USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 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+ 150:sc= 1.26 (180deg=0.862) USER MOD Single : A 2 ASN : amide:sc= 1.15 K(o=1.2,f=-0.048) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 172:sc=-0.00232 (180deg=-0.0729) 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+ -179:sc= 0.682 (180deg=0.608) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -109:sc= 1.24 USER MOD Single : A 17 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.73) USER MOD Single : A 19 ASN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 20 SER OG : rot 78:sc= 0.311 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.0445 (180deg=-0.306) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.03 X(o=-0.03,f=-0.002) USER MOD Single : A 49 MET CE :methyl 145:sc= -0.0554 (180deg=-0.803) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0.904 (180deg=0.876) USER MOD Single : A 56 MET CE :methyl -161:sc= -0.0936 (180deg=-0.54) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -2.57! C(o=-2.6!,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -6.349 -13.975 1.905 1.00 20.00 N ATOM 2 CA MET A -7 -6.068 -15.259 2.583 1.00 20.00 C ATOM 3 C MET A -7 -4.860 -15.136 3.509 1.00 20.00 C ATOM 4 O MET A -7 -4.285 -16.146 3.921 1.00 20.00 O ATOM 5 CB MET A -7 -5.829 -16.371 1.555 1.00 20.00 C ATOM 6 CG MET A -7 -7.065 -16.730 0.746 1.00 20.00 C ATOM 7 SD MET A -7 -8.412 -17.347 1.777 1.00 20.00 S ATOM 8 CE MET A -7 -9.679 -17.626 0.541 1.00 20.00 C ATOM 0 H1 MET A -7 -7.184 -14.080 1.295 1.00 20.00 H new ATOM 0 H2 MET A -7 -6.531 -13.239 2.617 1.00 20.00 H new ATOM 0 H3 MET A -7 -5.530 -13.702 1.326 1.00 20.00 H new ATOM 0 HA MET A -7 -6.940 -15.516 3.185 1.00 20.00 H new ATOM 0 HB2 MET A -7 -5.037 -16.060 0.874 1.00 20.00 H new ATOM 0 HB3 MET A -7 -5.473 -17.262 2.072 1.00 20.00 H new ATOM 0 HG2 MET A -7 -7.405 -15.851 0.198 1.00 20.00 H new ATOM 0 HG3 MET A -7 -6.803 -17.486 0.005 1.00 20.00 H new ATOM 0 HE1 MET A -7 -10.579 -18.010 1.022 1.00 20.00 H new ATOM 0 HE2 MET A -7 -9.909 -16.687 0.038 1.00 20.00 H new ATOM 0 HE3 MET A -7 -9.321 -18.351 -0.190 1.00 20.00 H new ATOM 20 N ASP A -6 -4.488 -13.895 3.846 1.00 20.00 N ATOM 21 CA ASP A -6 -3.350 -13.638 4.728 1.00 20.00 C ATOM 22 C ASP A -6 -3.138 -12.141 4.940 1.00 20.00 C ATOM 23 O ASP A -6 -3.514 -11.329 4.095 1.00 20.00 O ATOM 24 CB ASP A -6 -2.054 -14.250 4.168 1.00 20.00 C ATOM 25 CG ASP A -6 -1.636 -13.662 2.832 1.00 20.00 C ATOM 26 OD1 ASP A -6 -1.007 -12.582 2.815 1.00 20.00 O ATOM 27 OD2 ASP A -6 -1.919 -14.288 1.788 1.00 20.00 O ATOM 0 H ASP A -6 -4.962 -13.053 3.519 1.00 20.00 H new ATOM 0 HA ASP A -6 -3.584 -14.108 5.683 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -1.250 -14.102 4.889 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -2.188 -15.326 4.057 1.00 20.00 H new ATOM 32 N TYR A -5 -2.563 -11.806 6.097 1.00 20.00 N ATOM 33 CA TYR A -5 -2.064 -10.459 6.412 1.00 20.00 C ATOM 34 C TYR A -5 -3.073 -9.336 6.159 1.00 20.00 C ATOM 35 O TYR A -5 -3.870 -9.000 7.035 1.00 20.00 O ATOM 36 CB TYR A -5 -0.761 -10.186 5.658 1.00 20.00 C ATOM 37 CG TYR A -5 0.426 -10.929 6.225 1.00 20.00 C ATOM 38 CD1 TYR A -5 1.159 -10.396 7.275 1.00 20.00 C ATOM 39 CD2 TYR A -5 0.812 -12.163 5.718 1.00 20.00 C ATOM 40 CE1 TYR A -5 2.239 -11.067 7.804 1.00 20.00 C ATOM 41 CE2 TYR A -5 1.895 -12.842 6.243 1.00 20.00 C ATOM 42 CZ TYR A -5 2.604 -12.289 7.287 1.00 20.00 C ATOM 43 OH TYR A -5 3.682 -12.959 7.822 1.00 20.00 O ATOM 0 H TYR A -5 -2.427 -12.473 6.857 1.00 20.00 H new ATOM 0 HA TYR A -5 -1.883 -10.454 7.487 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -0.889 -10.465 4.612 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -0.555 -9.116 5.679 1.00 20.00 H new ATOM 0 HD1 TYR A -5 0.878 -9.437 7.685 1.00 20.00 H new ATOM 0 HD2 TYR A -5 0.257 -12.599 4.900 1.00 20.00 H new ATOM 0 HE1 TYR A -5 2.797 -10.636 8.622 1.00 20.00 H new ATOM 0 HE2 TYR A -5 2.184 -13.800 5.837 1.00 20.00 H new ATOM 0 HH TYR A -5 3.809 -13.807 7.347 1.00 20.00 H new ATOM 53 N LYS A -4 -3.035 -8.750 4.970 1.00 20.00 N ATOM 54 CA LYS A -4 -3.855 -7.580 4.685 1.00 20.00 C ATOM 55 C LYS A -4 -4.747 -7.815 3.479 1.00 20.00 C ATOM 56 O LYS A -4 -5.489 -6.924 3.062 1.00 20.00 O ATOM 57 CB LYS A -4 -2.989 -6.325 4.466 1.00 20.00 C ATOM 58 CG LYS A -4 -2.059 -6.386 3.254 1.00 20.00 C ATOM 59 CD LYS A -4 -0.802 -7.194 3.536 1.00 20.00 C ATOM 60 CE LYS A -4 0.068 -7.324 2.294 1.00 20.00 C ATOM 61 NZ LYS A -4 0.589 -6.010 1.831 1.00 20.00 N ATOM 0 H LYS A -4 -2.451 -9.062 4.194 1.00 20.00 H new ATOM 0 HA LYS A -4 -4.487 -7.412 5.557 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -3.647 -5.462 4.358 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -2.387 -6.157 5.359 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -2.591 -6.827 2.411 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -1.780 -5.374 2.960 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -0.232 -6.716 4.332 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -1.078 -8.186 3.893 1.00 20.00 H new ATOM 0 HE2 LYS A -4 0.904 -7.990 2.507 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -0.511 -7.785 1.494 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 1.281 -6.160 1.069 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -0.198 -5.431 1.475 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 1.048 -5.519 2.625 1.00 20.00 H new ATOM 75 N ASP A -3 -4.685 -9.015 2.926 1.00 20.00 N ATOM 76 CA ASP A -3 -5.489 -9.352 1.758 1.00 20.00 C ATOM 77 C ASP A -3 -6.961 -9.470 2.131 1.00 20.00 C ATOM 78 O ASP A -3 -7.846 -9.216 1.315 1.00 20.00 O ATOM 79 CB ASP A -3 -5.010 -10.660 1.125 1.00 20.00 C ATOM 80 CG ASP A -3 -5.809 -11.017 -0.109 1.00 20.00 C ATOM 81 OD1 ASP A -3 -5.585 -10.390 -1.166 1.00 20.00 O ATOM 82 OD2 ASP A -3 -6.677 -11.915 -0.026 1.00 20.00 O ATOM 0 H ASP A -3 -4.089 -9.771 3.264 1.00 20.00 H new ATOM 0 HA ASP A -3 -5.372 -8.547 1.032 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -3.956 -10.571 0.862 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -5.089 -11.466 1.854 1.00 20.00 H new ATOM 87 N ASP A -2 -7.219 -9.831 3.377 1.00 20.00 N ATOM 88 CA ASP A -2 -8.586 -10.020 3.850 1.00 20.00 C ATOM 89 C ASP A -2 -9.100 -8.758 4.519 1.00 20.00 C ATOM 90 O ASP A -2 -10.112 -8.776 5.222 1.00 20.00 O ATOM 91 CB ASP A -2 -8.666 -11.201 4.815 1.00 20.00 C ATOM 92 CG ASP A -2 -8.194 -12.485 4.176 1.00 20.00 C ATOM 93 OD1 ASP A -2 -6.968 -12.717 4.135 1.00 20.00 O ATOM 94 OD2 ASP A -2 -9.039 -13.265 3.696 1.00 20.00 O ATOM 0 H ASP A -2 -6.501 -10.000 4.082 1.00 20.00 H new ATOM 0 HA ASP A -2 -9.216 -10.236 2.987 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -8.061 -10.991 5.697 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -9.694 -11.322 5.156 1.00 20.00 H new ATOM 99 N ASP A -1 -8.391 -7.663 4.299 1.00 20.00 N ATOM 100 CA ASP A -1 -8.816 -6.359 4.784 1.00 20.00 C ATOM 101 C ASP A -1 -9.434 -5.584 3.629 1.00 20.00 C ATOM 102 O ASP A -1 -8.901 -4.572 3.175 1.00 20.00 O ATOM 103 CB ASP A -1 -7.629 -5.594 5.391 1.00 20.00 C ATOM 104 CG ASP A -1 -8.026 -4.258 5.999 1.00 20.00 C ATOM 105 