O ATOM 841 OE2 GLU A 46 -20.012 -0.515 2.114 1.00 20.00 O ATOM 0 H GLU A 46 -21.327 -2.833 -2.880 1.00 20.00 H new ATOM 0 HA GLU A 46 -21.161 -0.545 -1.233 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -22.089 -2.970 -0.846 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -20.448 -3.337 -0.350 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -22.081 -1.096 0.880 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -22.093 -2.736 1.497 1.00 20.00 H new ATOM 848 N ARG A 47 -18.353 -2.146 -1.856 1.00 20.00 N ATOM 849 CA ARG A 47 -16.900 -2.073 -1.744 1.00 20.00 C ATOM 850 C ARG A 47 -16.366 -0.804 -2.404 1.00 20.00 C ATOM 851 O ARG A 47 -15.363 -0.237 -1.965 1.00 20.00 O ATOM 852 CB ARG A 47 -16.252 -3.310 -2.377 1.00 20.00 C ATOM 853 CG ARG A 47 -14.847 -3.599 -1.864 1.00 20.00 C ATOM 854 CD ARG A 47 -14.838 -3.799 -0.353 1.00 20.00 C ATOM 855 NE ARG A 47 -15.863 -4.753 0.070 1.00 20.00 N ATOM 856 CZ ARG A 47 -16.941 -4.429 0.785 1.00 20.00 C ATOM 857 NH1 ARG A 47 -17.096 -3.192 1.245 1.00 20.00 N ATOM 858 NH2 ARG A 47 -17.855 -5.348 1.056 1.00 20.00 N ATOM 0 H ARG A 47 -18.692 -2.907 -2.444 1.00 20.00 H new ATOM 0 HA ARG A 47 -16.643 -2.044 -0.685 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -16.884 -4.177 -2.186 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -16.213 -3.175 -3.458 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -14.456 -4.491 -2.353 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -14.185 -2.774 -2.128 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -13.857 -4.155 -0.038 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -15.004 -2.842 0.142 1.00 20.00 H new ATOM 0 HE ARG A 47 -15.746 -5.730 -0.199 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -16.388 -2.484 1.052 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -17.923 -2.951 1.791 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -17.734 -6.303 0.718 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -18.680 -5.101 1.603 1.00 20.00 H new ATOM 872 N ARG A 48 -17.039 -0.358 -3.456 1.00 20.00 N ATOM 873 CA ARG A 48 -16.646 0.865 -4.145 1.00 20.00 C ATOM 874 C ARG A 48 -17.109 2.082 -3.353 1.00 20.00 C ATOM 875 O ARG A 48 -16.375 3.059 -3.199 1.00 20.00 O ATOM 876 CB ARG A 48 -17.230 0.915 -5.561 1.00 20.00 C ATOM 877 CG ARG A 48 -16.808 -0.244 -6.458 1.00 20.00 C ATOM 878 CD ARG A 48 -15.297 -0.363 -6.566 1.00 20.00 C ATOM 879 NE ARG A 48 -14.681 0.830 -7.144 1.00 20.00 N ATOM 880 CZ ARG A 48 -13.364 1.032 -7.197 1.00 20.00 C ATOM 881 NH1 ARG A 48 -12.532 0.125 -6.704 1.00 20.00 N ATOM 882 NH2 ARG A 48 -12.885 2.140 -7.748 1.00 20.00 N ATOM 0 H ARG A 48 -17.857 -0.822 -3.850 1.00 20.00 H new ATOM 0 HA ARG A 48 -15.559 0.874 -4.223 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -18.318 0.928 -5.492 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -16.930 1.851 -6.032 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -17.217 -1.174 -6.064 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -17.232 -0.105 -7.452 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -14.878 -0.541 -5.575 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -15.047 -1.230 -7.178 1.00 20.00 H new ATOM 0 HE ARG A 48 -15.294 1.549 -7.529 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -12.899 -0.729 -6.283 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -11.525 0.281 -6.745 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -13.524 