OD1 ASP A -1 -9.115 -4.168 6.601 1.00 20.00 O ATOM 106 OD2 ASP A -1 -7.234 -3.294 5.901 1.00 20.00 O ATOM 0 H ASP A -1 -7.511 -7.652 3.783 1.00 20.00 H new ATOM 0 HA ASP A -1 -9.559 -6.484 5.571 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -7.162 -6.211 6.159 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -6.880 -5.426 4.618 1.00 20.00 H new ATOM 111 N ASP A 0 -10.556 -6.095 3.132 1.00 20.00 N ATOM 112 CA ASP A 0 -11.245 -5.489 1.996 1.00 20.00 C ATOM 113 C ASP A 0 -11.872 -4.162 2.396 1.00 20.00 C ATOM 114 O ASP A 0 -12.010 -3.257 1.573 1.00 20.00 O ATOM 115 CB ASP A 0 -12.320 -6.432 1.441 1.00 20.00 C ATOM 116 CG ASP A 0 -13.428 -6.712 2.434 1.00 20.00 C ATOM 117 OD1 ASP A 0 -13.291 -7.664 3.231 1.00 20.00 O ATOM 118 OD2 ASP A 0 -14.441 -5.984 2.426 1.00 20.00 O ATOM 0 H ASP A 0 -11.010 -6.931 3.500 1.00 20.00 H new ATOM 0 HA ASP A 0 -10.507 -5.308 1.214 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -12.749 -5.995 0.539 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -11.855 -7.373 1.149 1.00 20.00 H new ATOM 123 N LYS A 1 -12.207 -4.044 3.675 1.00 20.00 N ATOM 124 CA LYS A 1 -12.818 -2.830 4.215 1.00 20.00 C ATOM 125 C LYS A 1 -11.826 -1.671 4.230 1.00 20.00 C ATOM 126 O LYS A 1 -12.177 -0.547 4.592 1.00 20.00 O ATOM 127 CB LYS A 1 -13.330 -3.087 5.637 1.00 20.00 C ATOM 128 CG LYS A 1 -12.271 -3.663 6.565 1.00 20.00 C ATOM 129 CD LYS A 1 -12.757 -3.741 8.002 1.00 20.00 C ATOM 130 CE LYS A 1 -11.728 -4.405 8.906 1.00 20.00 C ATOM 131 NZ LYS A 1 -10.413 -3.712 8.863 1.00 20.00 N ATOM 0 H LYS A 1 -12.065 -4.781 4.366 1.00 20.00 H new ATOM 0 HA LYS A 1 -13.653 -2.559 3.569 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -13.700 -2.152 6.057 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -14.176 -3.773 5.592 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -11.991 -4.659 6.222 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -11.374 -3.046 6.519 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -12.971 -2.737 8.369 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -13.691 -4.301 8.041 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -12.099 -4.414 9.931 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -11.599 -5.445 8.605 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -9.932 -3.823 9.778 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -9.826 -4.127 8.111 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -10.560 -2.701 8.669 1.00 20.00 H new ATOM 145 N ASN A 2 -10.591 -1.951 3.839 1.00 20.00 N ATOM 146 CA ASN A 2 -9.542 -0.940 3.812 1.00 20.00 C ATOM 147 C ASN A 2 -9.896 0.178 2.839 1.00 20.00 C ATOM 148 O ASN A 2 -9.763 1.361 3.157 1.00 20.00 O ATOM 149 CB ASN A 2 -8.214 -1.567 3.389 1.00 20.00 C ATOM 150 CG ASN A 2 -7.033 -0.666 3.668 1.00 20.00 C ATOM 151 OD1 ASN A 2 -6.713 0.223 2.881 1.00 20.00 O ATOM 152 ND2 ASN A 2 -6.359 -0.908 4.778 1.00 20.00 N ATOM 0 H ASN A 2 -10.289 -2.876 3.534 1.00 20.00 H new ATOM 0 HA ASN A 2 -9.449 -0.525 4.816 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -8.078 -2.512 3.915 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -8.248 -1.797 2.324 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -5.539 -0.347 5.009 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -6.659 -1.656 5.404 1.00 20.00 H new ATOM 159 N ARG A 3 -10.353 -0.210 1.657 1.00 20.00 N ATOM 160 CA ARG A 3 -10.672 0.747 0.606 1.00 20.00 C ATOM 161 C ARG A 3 -11.778 0.206 -0.297 1.00 20.00 C ATOM 162 O ARG A 3 -11.649 0.176 -1.520 1.00 20.00 O ATOM 163 CB ARG A 3 -9.415 1.079 -0.208 1.00 20.00 C ATOM 164 CG ARG A 3 -8.735 -0.135 -0.827 1.00 20.00 C ATOM 165 CD ARG A 3 -7.451 0.251 -1.545 1.00 20.00 C ATOM 166 NE ARG A 3 -7.679 1.223 -2.614 1.00 20.00 N ATOM 167 CZ ARG A 3 -6.729 1.648 -3.446 1.00 20.00 C ATOM 168 NH1 ARG A 3 -5.485 1.193 -3.325 1.00 20.00 N ATOM 169 NH2 ARG A 3 -7.021 2.527 -4.395 1.00 20.00 N ATOM 0 H ARG A 3 -10.512 -1.184 1.401 1.00 20.00 H new ATOM 0 HA ARG A 3 -11.035 1.665 1.069 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -9.683 1.776 -1.002 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -8.702 1.591 0.438 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -8.513 -0.865 -0.049 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -9.416 -0.616 -1.530 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -6.746 0.666 -0.825 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -6.989 -0.643 -1.964 1.00 20.00 H new ATOM 0 HE ARG A 3 -8.621 1.598 -2.729 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -5.258 0.518 -2.595 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -4.758 1.519 -3.962 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -7.974 2.879 -4.489 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -6.293 2.851 -5.031 1.00 20.00 H new ATOM 183 N ALA A 4 -12.871 -0.217 0.317 1.00 20.00 N ATOM 184 CA ALA A 4 -13.979 -0.810 -0.420 1.00 20.00 C ATOM 185 C ALA A 4 -15.066 0.218 -0.723 1.00 20.00 C ATOM 186 O ALA A 4 -16.171 0.139 -0.179 1.00 20.00 O ATOM 187 CB ALA A 4 -14.562 -1.976 0.362 1.00 20.00 C ATOM 0 H ALA A 4 -13.016 -0.161 1.325 1.00 20.00 H new ATOM 0 HA ALA A 4 -13.591 -1.173 -1.372 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -15.389 -2.412 -0.198 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -13.792 -2.731 0.518 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -14.924 -1.622 1.327 1.00 20.00 H new ATOM 193 N LEU A 5 -14.741 1.180 -1.586 1.00 20.00 N ATOM 194 CA LEU A 5 -15.695 2.202 -2.019 1.00 20.00 C ATOM 195 C LEU A 5 -16.298 2.941 -0.827 1.00 20.00 C ATOM 196 O LEU A 5 -17.519 2.991 -0.673 1.00 20.00 O ATOM 197 CB LEU A 5 -16.810 1.573 -2.863 1.00 20.00 C ATOM 198 CG LEU A 5 -16.366 0.949 -4.190 1.00 20.00 C ATOM 199 CD1 LEU A 5 -17.517 0.189 -4.831 1.00 20.00 C ATOM 200 CD2 LEU A 5 -15.849 2.017 -5.143 1.00 20.00 C ATOM 0 H LEU A 5 -13.815 1.273 -2.003 1.00 20.00 H new ATOM 0 HA LEU A 5 -15.151 2.924 -2.628 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -17.302 0.804 -2.267 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -17.557 2.339 -3.074 1.00 20.00 H new ATOM 0 HG LEU A 5 -15.556 0.250 -3.982 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -17.185 -0.248 -5.773 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -17.848 -0.604 -4.160 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -18.344 0.873 -5.020 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -15.539 1.551 -6.078 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -16.640 2.740 -5.342 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -14.997 2.526 -4.692 1.00 20.00 H new ATOM 212 N SER A 6 -15.424 3.496 0.008 1.00 20.00 N ATOM 213 CA SER A 6 -15.829 4.275 1.177 1.00 20.00 C ATOM 214 C SER A 6 -16.559 3.404 2.204 1.00 20.00 C ATOM 215 O SER A 6 -17.753 3.133 2.067 1.00 20.00 O ATOM 216 CB SER A 6 -16.710 5.454 0.746 1.00 20.00 C ATOM 217 OG SER A 6 -16.062 6.226 -0.257 1.00 20.00 O ATOM 0 H SER A 6 -14.413 3.419 -0.106 1.00 20.00 H new ATOM 0 HA SER A 6 -14.929 4.662 1.654 1.00 20.00 H new ATOM 0 HB2 SER A 6 -17.663 5.083 0.368 1.00 20.00 H new ATOM 0 HB3 SER A 6 -16.932 6.082 1.608 1.00 20.00 H new ATOM 0 HG SER A 6 -16.640 6.972 -0.520 1.00 20.00 H new ATOM 223 N PRO A 7 -15.840 2.947 3.248 1.00 20.00 N ATOM 224 CA PRO A 7 -16.415 2.107 4.306 1.00 20.00 C ATOM 225 C PRO A 7 -17.664 2.736 4.919 1.00 20.00 C ATOM 226 O PRO A 7 -17.713 3.953 5.117 1.00 20.00 O ATOM 227 CB PRO A 7 -15.297 2.011 5.346 1.00 20.00 C ATOM 228 CG PRO A 7 -14.041 2.280 4.588 1.00 20.00 C ATOM 229 CD PRO A 7 -14.411 3.223 3.476 1.00 20.00 C ATOM 0 HA PRO A 7 -16.736 1.137 3.926 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -15.439 2.738 6.146 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -15.274 1.025 5.811 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -13.283 2.721 5.236 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -13.622 1.356 4.190 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -14.244 4.262 3.759 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -13.819 3.038 2.580 1.00 20.00 H new ATOM 237 N MET A 8 -18.655 1.900 5.225 1.00 20.00 N ATOM 238 CA MET A 8 -19.963 2.367 5.678 1.00 20.00 C ATOM 239 C MET A 8 -20.597 3.252 4.612 1.00 20.00 C ATOM 240 O MET A 8 -20.430 4.473 4.625 1.00 20.00 O ATOM 241 CB MET A 8 -19.870 3.121 7.012 1.00 20.00 C ATOM 242 CG MET A 8 -19.715 2.221 8.232 1.00 20.00 C ATOM 243 SD MET A 8 -18.144 1.331 8.273 1.00 20.00 S ATOM 244 CE MET A 8 -18.307 0.446 9.823 1.00 20.00 C ATOM 0 H MET A 8 -18.574 0.885 5.166 1.00 20.00 H new ATOM 0 HA MET A 8 -20.591 1.491 5.842 1.00 20.00 H new ATOM 0 HB2 MET A 8 -19.023 3.806 6.970 1.00 20.00 H new ATOM 0 HB3 MET A 8 -20.766 3.729 7.135 1.00 20.00 H new ATOM 0 HG2 MET A 8 -19.805 2.826 9.134 1.00 20.00 H new ATOM 0 HG3 MET A 8 -20.533 1.500 8.249 1.00 20.00 H new ATOM 0 HE1 MET A 8 -17.413 -0.154 9.995 1.00 20.00 H new ATOM 0 HE2 MET A 8 -18.428 1.159 10.638 1.00 20.00 H new ATOM 0 HE3 MET A 8 -19.179 -0.206 9.779 1.00 20.00 H new ATOM 254 N VAL A 9 -21.314 2.618 3.688 1.00 20.00 N ATOM 255 CA VAL A 9 -21.908 3.313 2.549 1.00 20.00 C ATOM 256 C VAL A 9 -22.730 4.515 3.008 1.00 20.00 C ATOM 257 O VAL A 9 -23.656 4.386 3.812 1.00 20.00 O ATOM 258 CB VAL A 9 -22.795 2.364 1.711 1.00 20.00 C ATOM 259 CG1 VAL A 9 -23.394 3.089 0.513 1.00 20.00 C ATOM 260 CG2 VAL A 9 -21.996 1.153 1.252 1.00 20.00 C ATOM 0 H VAL A 9 -21.499 1.615 3.707 1.00 20.00 H new ATOM 0 HA VAL A 9 -21.088 3.665 1.923 1.00 20.00 H new ATOM 0 HB VAL A 9 -23.614 2.023 2.345 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -24.013 2.397 -0.058 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -24.006 3.922 0.860 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -22.592 3.467 -0.121 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -22.637 0.496 0.664 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -21.155 1.482 0.641 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -21.623 0.612 2.122 1.00 20.00 H new ATOM 270 N SER A 10 -22.370 5.684 2.502 1.00 20.00 N ATOM 271 CA SER A 10 -22.997 6.922 2.920 1.00 20.00 C ATOM 272 C SER A 10 -24.225 7.221 2.068 1.00 20.00 C ATOM 273 O SER A 10 -24.166 8.009 1.119 1.00 20.00 O ATOM 274 CB SER A 10 -21.997 8.080 2.838 1.00 20.00 C ATOM 275 OG SER A 10 -22.540 9.274 3.384 1.00 20.00 O ATOM 0 H SER A 10 -21.642 5.798 1.797 1.00 20.00 H new ATOM 0 HA SER A 10 -23.318 6.810 3.955 1.00 20.00 H new ATOM 0 HB2 SER A 10 -21.086 7.814 3.374 1.00 20.00 H new ATOM 0 HB3 SER A 10 -21.717 8.248 1.798 1.00 20.00 H new ATOM 0 HG SER A 10 -21.878 9.994 3.319 1.00 20.00 H new ATOM 281 N GLU A 11 -25.326 6.564 2.387 1.00 20.00 N ATOM 282 CA GLU A 11 -26.599 6.868 1.753 1.00 20.00 C ATOM 283 C GLU A 11 -27.278 7.990 2.535 1.00 20.00 C ATOM 284 O GLU A 11 -26.838 8.318 3.639 1.00 20.00 O ATOM 285 CB GLU A 11 -27.477 5.610 1.675 1.00 20.00 C ATOM 286 CG GLU A 11 -26.811 4.471 0.910 1.00 20.00 C ATOM 287 CD GLU A 11 -27.697 3.251 0.740 1.00 20.00 C ATOM 288 OE1 GLU A 11 -28.629 3.297 -0.088 1.00 20.00 O ATOM 289 OE2 GLU A 11 -27.453 2.234 1.417 1.00 20.00 O ATOM 0 H GLU A 11 -25.366 5.817 3.080 1.00 20.00 H new ATOM 0 HA GLU A 11 -26.438 7.203 0.728 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -27.713 5.274 2.685 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -28.422 5.861 1.193 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -26.512 4.832 -0.074 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -25.900 4.178 1.432 1.00 20.00 H new ATOM 296 N PHE A 12 -28.326 8.580 1.963 1.00 20.00 N ATOM 297 CA PHE A 12 -28.956 9.776 2.536 1.00 20.00 C ATOM 298 C PHE A 12 -29.287 9.613 4.021 1.00 20.00 C ATOM 299 O PHE A 12 -28.892 10.441 4.842 1.00 20.00 O ATOM 300 CB PHE A 12 -30.218 10.156 1.755 1.00 20.00 C ATOM 301 CG PHE A 12 -29.932 10.689 0.377 1.00 20.00 C ATOM 302 CD1 PHE A 12 -29.631 12.030 0.190 1.00 20.00 C ATOM 303 CD2 PHE A 12 -29.963 9.854 -0.730 1.00 20.00 C ATOM 304 CE1 PHE A 12 -29.366 12.527 -1.071 1.00 20.00 C ATOM 305 CE2 PHE A 12 -29.698 10.348 -1.994 1.00 20.00 C ATOM 306 CZ PHE A 12 -29.400 11.685 -2.163 1.00 20.00 C ATOM 0 H PHE A 12 -28.760 8.251 1.101 1.00 20.00 H new ATOM 0 HA PHE A 12 -28.226 10.581 2.452 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -30.862 9.280 1.671 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -30.773 10.906 2.319 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -29.604 12.694 1.041 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -30.197 8.807 -0.603 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -29.133 13.573 -1.202 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -29.724 9.688 -2.849 1.00 20.00 H new ATOM 0 HZ PHE A 12 -29.193 12.072 -3.150 1.00 20.00 H new ATOM 316 N GLU A 13 -29.989 8.548 4.367 1.00 20.00 N ATOM 317 CA GLU A 13 -30.369 8.317 5.750 1.00 20.00 C ATOM 318 C GLU A 13 -30.368 6.827 6.058 1.00 20.00 C ATOM 319 O GLU A 13 -29.480 6.325 6.751 1.00 20.00 O ATOM 320 CB GLU A 13 -31.747 8.919 6.029 1.00 20.00 C ATOM 321 CG GLU A 13 -32.202 8.762 7.468 1.00 20.00 C ATOM 322 CD GLU A 13 -33.563 9.370 7.710 1.00 20.00 C ATOM 323 OE1 GLU A 13 -33.650 10.609 7.836 1.00 20.00 O ATOM 324 OE2 GLU A 13 -34.554 8.616 7.770 1.00 20.00 O ATOM 0 H GLU A 13 -30.306 7.832 3.713 1.00 20.00 H new ATOM 0 HA GLU A 13 -29.640 8.804 6.397 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -31.728 9.979 5.777 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -32.479 8.448 5.373 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -32.229 7.703 7.724 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -31.474 9.232 8.130 1.00 20.00 H new ATOM 331 N THR A 14 -31.358 6.125 5.537 1.00 20.00 N ATOM 332 CA THR A 14 -31.435 4.690 5.707 1.00 20.00 C ATOM 333 C THR A 14 -30.470 4.014 4.742 1.00 20.00 C ATOM 334 O THR A 14 -30.437 4.334 3.551 1.00 20.00 O ATOM 335 CB THR A 14 -32.880 4.168 5.502 1.00 20.00 C ATOM 336 OG1 THR A 14 -32.926 2.743 5.641 1.00 20.00 O ATOM 337 CG2 THR A 14 -33.431 4.568 4.145 1.00 20.00 C ATOM 0 H THR A 14 -32.120 6.529 4.992 1.00 20.00 H new ATOM 0 HA THR A 14 -31.151 4.446 6.730 1.00 20.00 H new ATOM 0 HB THR A 14 -33.502 4.625 6.272 1.00 20.00 H new ATOM 0 HG1 THR A 14 -33.078 2.334 4.764 1.00 20.00 H new ATOM 0 HG21 THR A 14 -34.446 4.185 4.037 1.00 20.00 H new ATOM 0 HG22 THR A 14 -33.443 5.655 4.063 