2.837 -8.131 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -11.878 2.295 -7.789 1.00 20.00 H new ATOM 896 N MET A 49 -18.327 2.003 -2.836 1.00 20.00 N ATOM 897 CA MET A 49 -18.920 3.102 -2.086 1.00 20.00 C ATOM 898 C MET A 49 -18.338 3.200 -0.681 1.00 20.00 C ATOM 899 O MET A 49 -18.442 4.242 -0.036 1.00 20.00 O ATOM 900 CB MET A 49 -20.436 2.937 -2.011 1.00 20.00 C ATOM 901 CG MET A 49 -21.130 3.095 -3.350 1.00 20.00 C ATOM 902 SD MET A 49 -20.861 4.719 -4.085 1.00 20.00 S ATOM 903 CE MET A 49 -21.822 4.568 -5.590 1.00 20.00 C ATOM 0 H MET A 49 -18.928 1.183 -2.923 1.00 20.00 H new ATOM 0 HA MET A 49 -18.684 4.026 -2.614 1.00 20.00 H new ATOM 0 HB2 MET A 49 -20.666 1.952 -1.606 1.00 20.00 H new ATOM 0 HB3 MET A 49 -20.839 3.671 -1.313 1.00 20.00 H new ATOM 0 HG2 MET A 49 -20.770 2.327 -4.034 1.00 20.00 H new ATOM 0 HG3 MET A 49 -22.200 2.931 -3.222 1.00 20.00 H new ATOM 0 HE1 MET A 49 -21.671 5.453 -6.208 1.00 20.00 H new ATOM 0 HE2 MET A 49 -21.501 3.683 -6.139 1.00 20.00 H new ATOM 0 HE3 MET A 49 -22.879 4.476 -5.339 1.00 20.00 H new ATOM 913 N ALA A 50 -17.733 2.114 -0.210 1.00 20.00 N ATOM 914 CA ALA A 50 -17.109 2.080 1.110 1.00 20.00 C ATOM 915 C ALA A 50 -16.063 3.174 1.250 1.00 20.00 C ATOM 916 O ALA A 50 -15.940 3.808 2.300 1.00 20.00 O ATOM 917 CB ALA A 50 -16.478 0.721 1.362 1.00 20.00 C ATOM 0 H ALA A 50 -17.661 1.238 -0.728 1.00 20.00 H new ATOM 0 HA ALA A 50 -17.887 2.254 1.853 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -16.017 0.711 2.350 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -17.245 -0.051 1.312 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -15.718 0.527 0.605 1.00 20.00 H new ATOM 923 N GLU A 51 -15.324 3.405 0.175 1.00 20.00 N ATOM 924 CA GLU A 51 -14.275 4.412 0.170 1.00 20.00 C ATOM 925 C GLU A 51 -14.883 5.812 0.212 1.00 20.00 C ATOM 926 O GLU A 51 -14.290 6.744 0.751 1.00 20.00 O ATOM 927 CB GLU A 51 -13.388 4.244 -1.065 1.00 20.00 C ATOM 928 CG GLU A 51 -12.736 2.871 -1.163 1.00 20.00 C ATOM 929 CD GLU A 51 -11.855 2.725 -2.385 1.00 20.00 C ATOM 930 OE1 GLU A 51 -12.396 2.639 -3.507 1.00 20.00 O ATOM 931 OE2 GLU A 51 -10.617 2.676 -2.229 1.00 20.00 O ATOM 0 H GLU A 51 -15.433 2.906 -0.708 1.00 20.00 H new ATOM 0 HA GLU A 51 -13.657 4.281 1.058 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -13.987 4.418 -1.959 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -12.610 5.007 -1.050 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -12.140 2.692 -0.268 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -13.512 2.106 -1.187 1.00 20.00 H new ATOM 938 N ARG A 52 -16.085 5.940 -0.339 1.00 20.00 N ATOM 939 CA ARG A 52 -16.812 7.203 -0.326 1.00 20.00 C ATOM 940 C ARG A 52 -17.474 7.420 1.032 1.00 20.00 C ATOM 941 O ARG A 52 -17.655 8.553 1.474 1.00 20.00 O ATOM 942 CB ARG A 52 -17.882 7.213 -1.423 1.00 20.00 C ATOM 943 CG ARG A 52 -18.699 8.499 -1.470 1.00 20.00 C ATOM 944 CD ARG A 52 -19.935 8.355 -2.346 1.00 20.00 C ATOM 945 NE ARG A 52 -20.862 7.345 -1.830 1.00 20.00 N ATOM 946 CZ ARG A 52 -22.162 7.296 -2.127 1.00 20.00 C ATOM 947 NH1 ARG A 52 -22.722 8.242 -2.872 1.00 20.00 N ATOM 948 NH2 ARG A 52 -22.907 6.311 -1.648 1.00 20.00 N ATOM 0 H ARG A 52 -16.579 5.178 -0.803 1.00 20.00 H new ATOM 0 HA ARG A 52 -16.102 8.009 -0.511 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -17.400 7.063 -2.389 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -18.556 