1.00 20.00 H new ATOM 0 HG23 THR A 14 -32.800 4.152 3.359 1.00 20.00 H new ATOM 345 N ILE A 15 -29.658 3.113 5.262 1.00 20.00 N ATOM 346 CA ILE A 15 -28.645 2.464 4.454 1.00 20.00 C ATOM 347 C ILE A 15 -29.193 1.159 3.903 1.00 20.00 C ATOM 348 O ILE A 15 -29.194 0.128 4.582 1.00 20.00 O ATOM 349 CB ILE A 15 -27.357 2.193 5.259 1.00 20.00 C ATOM 350 CG1 ILE A 15 -26.915 3.445 6.024 1.00 20.00 C ATOM 351 CG2 ILE A 15 -26.241 1.729 4.333 1.00 20.00 C ATOM 352 CD1 ILE A 15 -26.644 4.645 5.146 1.00 20.00 C ATOM 0 H ILE A 15 -29.680 2.815 6.237 1.00 20.00 H new ATOM 0 HA ILE A 15 -28.388 3.135 3.635 1.00 20.00 H new ATOM 0 HB ILE A 15 -27.571 1.405 5.981 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -27.687 3.706 6.748 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -26.013 3.212 6.590 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -25.339 1.542 4.916 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -26.544 0.811 3.829 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -26.040 2.501 3.590 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -26.337 5.487 5.766 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -25.850 4.406 4.439 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -27.550 4.908 4.600 1.00 20.00 H new ATOM 364 N GLU A 16 -29.667 1.206 2.674 1.00 20.00 N ATOM 365 CA GLU A 16 -30.310 0.062 2.060 1.00 20.00 C ATOM 366 C GLU A 16 -29.274 -0.992 1.699 1.00 20.00 C ATOM 367 O GLU A 16 -29.557 -2.193 1.711 1.00 20.00 O ATOM 368 CB GLU A 16 -31.092 0.506 0.828 1.00 20.00 C ATOM 369 CG GLU A 16 -32.140 1.565 1.135 1.00 20.00 C ATOM 370 CD GLU A 16 -33.143 1.108 2.175 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.873 1.263 3.389 1.00 20.00 O ATOM 372 OE2 GLU A 16 -34.211 0.595 1.786 1.00 20.00 O ATOM 0 H GLU A 16 -29.618 2.032 2.077 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.009 -0.381 2.769 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.397 0.897 0.085 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -31.580 -0.361 0.383 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -31.645 2.470 1.486 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.667 1.826 0.217 1.00 20.00 H new ATOM 379 N GLN A 17 -28.061 -0.539 1.412 1.00 20.00 N ATOM 380 CA GLN A 17 -26.955 -1.445 1.141 1.00 20.00 C ATOM 381 C GLN A 17 -26.618 -2.244 2.396 1.00 20.00 C ATOM 382 O GLN A 17 -26.166 -3.383 2.320 1.00 20.00 O ATOM 383 CB GLN A 17 -25.725 -0.670 0.650 1.00 20.00 C ATOM 384 CG GLN A 17 -24.512 -1.552 0.386 1.00 20.00 C ATOM 385 CD GLN A 17 -24.802 -2.677 -0.590 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.633 -2.541 -1.488 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.124 -3.801 -0.418 1.00 20.00 N ATOM 0 H GLN A 17 -27.819 0.451 1.361 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.255 -2.136 0.353 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.983 -0.138 -0.266 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.461 0.083 1.392 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -23.701 -0.938 -0.005 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.165 -1.976 1.328 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -23.443 -3.875 0.338 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.282 -4.593 -1.042 1.00 20.00 H new ATOM 396 N GLU A 18 -26.876 -1.643 3.547 1.00 20.00 N ATOM 397 CA GLU A 18 -26.624 -2.284 4.831 1.00 20.00 C ATOM 398 C GLU A 18 -27.549 -3.482 5.012 1.00 20.00 C ATOM 399 O GLU A 18 -27.131 -4.541 5.475 1.00 20.00 O ATOM 400 CB GLU A 18 -26.833 -1.272 5.960 1.00 20.00 C ATOM 401 CG GLU A 18 -26.596 -1.811 7.358 1.00 20.00 C ATOM 402 CD GLU A 18 -26.924 -0.782 8.416 1.00 20.00 C ATOM 403 OE1 GLU A 18 -28.103 -0.699 8.820 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.012 -0.041 8.841 1.00 20.00 O ATOM 0 H GLU A 18 -27.264 -0.702 3.619 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.594 -2.638 4.859 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.167 -0.425 5.796 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.853 -0.891 5.902 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.206 -2.701 7.514 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.555 -2.117 7.458 1.00 20.00 H new ATOM 411 N ASN A 19 -28.805 -3.314 4.614 1.00 20.00 N ATOM 412 CA ASN A 19 -29.786 -4.389 4.725 1.00 20.00 C ATOM 413 C ASN A 19 -29.560 -5.429 3.642 1.00 20.00 C ATOM 414 O ASN A 19 -29.641 -6.626 3.899 1.00 20.00 O ATOM 415 CB ASN A 19 -31.220 -3.852 4.643 1.00 20.00 C ATOM 416 CG ASN A 19 -31.736 -3.320 5.968 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.936 -3.373 6.242 1.00 20.00 O ATOM 418 ND2 ASN A 19 -30.843 -2.805 6.798 1.00 20.00 N ATOM 0 H ASN A 19 -29.167 -2.449 4.214 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.654 -4.855 5.702 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.261 -3.057 3.899 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.880 -4.647 4.297 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.140 -2.434 7.701 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -29.858 -2.779 6.535 1.00 20.00 H new ATOM 425 N SER A 20 -29.249 -4.969 2.434 1.00 20.00 N ATOM 426 CA SER A 20 -28.992 -5.869 1.314 1.00 20.00 C ATOM 427 C SER A 20 -27.674 -6.619 1.500 1.00 20.00 C ATOM 428 O SER A 20 -27.382 -7.576 0.783 1.00 20.00 O ATOM 429 CB SER A 20 -28.971 -5.085 0.002 1.00 20.00 C ATOM 430 OG SER A 20 -30.208 -4.424 -0.216 1.00 20.00 O ATOM 0 H SER A 20 -29.169 -3.978 2.205 1.00 20.00 H new ATOM 0 HA SER A 20 -29.797 -6.603 1.279 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.163 -4.354 0.024 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.765 -5.762 -0.827 1.00 20.00 H new ATOM 0 HG SER A 20 -30.247 -3.614 0.334 1.00 20.00 H new ATOM 436 N TYR A 21 -26.875 -6.173 2.458 1.00 20.00 N ATOM 437 CA TYR A 21 -25.619 -6.833 2.770 1.00 20.00 C ATOM 438 C TYR A 21 -25.874 -8.101 3.581 1.00 20.00 C ATOM 439 O TYR A 21 -25.023 -8.989 3.655 1.00 20.00 O ATOM 440 CB TYR A 21 -24.695 -5.878 3.535 1.00 20.00 C ATOM 441 CG TYR A 21 -23.328 -6.451 3.823 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.436 -6.722 2.791 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.931 -6.731 5.122 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.187 -7.253 3.050 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.686 -7.263 5.388 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.818 -7.522 4.350 1.00 20.00 C ATOM 447 OH TYR A 21 -19.577 -8.058 4.615 1.00 20.00 O ATOM 0 H TYR A 21 -27.076 -5.355 3.033 1.00 20.00 H new ATOM 0 HA TYR A 21 -25.129 -7.115 1.838 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.580 -4.960 2.959 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.170 -5.605 4.477 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.724 -6.514 1.771 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.608 -6.529 5.939 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.504 -7.456 2.238 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.393 -7.475 6.406 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.475 -8.186 5.581 1.00 20.00 H new ATOM 457 N ASN A 22 -27.061 -8.190 4.173 1.00 20.00 N ATOM 458 CA ASN