6.370 -1.269 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -19.001 8.775 -0.459 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -18.078 9.310 -1.850 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -20.446 9.316 -2.412 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -19.632 8.085 -3.358 1.00 20.00 H new ATOM 0 HE ARG A 52 -20.489 6.632 -1.203 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -22.157 9.016 -3.223 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -23.717 8.195 -3.093 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -22.486 5.595 -1.055 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -23.901 6.268 -1.872 1.00 20.00 H new ATOM 962 N PHE A 53 -17.823 6.317 1.685 1.00 20.00 N ATOM 963 CA PHE A 53 -18.527 6.349 2.964 1.00 20.00 C ATOM 964 C PHE A 53 -17.732 7.125 4.012 1.00 20.00 C ATOM 965 O PHE A 53 -18.305 7.765 4.894 1.00 20.00 O ATOM 966 CB PHE A 53 -18.800 4.923 3.447 1.00 20.00 C ATOM 967 CG PHE A 53 -19.626 4.848 4.702 1.00 20.00 C ATOM 968 CD1 PHE A 53 -20.992 5.087 4.666 1.00 20.00 C ATOM 969 CD2 PHE A 53 -19.036 4.535 5.916 1.00 20.00 C ATOM 970 CE1 PHE A 53 -21.751 5.015 5.818 1.00 20.00 C ATOM 971 CE2 PHE A 53 -19.792 4.461 7.070 1.00 20.00 C ATOM 972 CZ PHE A 53 -21.151 4.701 7.020 1.00 20.00 C ATOM 0 H PHE A 53 -17.627 5.376 1.344 1.00 20.00 H new ATOM 0 HA PHE A 53 -19.477 6.863 2.819 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -19.310 4.374 2.656 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -17.848 4.421 3.621 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -21.467 5.332 3.728 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -17.973 4.347 5.961 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -22.813 5.204 5.778 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -19.321 4.216 8.010 1.00 20.00 H new ATOM 0 HZ PHE A 53 -21.744 4.643 7.921 1.00 20.00 H new ATOM 982 N ALA A 54 -16.411 7.077 3.894 1.00 20.00 N ATOM 983 CA ALA A 54 -15.530 7.799 4.800 1.00 20.00 C ATOM 984 C ALA A 54 -15.801 9.302 4.745 1.00 20.00 C ATOM 985 O ALA A 54 -15.802 9.980 5.770 1.00 20.00 O ATOM 986 CB ALA A 54 -14.079 7.507 4.460 1.00 20.00 C ATOM 0 H ALA A 54 -15.925 6.542 3.175 1.00 20.00 H new ATOM 0 HA ALA A 54 -15.729 7.459 5.816 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -13.428 8.052 5.144 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -13.891 6.438 4.555 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -13.875 7.821 3.437 1.00 20.00 H new ATOM 992 N LYS A 55 -16.042 9.815 3.546 1.00 20.00 N ATOM 993 CA LYS A 55 -16.337 11.231 3.371 1.00 20.00 C ATOM 994 C LYS A 55 -17.838 11.482 3.501 1.00 20.00 C ATOM 995 O LYS A 55 -18.271 12.581 3.843 1.00 20.00 O ATOM 996 CB LYS A 55 -15.831 11.716 2.011 1.00 20.00 C ATOM 997 CG LYS A 55 -16.005 13.213 1.788 1.00 20.00 C ATOM 998 CD LYS A 55 -15.451 13.646 0.445 1.00 20.00 C ATOM 999 CE LYS A 55 -15.567 15.149 0.249 1.00 20.00 C ATOM 1000 NZ LYS A 55 -14.745 15.907 1.229 1.00 20.00 N ATOM 0 H LYS A 55 -16.039 9.273 2.682 1.00 20.00 H new ATOM 0 HA LYS A 55 -15.823 11.791 4.152 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -14.775 11.464 1.916 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -16.359 11.177 1.224 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -17.063 13.469 1.845 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -15.501 13.761 2.584 