A 22 -27.440 -9.360 4.960 1.00 20.00 C ATOM 459 C ASN A 22 -27.470 -10.608 4.085 1.00 20.00 C ATOM 460 O ASN A 22 -27.078 -11.689 4.518 1.00 20.00 O ATOM 461 CB ASN A 22 -28.803 -9.153 5.630 1.00 20.00 C ATOM 462 CG ASN A 22 -29.243 -10.363 6.433 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.934 -11.245 5.923 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.847 -10.417 7.695 1.00 20.00 N ATOM 0 H ASN A 22 -27.778 -7.466 4.123 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.691 -9.496 5.740 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.754 -8.284 6.286 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.550 -8.935 4.867 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.114 -11.209 8.280 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.275 -9.667 8.083 1.00 20.00 H new ATOM 471 N GLU A 23 -27.925 -10.446 2.845 1.00 20.00 N ATOM 472 CA GLU A 23 -27.938 -11.542 1.882 1.00 20.00 C ATOM 473 C GLU A 23 -26.527 -12.064 1.640 1.00 20.00 C ATOM 474 O GLU A 23 -26.316 -13.270 1.493 1.00 20.00 O ATOM 475 CB GLU A 23 -28.563 -11.095 0.559 1.00 20.00 C ATOM 476 CG GLU A 23 -30.084 -11.114 0.554 1.00 20.00 C ATOM 477 CD GLU A 23 -30.699 -10.302 1.669 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.392 -9.098 1.771 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.496 -10.868 2.450 1.00 20.00 O ATOM 0 H GLU A 23 -28.290 -9.565 2.484 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.543 -12.347 2.300 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.222 -10.085 0.331 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.199 -11.742 -0.239 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.441 -10.733 -0.403 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.427 -12.145 0.634 1.00 20.00 H new ATOM 486 N TRP A 24 -25.567 -11.150 1.612 1.00 20.00 N ATOM 487 CA TRP A 24 -24.171 -11.510 1.426 1.00 20.00 C ATOM 488 C TRP A 24 -23.674 -12.300 2.634 1.00 20.00 C ATOM 489 O TRP A 24 -23.010 -13.325 2.489 1.00 20.00 O ATOM 490 CB TRP A 24 -23.321 -10.252 1.209 1.00 20.00 C ATOM 491 CG TRP A 24 -21.886 -10.543 0.902 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.840 -10.523 1.778 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.338 -10.896 -0.372 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.676 -10.842 1.126 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.955 -11.075 -0.195 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.883 -11.079 -1.646 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.109 -11.427 -1.243 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.043 -11.428 -2.685 1.00 20.00 C ATOM 499 CH2 TRP A 24 -19.670 -11.600 -2.479 1.00 20.00 C ATOM 0 H TRP A 24 -25.732 -10.149 1.716 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.079 -12.137 0.539 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.748 -9.672 0.391 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.374 -9.630 2.102 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.917 -10.290 2.830 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.752 -10.897 1.555 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.942 -10.950 -1.815 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.049 -11.559 -1.086 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.453 -11.571 -3.674 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -19.040 -11.875 -3.312 1.00 20.00 H new ATOM 510 N LEU A 25 -24.026 -11.827 3.827 1.00 20.00 N ATOM 511 CA LEU A 25 -23.667 -12.513 5.061 1.00 20.00 C ATOM 512 C LEU A 25 -24.285 -13.906 5.097 1.00 20.00 C ATOM 513 O LEU A 25 -23.606 -14.886 5.389 1.00 20.00 O ATOM 514 CB LEU A 25 -24.132 -11.709 6.278 1.00 20.00 C ATOM 515 CG LEU A 25 -23.450 -10.354 6.471 1.00 20.00 C ATOM 516 CD1 LEU A 25 -24.096 -9.591 7.619 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.960 -10.535 6.731 1.00 20.00 C ATOM 0 H LEU A 25 -24.561 -10.969 3.963 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.581 -12.606 5.093 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.207 -11.547 6.196 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.968 -12.310 7.173 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.574 -9.776 5.555 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.598 -8.629 7.742 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -25.151 -9.428 7.399 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -24.002 -10.169 8.538 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.493 -9.559 6.866 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.818 -11.133 7.631 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.502 -11.043 5.882 1.00 20.00 H new ATOM 529 N ARG A 26 -25.572 -13.980 4.776 1.00 20.00 N ATOM 530 CA ARG A 26 -26.302 -15.244 4.763 1.00 20.00 C ATOM 531 C ARG A 26 -25.616 -16.267 3.863 1.00 20.00 C ATOM 532 O ARG A 26 -25.489 -17.438 4.224 1.00 20.00 O ATOM 533 CB ARG A 26 -27.741 -15.014 4.293 1.00 20.00 C ATOM 534 CG ARG A 26 -28.557 -16.292 4.161 1.00 20.00 C ATOM 535 CD ARG A 26 -29.947 -16.009 3.617 1.00 20.00 C ATOM 536 NE ARG A 26 -30.719 -17.232 3.424 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.930 -17.267 2.875 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.505 -16.150 2.448 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.567 -18.424 2.748 1.00 20.00 N ATOM 0 H ARG A 26 -26.137 -13.171 4.519 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.313 -15.639 5.779 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.240 -14.346 4.995 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.721 -14.506 3.329 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.041 -16.988 3.500 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.637 -16.776 5.134 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.478 -15.350 4.304 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.864 -15.479 2.668 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.305 -18.113 3.728 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.018 -15.258 2.540 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.434 -16.183 2.028 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.128 -19.286 3.071 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.496 -18.451 2.327 1.00 20.00 H new ATOM 553 N ALA A 27 -25.164 -15.813 2.700 1.00 20.00 N ATOM 554 CA ALA A 27 -24.478 -16.680 1.752 1.00 20.00 C ATOM 555 C ALA A 27 -23.176 -17.208 2.341 1.00 20.00 C ATOM 556 O ALA A 27 -22.805 -18.362 2.130 1.00 20.00 O ATOM 557 CB ALA A 27 -24.204 -15.933 0.458 1.00 20.00 C ATOM 0 H ALA A 27 -25.261 -14.846 2.391 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.126 -17.530 1.539 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.691 -16.593 -0.241 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.147 -15.604 0.021 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.577 -15.065 0.664 1.00 20.00 H new ATOM 563 N LYS A 28 -22.497 -16.363 3.099 1.00 20.00 N ATOM 564 CA LYS A 28 -21.223 -16.727 3.701 1.00 20.00 C ATOM 565 C LYS A 28 -21.435 -17.666 4.884 1.00 20.00 C ATOM 566 O LYS A 28 -20.632 -18.570 5.122 1.00 20.00 O ATOM 567 CB LYS A 28 -20.464 -15.475 4.144 1.00 20.00 C ATOM 