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -14.405 13.348 0.369 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -15.987 13.132 -0.353 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -15.254 15.407 -0.763 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -16.611 15.447 0.345 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -14.676 16.900 0.929 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -15.191 15.859 2.167 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -13.792 15.493 1.277 1.00 20.00 H new ATOM 1014 N MET A 56 -18.626 10.448 3.233 1.00 20.00 N ATOM 1015 CA MET A 56 -20.081 10.532 3.334 1.00 20.00 C ATOM 1016 C MET A 56 -20.509 10.702 4.787 1.00 20.00 C ATOM 1017 O MET A 56 -21.584 11.232 5.070 1.00 20.00 O ATOM 1018 CB MET A 56 -20.731 9.280 2.738 1.00 20.00 C ATOM 1019 CG MET A 56 -22.253 9.316 2.742 1.00 20.00 C ATOM 1020 SD MET A 56 -22.928 10.681 1.772 1.00 20.00 S ATOM 1021 CE MET A 56 -22.364 10.252 0.129 1.00 20.00 C ATOM 0 H MET A 56 -18.280 9.534 2.942 1.00 20.00 H new ATOM 0 HA MET A 56 -20.413 11.403 2.769 1.00 20.00 H new ATOM 0 HB2 MET A 56 -20.383 9.154 1.713 1.00 20.00 H new ATOM 0 HB3 MET A 56 -20.396 8.407 3.298 1.00 20.00 H new ATOM 0 HG2 MET A 56 -22.634 8.374 2.348 1.00 20.00 H new ATOM 0 HG3 MET A 56 -22.606 9.398 3.770 1.00 20.00 H new ATOM 0 HE1 MET A 56 -23.056 10.655 -0.610 1.00 20.00 H new ATOM 0 HE2 MET A 56 -21.372 10.672 -0.036 1.00 20.00 H new ATOM 0 HE3 MET A 56 -22.320 9.167 0.031 1.00 20.00 H new ATOM 1031 N ARG A 57 -19.659 10.249 5.702 1.00 20.00 N ATOM 1032 CA ARG A 57 -19.917 10.398 7.127 1.00 20.00 C ATOM 1033 C ARG A 57 -20.061 11.874 7.494 1.00 20.00 C ATOM 1034 O ARG A 57 -20.856 12.230 8.367 1.00 20.00 O ATOM 1035 CB ARG A 57 -18.792 9.750 7.945 1.00 20.00 C ATOM 1036 CG ARG A 57 -18.994 9.854 9.449 1.00 20.00 C ATOM 1037 CD ARG A 57 -17.920 9.096 10.215 1.00 20.00 C ATOM 1038 NE ARG A 57 -16.573 9.571 9.901 1.00 20.00 N ATOM 1039 CZ ARG A 57 -15.456 8.938 10.260 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -15.523 7.820 10.975 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -14.273 9.427 9.903 1.00 20.00 N ATOM 0 H ARG A 57 -18.784 9.775 5.480 1.00 20.00 H new ATOM 0 HA ARG A 57 -20.853 9.892 7.363 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -18.713 8.698 7.669 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -17.845 10.220 7.681 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -18.981 10.903 9.746 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -19.976 9.460 9.712 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -18.099 9.200 11.285 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -17.992 8.034 9.981 1.00 20.00 H new ATOM 0 HE ARG A 57 -16.483 10.440 9.375 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -16.430 7.444 11.250 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -14.667 7.337 11.248 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -14.220 10.286 9.355 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -13.418 8.944 10.177 1.00 20.00 H new ATOM 1055 N LYS A 58 -19.305 12.728 6.809 1.00 20.00 N ATOM 1056 CA LYS A 58 -19.362 14.161 7.053 1.00 20.00 C ATOM 1057 C LYS A 58 -18.604 14.925 5.974 1.00 20.00 C ATOM 1058 O LYS A 58 -17.372 14.966 5.971 1.00 20.00 O ATOM 1059 CB LYS A 58 -18.782 14.493 8.429 1.00 20.00 C ATOM 1060 CG LYS A 58 -19.029 15.927 8.872 1.00 20.00 C ATOM 1061 CD LYS A 58 -20.515 16.258 8.920 