568 CG LYS A 28 -20.122 -14.533 2.998 1.00 20.00 C ATOM 569 CD LYS A 28 -19.400 -13.291 3.492 1.00 20.00 C ATOM 570 CE LYS A 28 -18.035 -13.624 4.079 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.145 -14.267 3.077 1.00 20.00 N ATOM 0 H LYS A 28 -22.808 -15.415 3.313 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.627 -17.248 2.952 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.064 -14.938 4.879 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.543 -15.776 4.643 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.497 -15.054 2.272 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.036 -14.242 2.480 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.279 -12.589 2.667 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.008 -12.793 4.247 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.566 -12.712 4.449 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.159 -14.288 4.934 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.164 -14.248 3.421 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.442 -15.253 2.931 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.206 -13.750 2.176 1.00 20.00 H new ATOM 585 N VAL A 29 -22.526 -17.453 5.613 1.00 20.00 N ATOM 586 CA VAL A 29 -22.887 -18.315 6.734 1.00 20.00 C ATOM 587 C VAL A 29 -23.246 -19.710 6.234 1.00 20.00 C ATOM 588 O VAL A 29 -23.000 -20.714 6.908 1.00 20.00 O ATOM 589 CB VAL A 29 -24.075 -17.733 7.537 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.486 -18.667 8.667 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.725 -16.361 8.088 1.00 20.00 C ATOM 0 H VAL A 29 -23.179 -16.687 5.447 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.022 -18.374 7.395 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.921 -17.633 6.857 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.323 -18.231 9.213 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.785 -19.630 8.253 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -23.645 -18.810 9.345 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.572 -15.967 8.650 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.860 -16.443 8.746 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.491 -15.687 7.264 1.00 20.00 H new ATOM 601 N ALA A 30 -23.806 -19.764 5.031 1.00 20.00 N ATOM 602 CA ALA A 30 -24.177 -21.029 4.409 1.00 20.00 C ATOM 603 C ALA A 30 -22.940 -21.809 3.970 1.00 20.00 C ATOM 604 O ALA A 30 -23.043 -22.944 3.498 1.00 20.00 O ATOM 605 CB ALA A 30 -25.106 -20.790 3.226 1.00 20.00 C ATOM 0 H ALA A 30 -24.014 -18.942 4.465 1.00 20.00 H new ATOM 0 HA ALA A 30 -24.706 -21.627 5.151 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -25.373 -21.745 2.774 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -26.010 -20.286 3.569 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -24.602 -20.167 2.487 1.00 20.00 H new ATOM 611 N THR A 31 -21.776 -21.180 4.140 1.00 20.00 N ATOM 612 CA THR A 31 -20.486 -21.788 3.836 1.00 20.00 C ATOM 613 C THR A 31 -20.217 -21.816 2.329 1.00 20.00 C ATOM 614 O THR A 31 -21.053 -22.261 1.539 1.00 20.00 O ATOM 615 CB THR A 31 -20.386 -23.217 4.412 1.00 20.00 C ATOM 616 OG1 THR A 31 -20.786 -23.213 5.791 1.00 20.00 O ATOM 617 CG2 THR A 31 -18.970 -23.756 4.295 1.00 20.00 C ATOM 0 H THR A 31 -21.705 -20.227 4.496 1.00 20.00 H new ATOM 0 HA THR A 31 -19.726 -21.167 4.311 1.00 20.00 H new ATOM 0 HB THR A 31 -21.049 -23.863 3.837 1.00 20.00 H new ATOM 0 HG1 THR A 31 -20.723 -24.122 6.153 1.00 20.00 H new ATOM 0 HG21 THR A 31 -18.929 -24.764 4.708 1.00 20.00 H new ATOM 0 HG22 THR A 31 -18.676 -23.782 3.246 1.00 20.00 H new ATOM 0 HG23 THR A 31 -18.288 -23.109 4.847 1.00 20.00 H new ATOM 625 N SER A 32 -19.055 -21.315 1.938 1.00 20.00 N ATOM 626 CA SER A 32 -18.638 -21.349 0.545 1.00 20.00 C ATOM 627 C SER A 32 -18.220 -22.770 0.163 1.00 20.00 C ATOM 628 O SER A 32 -17.633 -23.485 0.979 1.00 20.00 O ATOM 629 CB SER A 32 -17.481 -20.370 0.336 1.00 20.00 C ATOM 630 OG SER A 32 -17.826 -19.079 0.817 1.00 20.00 O ATOM 0 H SER A 32 -18.382 -20.879 2.568 1.00 20.00 H new ATOM 0 HA SER A 32 -19.469 -21.052 -0.094 1.00 20.00 H new ATOM 0 HB2 SER A 32 -16.593 -20.732 0.854 1.00 20.00 H new ATOM 0 HB3 SER A 32 -17.231 -20.315 -0.724 1.00 20.00 H new ATOM 0 HG SER A 32 -17.074 -18.466 0.677 1.00 20.00 H new ATOM 636 N LEU A 33 -18.547 -23.173 -1.067 1.00 20.00 N ATOM 637 CA LEU A 33 -18.246 -24.517 -1.560 1.00 20.00 C ATOM 638 C LEU A 33 -16.751 -24.807 -1.493 1.00 20.00 C ATOM 639 O LEU A 33 -15.983 -24.374 -2.358 1.00 20.00 O ATOM 640 CB LEU A 33 -18.734 -24.683 -3.003 1.00 20.00 C ATOM 641 CG LEU A 33 -20.248 -24.573 -3.209 1.00 20.00 C ATOM 642 CD1 LEU A 33 -20.585 -24.603 -4.692 1.00 20.00 C ATOM 643 CD2 LEU A 33 -20.975 -25.692 -2.481 1.00 20.00 C ATOM 0 H LEU A 33 -19.025 -22.580 -1.745 1.00 20.00 H new ATOM 0 HA LEU A 33 -18.768 -25.227 -0.918 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -18.246 -23.929 -3.621 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -18.406 -25.656 -3.368 1.00 20.00 H new ATOM 0 HG LEU A 33 -20.580 -23.622 -2.793 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -21.664 -24.524 -4.822 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -20.097 -23.767 -5.193 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -20.235 -25.540 -5.126 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -22.049 -25.593 -2.642 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -20.638 -26.655 -2.865 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -20.761 -25.631 -1.414 1.00 20.00 H new ATOM 655 N ALA A 34 -16.358 -25.538 -0.460 1.00 20.00 N ATOM 656 CA ALA A 34 -14.970 -25.907 -0.237 1.00 20.00 C ATOM 657 C ALA A 34 -14.874 -26.878 0.931 1.00 20.00 C ATOM 658 O ALA A 34 -15.674 -26.812 1.867 1.00 20.00 O ATOM 659 CB ALA A 34 -14.121 -24.672 0.042 1.00 20.00 C ATOM 0 H ALA A 34 -16.998 -25.893 0.250 1.00 20.00 H new ATOM 0 HA ALA A 34 -14.591 -26.389 -1.138 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -13.086 -24.972 0.206 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -14.172 -23.995 -0.811 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -14.497 -24.165 0.931 1.00 20.00 H new ATOM 665 N ASP A 35 -13.907 -27.776 0.874 1.00 20.00 N ATOM 666 CA ASP A 35 -13.675 -28.719 1.959 1.00 20.00 C ATOM 667 C ASP A 35 -12.221 -28.636 2.404 1.00 20.00 C ATOM 668 O ASP A 35 -11.364 -29.342 1.879 1.00 20.00 O ATOM 669 CB ASP A 35 -14.018 -30.148 1.516 1.00 20.00 C ATOM 670 CG ASP A 35 -13.923 -31.154 2.649 1.00 20.00 C ATOM 671 OD1 ASP A 35 -14.714 -31.047 3.611 1.00 20.00 O ATOM 672 OD2 ASP A 35 -13.074 -32.072 2.581 1.00 20.00 O ATOM 0 H ASP A 35 -13.267 -27.874 0.086 1.00 20.00 H new ATOM 0 HA ASP A 35 -14.322 -28.460 2.797 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -15.028 -30.164 1.106 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -13.343 -30.447 0.714 1.00 20.00 H new ATOM 677 N PRO A 36 -11.920 -27.742 3.363 1.00 20.00 N ATOM 678 CA PRO A 36 -10.553 -27.526 3.849 1.00 20.00 C ATOM 679 C PRO A 36 -10.060 -28.690 4.702 1.00 20.00 C ATOM 680 O PRO A 36 -10.159 -28.674 5.932 1.00 20.00 O ATOM 681 CB PRO A 36 -10.669 -26.248 4.683 1.00 20.00 C ATOM 682 CG PRO A 36 -12.086 -26.223 5.144 1.00 20.00 C ATOM 683 CD PRO A 36 -12.895 -26.873 4.052 1.00 20.00 C ATOM 0 HA PRO A 36 -9.832 -27.447 3.035 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -9.979 -26.262 5.526 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -10.430 -25.365 4.090 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -12.199 -26.761 6.085 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -12.420 -25.200 5.320 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -13.727 -27.448 4.458 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -13.320 -26.133 3.374 1.00 20.00 H new ATOM 691 N ARG A 37 -9.529 -29.698 4.040 1.00 20.00 N ATOM 692 CA ARG A 37 -9.094 -30.910 4.708 1.00 20.00 C ATOM 693 C ARG A 37 -7.590 -31.097 4.552 1.00 20.00 C ATOM 694 O ARG A 37 -7.077 -31.110 3.434 1.00 20.00 O ATOM 695 CB ARG A 37 -9.826 -32.109 4.111 1.00 20.00 C ATOM 696 CG ARG A 37 -9.653 -33.389 4.903 1.00 20.00 C ATOM 697 CD ARG A 37 -10.215 -34.579 4.146 1.00 20.00 C ATOM 698 NE ARG A 37 -11.574 -34.335 3.655 1.00 20.00 N ATOM 699 CZ ARG A 37 -12.461 -35.298 3.425 1.00 20.00 C ATOM 700 NH1 ARG A 37 -12.156 -36.561 3.698 1.00 20.00 N ATOM 701 NH2 ARG A 37 -13.652 -34.994 2.928 1.00 20.00 N ATOM 0 H ARG A 37 -9.387 -29.702 3.030 1.00 20.00 H new ATOM 0 HA ARG A 37 -9.325 -30.829 5.770 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -10.889 -31.876 4.042 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -9.469 -32.271 3.094 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -8.595 -33.552 5.110 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -10.156 -33.296 5.866 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -9.563 -34.812 3.304 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -10.218 -35.453 4.798 1.00 20.00 H new ATOM 0 HE ARG A 37 -11.856 -33.370 3.480 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -11.241 -36.793 4.084 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -12.837 -37.300 3.521 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -13.886 -34.023 2.723 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -14.334 -35.731 2.751 1.00 20.00 H new ATOM 715 N PRO A 38 -6.861 -31.233 5.667 1.00 20.00 N ATOM 716 CA PRO A 38 -5.421 -31.481 5.634 1.00 20.00 C ATOM 717 C PRO A 38 -5.105 -32.928 5.257 1.00 20.00 C ATOM 718 O PRO A 38 -4.797 -33.753 6.122 1.00 20.00 O ATOM 719 CB PRO A 38 -4.977 -31.180 7.064 1.00 20.00 C ATOM 720 CG PRO A 38 -6.180 -31.450 7.904 1.00 20.00 C ATOM 721 CD PRO A 38 -7.381 -31.144 7.045 1.00 20.00 C ATOM 0 HA PRO A 38 -4.910 -30.873 4.888 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -4.139 -31.812 7.359 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -4.648 -30.146 7.166 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -6.196 -32.488 8.237 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -6.175 -30.828 8.799 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -8.187 -31.858 7.215 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -7.783 -30.153 7.258 1.00 20.00 H new ATOM 729 N ALA A 39 -5.200 -33.214 3.957 1.00 20.00 N ATOM 730 CA ALA A 39 -4.982 -34.555 3.407 1.00 20.00 C ATOM 731 C ALA A 39 -6.101 -35.509 3.818 1.00 20.00 C ATOM 732 O ALA A 39 -6.750 -35.325 4.848 1.00 20.00 O ATOM 733 CB ALA A 39 -3.619 -35.104 3.820 1.00 20.00 C ATOM 0 H ALA A 39 -5.432 -32.516 3.250 1.00 20.00 H new ATOM 0 HA ALA A 39 -4.995 -34.472 2.320 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -3.485 -36.100 3.398 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -2.834 -34.444 3.451 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -3.564 -35.160 4.907 1.00 20.00 H new ATOM 739 N ILE A 40 -6.342 -36.517 2.995 1.00 20.00 N ATOM 740 CA ILE A 40 -7.366 -37.505 3.295 1.00 20.00 C ATOM 741 C ILE A 40 -6.781 -38.669 4.085 1.00 20.00 C ATOM 742 O ILE A 40 -5.803 -39.287 3.667 1.00 20.00 O ATOM 743 CB ILE A 40 -8.067 -38.050 2.029 1.00 20.00 C ATOM 744 CG1 ILE A 40 -7.048 -38.495 0.977 1.00 20.00 C ATOM 745 CG2 ILE A 40 -9.012 -37.007 1.458 1.00 20.00 C ATOM 746 CD1 ILE A 40 -7.662 -39.266 -0.170 1.00 20.00 C ATOM 0 H ILE A 40 -5.845 -36.672 2.118 1.00 20.00 H new ATOM 0 HA ILE A 40 -8.116 -36.988 3.894 1.00 20.00 H new ATOM 0 HB ILE A 40 -8.649 -38.926 2.315 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -6.538 -37.616 0.582 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -6.290 -39.115 1.456 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -9.498 -37.405 0.567 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -9.768 -36.755 2.202 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -8.449 -36.111 1.195 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -6.882 -39.549 -0.877 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -8.148 -40.163 0.213 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -8.400 -38.642 -0.674 1.00 20.00 H new ATOM 758 N PRO A 41 -7.351 -38.950 5.261 1.00 20.00 N ATOM 759 CA PRO A 41 -6.958 -40.093 6.075 1.00 20.00 C ATOM 760 C PRO A 41 -7.659 -41.370 5.619 1.00 20.00 C ATOM 761 O PRO A 41 -8.798 -41.336 5.151 1.00 20.00 O ATOM 762 CB PRO A 41 -7.429 -39.685 7.473 1.00 20.00 C ATOM 763 CG PRO A 41 -8.631 -38.837 7.235 1.00 20.00 C ATOM 764 CD PRO A 41 -8.422 -38.162 5.900 1.00 20.00 C ATOM 0 HA PRO A 41 -5.892 -40.313 6.017 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -7.674 -40.558 8.079 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -6.655 -39.134 8.006 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -9.537 -39.442 7.226 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -8.749 -38.099 8.029 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -9.333 -38.170 5.302 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -8.130 -37.119 6.022 1.00 20.00 H new ATOM 772 N HIS A 42 -6.977 -42.499 5.767 1.00 20.00 N ATOM 773 CA HIS A 42 -7.522 -43.787 5.351 1.00 20.00 C ATOM 774 C HIS A 42 -8.706 -44.186 6.216 1.00 20.00 C ATOM 775 O HIS A 42 -9.493 -45.057 5.841 1.00 20.00 O ATOM 776 CB HIS A 42 -6.451 -44.878 5.416 1.00 20.00 C ATOM 777 CG HIS A 42 -5.451 -44.806 4.309 1.00 20.00 C ATOM 778 ND1 HIS A 42 -4.093 -44.926 4.505 1.00 20.00 N ATOM 779 CD2 HIS A 42 -5.622 -44.639 2.979 1.00 20.00 C ATOM 780 CE1 HIS A 42 -3.474 -44.833 3.345 1.00 20.00 C ATOM 781 NE2 HIS A 42 -4.380 -44.659 2.404 1.00 20.00 N ATOM 0 H HIS A 42 -6.043 -42.549 6.173 1.00 20.00 H new ATOM 0 HA HIS A 42 -7.860 -43.680 4.320 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -5.929 -44.806 6.370 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -6.937 -45.853 5.392 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -6.564 -44.513 2.465 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -2.406 -44.890 3.192 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -4.187 -44.556 1.408 1.00 20.00 H new ATOM 790 N ASP A 43 -8.832 -43.535 7.366 1.00 20.00 N ATOM 791 CA ASP A 43 -9.898 -43.844 8.308 1.00 20.00 C ATOM 792 C ASP A 43 -11.248 -43.388 7.769 1.00 20.00 C ATOM 793 O ASP A 43 -12.251 -44.086 7.925 1.00 20.00 O ATOM 794 CB ASP A 43 -9.637 -43.189 9.669 1.00 20.00 C ATOM 795 CG ASP A 43 -8.301 -43.583 10.266 1.00 20.00 C ATOM 796 OD1 ASP