1.00 20.00 C ATOM 1062 CE LYS A 58 -21.280 15.298 9.823 1.00 20.00 C ATOM 1063 NZ LYS A 58 -22.729 15.622 9.877 1.00 20.00 N ATOM 0 H LYS A 58 -18.647 12.450 6.081 1.00 20.00 H new ATOM 0 HA LYS A 58 -20.408 14.466 7.026 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -19.212 13.816 9.167 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -17.708 14.307 8.414 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -18.590 16.083 9.857 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -18.527 16.610 8.187 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -20.649 17.279 9.279 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -20.929 16.217 7.913 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -21.150 14.278 9.461 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -20.862 15.335 10.829 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -23.213 14.946 10.502 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -22.856 16.586 10.246 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -23.134 15.561 8.921 1.00 20.00 H new ATOM 1077 N GLU A 59 -19.345 15.521 5.056 1.00 20.00 N ATOM 1078 CA GLU A 59 -18.753 16.308 3.985 1.00 20.00 C ATOM 1079 C GLU A 59 -19.091 17.783 4.154 1.00 20.00 C ATOM 1080 O GLU A 59 -18.743 18.606 3.307 1.00 20.00 O ATOM 1081 CB GLU A 59 -19.242 15.821 2.614 1.00 20.00 C ATOM 1082 CG GLU A 59 -20.723 16.081 2.350 1.00 20.00 C ATOM 1083 CD GLU A 59 -21.644 15.181 3.151 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -21.902 15.479 4.339 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -22.123 14.175 2.590 1.00 20.00 O ATOM 0 H GLU A 59 -20.364 15.475 5.030 1.00 20.00 H new ATOM 0 HA GLU A 59 -17.672 16.182 4.038 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -18.655 16.309 1.837 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -19.052 14.751 2.532 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -20.949 17.121 2.584 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -20.925 15.942 1.288 1.00 20.00 H new ATOM 1092 N ARG A 60 -19.778 18.102 5.246 1.00 20.00 N ATOM 1093 CA ARG A 60 -20.211 19.471 5.523 1.00 20.00 C ATOM 1094 C ARG A 60 -19.021 20.427 5.551 1.00 20.00 C ATOM 1095 O ARG A 60 -18.811 21.206 4.622 1.00 20.00 O ATOM 1096 CB ARG A 60 -20.956 19.535 6.860 1.00 20.00 C ATOM 1097 CG ARG A 60 -21.465 20.924 7.208 1.00 20.00 C ATOM 1098 CD ARG A 60 -22.002 20.983 8.630 1.00 20.00 C ATOM 1099 NE ARG A 60 -20.955 20.753 9.628 1.00 20.00 N ATOM 1100 CZ ARG A 60 -20.996 21.229 10.874 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -22.013 21.986 11.268 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -20.009 20.959 11.721 1.00 20.00 N ATOM 0 H ARG A 60 -20.050 17.426 5.960 1.00 20.00 H new ATOM 0 HA ARG A 60 -20.884 19.777 4.722 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -21.800 18.845 6.830 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -20.292 19.191 7.653 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -20.658 21.647 7.093 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -22.251 21.210 6.509 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -22.459 21.957 8.804 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -22.787 20.237 8.751 1.00 20.00 H new ATOM 0 HE ARG A 60 -20.146 20.196 9.354 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -22.767 22.206 10.617 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -22.040 22.348 12.221 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -19.220 20.388 11.419 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -20.040 21.323 12.673 1.00 20.00 H new ATOM 1116 N SER A 61 -18.247 20.353 6.620 1.00 20.00 N ATOM 1117 CA SER A 61 -17.061 21.177 6.765 1.00 20.00 C ATOM 1118 C SER A 61 -15.884 20.293 7.143 1.00 20.00 C ATOM 1119 O SER A 61 -15.027 20.679 7.937 1.00 20.00 O ATOM 1120 CB SER A 61 -17.288 22.257 7.829 1.00 20.00 C ATOM 1121 OG SER A 61 -18.476 22.991 7.566 1.00 20.00 O ATOM 0 H SER A 61 -18.421 19.726 7.405 1.00 20.00 H new ATOM 0 HA SER A 61 -16.847 21.676 5.820 1.00 20.00 H new ATOM 0 HB2 SER A 61 -17.353 21.794 8.814 1.00 20.00 H new ATOM 0 HB3 SER A 61 -16.435 22.935 7.851 1.00 20.00 H new ATOM 0 HG SER A 61 -18.600 23.673 8.259 1.00 20.00 H new ATOM 1127 N LYS A 62 -15.881 19.085 6.572 1.00 20.00 N ATOM 1128 CA LYS A 62 -14.871 18.070 6.864 1.00 20.00 C ATOM 1129 C LYS A 62 -15.020 17.595 8.315 1.00 20.00 C ATOM 1130 O LYS A 62 -15.920 18.054 9.023 1.00 20.00 O ATOM 1131 CB LYS A 62 -13.465 18.623 6.580 1.00 20.00 C ATOM 1132 CG LYS A 62 -12.415 17.556 6.324 1.00 20.00 C ATOM 1133 CD LYS A 62 -11.136 18.161 5.775 1.00 20.00 C ATOM 1134 CE LYS A 62 -10.107 17.092 5.445 1.00 20.00 C ATOM 1135 NZ LYS A 62 -9.680 16.338 6.650 1.00 20.00 N ATOM 0 H LYS A 62 -16.581 18.785 5.893 1.00 20.00 H new ATOM 0 HA LYS A 62 -15.017 17.207 6.214 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -13.515 19.283 5.714 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -13.149 19.232 7.427 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -12.200 17.025 7.251 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -12.804 16.822 5.619 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -11.362 18.738 4.878 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -10.719 18.855 6.505 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -10.525 16.400 4.714 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -9.237 17.557 4.982 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -8.873 15.728 6.410 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -9.399 17.006 7.396 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -10.469 15.751 6.990 1.00 20.00 H new ATOM 1149 N GLN A 63 -14.167 16.664 8.738 1.00 20.00 N ATOM 1150 CA GLN A 63 -14.216 16.111 10.096 1.00 20.00 C ATOM 1151 C GLN A 63 -15.520 15.353 10.328 1.00 20.00 C ATOM 1152 O GLN A 63 -15.638 14.221 9.812 1.00 20.00 O ATOM 1153 CB GLN A 63 -14.038 17.206 11.153 1.00 20.00 C ATOM 1154 CG GLN A 63 -12.676 17.872 11.112 1.00 20.00 C ATOM 1155 CD GLN A 63 -12.500 18.906 12.203 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -13.078 18.792 13.284 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -11.697 19.920 11.930 1.00 20.00 N ATOM 1158 OXT GLN A 63 -16.413 15.876 11.032 1.00 20.00 O ATOM 0 H GLN A 63 -13.426 16.272 8.156 1.00 20.00 H new ATOM 0 HA GLN A 63 -13.386 15.411 10.195 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -14.809 17.964 11.012 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -14.193 16.774 12.142 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -11.901 17.112 11.209 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -12.537 18.347 10.141 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -11.237 19.976 11.021 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -11.537 20.646 12.628 1.00 20.00 H new TER 1167 GLN A 63