A 43 -8.166 -44.727 10.752 1.00 20.00 O ATOM 797 OD2 ASP A 43 -7.372 -42.748 10.252 1.00 20.00 O ATOM 0 H ASP A 43 -8.207 -42.788 7.668 1.00 20.00 H new ATOM 0 HA ASP A 43 -9.917 -44.926 8.438 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -9.674 -42.105 9.558 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -10.434 -43.467 10.359 1.00 20.00 H new ATOM 802 N GLU A 44 -11.276 -42.231 7.113 1.00 20.00 N ATOM 803 CA GLU A 44 -12.536 -41.696 6.605 1.00 20.00 C ATOM 804 C GLU A 44 -12.958 -42.449 5.352 1.00 20.00 C ATOM 805 O GLU A 44 -14.142 -42.504 5.017 1.00 20.00 O ATOM 806 CB GLU A 44 -12.456 -40.171 6.368 1.00 20.00 C ATOM 807 CG GLU A 44 -11.590 -39.714 5.197 1.00 20.00 C ATOM 808 CD GLU A 44 -12.304 -39.781 3.862 1.00 20.00 C ATOM 809 OE1 GLU A 44 -13.289 -39.034 3.672 1.00 20.00 O ATOM 810 OE2 GLU A 44 -11.881 -40.560 2.992 1.00 20.00 O ATOM 0 H GLU A 44 -10.456 -41.654 6.923 1.00 20.00 H new ATOM 0 HA GLU A 44 -13.304 -41.847 7.363 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -13.467 -39.795 6.213 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -12.078 -39.703 7.277 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -11.262 -38.690 5.375 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -10.694 -40.333 5.153 1.00 20.00 H new ATOM 817 N VAL A 45 -11.986 -43.052 4.679 1.00 20.00 N ATOM 818 CA VAL A 45 -12.265 -43.909 3.541 1.00 20.00 C ATOM 819 C VAL A 45 -13.030 -45.136 4.014 1.00 20.00 C ATOM 820 O VAL A 45 -14.040 -45.527 3.423 1.00 20.00 O ATOM 821 CB VAL A 45 -10.971 -44.356 2.829 1.00 20.00 C ATOM 822 CG1 VAL A 45 -11.294 -45.264 1.657 1.00 20.00 C ATOM 823 CG2 VAL A 45 -10.166 -43.153 2.364 1.00 20.00 C ATOM 0 H VAL A 45 -10.996 -42.961 4.905 1.00 20.00 H new ATOM 0 HA VAL A 45 -12.860 -43.339 2.827 1.00 20.00 H new ATOM 0 HB VAL A 45 -10.366 -44.915 3.543 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -10.369 -45.569 1.167 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -11.823 -46.147 2.016 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -11.922 -44.729 0.945 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -9.259 -43.493 1.865 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -10.763 -42.563 1.669 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -9.899 -42.539 3.224 1.00 20.00 H new ATOM 833 N GLU A 46 -12.546 -45.722 5.106 1.00 20.00 N ATOM 834 CA GLU A 46 -13.213 -46.859 5.728 1.00 20.00 C ATOM 835 C GLU A 46 -14.622 -46.472 6.160 1.00 20.00 C ATOM 836 O GLU A 46 -15.571 -47.222 5.955 1.00 20.00 O ATOM 837 CB GLU A 46 -12.428 -47.371 6.942 1.00 20.00 C ATOM 838 CG GLU A 46 -11.002 -47.791 6.627 1.00 20.00 C ATOM 839 CD GLU A 46 -10.294 -48.383 7.828 1.00 20.00 C ATOM 840 OE1 GLU A 46 -10.481 -49.589 8.098 1.00 20.00 O ATOM 841 OE2 GLU A 46 -9.556 -47.646 8.516 1.00 20.00 O ATOM 0 H GLU A 46 -11.692 -45.426 5.578 1.00 20.00 H new ATOM 0 HA GLU A 46 -13.264 -47.658 4.988 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -12.406 -46.590 7.702 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -12.959 -48.220 7.372 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -11.012 -48.522 5.818 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -10.443 -46.927 6.269 1.00 20.00 H new ATOM 848 N ARG A 47 -14.749 -45.283 6.733 1.00 20.00 N ATOM 849 CA ARG A 47 -16.035 -44.793 7.213 1.00 20.00 C ATOM 850 C ARG A 47 -17.022 -44.593 6.067 1.00 20.00 C ATOM 851 O ARG A 47 -18.201 -44.921 6.195 1.00 20.00 O ATOM 852 CB ARG A 47 -15.855 -43.482 7.984 1.00 20.00 C ATOM 853 CG ARG A 47 -15.100 -43.646 9.294 1.00 20.00 C ATOM 854 CD ARG A 47 -15.900 -44.456 10.304 1.00 20.00 C ATOM 855 NE ARG A 47 -17.125 -43.768 10.713 1.00 20.00 N ATOM 856 CZ ARG A 47 -18.184 -44.379 11.244 1.00 20.00 C ATOM 857 NH1 ARG A 47 -18.194 -45.698 11.395 1.00 20.00 N ATOM 858 NH2 ARG A 47 -19.238 -43.665 11.615 1.00 20.00 N ATOM 0 H ARG A 47 -13.973 -44.637 6.877 1.00 20.00 H new ATOM 0 HA ARG A 47 -16.445 -45.549 7.883 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -15.322 -42.770 7.354 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -16.836 -43.054 8.191 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -14.146 -44.138 9.106 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -14.875 -42.664 9.710 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -16.155 -45.424 9.872 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -15.284 -44.651 11.182 1.00 20.00 H new ATOM 0 HE ARG A 47 -17.171 -42.757 10.584 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -17.388 -46.251 11.104 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -19.008 -46.159 11.802 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -19.236 -42.652 11.494 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -20.050 -44.129 12.022 1.00 20.00 H new ATOM 872 N ARG A 48 -16.540 -44.063 4.949 1.00 20.00 N ATOM 873 CA ARG A 48 -17.401 -43.804 3.800 1.00 20.00 C ATOM 874 C ARG A 48 -17.883 -45.103 3.159 1.00 20.00 C ATOM 875 O ARG A 48 -19.054 -45.226 2.800 1.00 20.00 O ATOM 876 CB ARG A 48 -16.691 -42.936 2.759 1.00 20.00 C ATOM 877 CG ARG A 48 -16.634 -41.463 3.128 1.00 20.00 C ATOM 878 CD ARG A 48 -16.074 -40.624 1.989 1.00 20.00 C ATOM 879 NE ARG A 48 -14.639 -40.824 1.804 1.00 20.00 N ATOM 880 CZ ARG A 48 -14.056 -41.046 0.629 1.00 20.00 C ATOM 881 NH1 ARG A 48 -14.791 -41.190 -0.469 1.00 20.00 N ATOM 882 NH2 ARG A 48 -12.735 -41.130 0.559 1.00 20.00 N ATOM 0 H ARG A 48 -15.563 -43.805 4.813 1.00 20.00 H new ATOM 0 HA ARG A 48 -18.271 -43.261 4.168 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -15.675 -43.307 2.622 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -17.201 -43.042 1.802 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -17.634 -41.112 3.383 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -16.015 -41.333 4.016 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -16.595 -40.876 1.065 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -16.269 -39.570 2.188 1.00 20.00 H new ATOM 0 HE ARG A 48 -14.044 -40.791 2.632 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -15.808 -41.130 -0.414 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -14.338 -41.360 -1.367 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -12.172 -41.025 1.403 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -12.282 -41.300 -0.339 1.00 20.00 H new ATOM 896 N MET A 49 -16.987 -46.072 3.018 1.00 20.00 N ATOM 897 CA MET A 49 -17.370 -47.356 2.442 1.00 20.00 C ATOM 898 C MET A 49 -18.242 -48.144 3.416 1.00 20.00 C ATOM 899 O MET A 49 -19.147 -48.864 3.001 1.00 20.00 O ATOM 900 CB MET A 49 -16.143 -48.186 2.026 1.00 20.00 C ATOM 901 CG MET A 49 -15.209 -48.547 3.168 1.00 20.00 C ATOM 902 SD MET A 49 -13.974 -49.781 2.708 1.00 20.00 S ATOM 903 CE MET A 49 -13.153 -48.954 1.346 1.00 20.00 C ATOM 0 H MET A 49 -16.007 -45.997 3.289 1.00 20.00 H new ATOM 0 HA MET A 49 -17.947 -47.149 1.541 1.00 20.00 H new ATOM 0 HB2 MET A 49 -16.486 -49.105 1.550 1.00 20.00 H new ATOM 0 HB3 MET A 49 -15.581 -47.629 1.276 1.00 20.00 H new ATOM 0 HG2 MET A 49 -14.703 -47.646 3.514 1.00 20.00 H new ATOM 0 HG3 MET A 49 -15.797 -48.924 4.005 1.00 20.00 H new ATOM 0 HE1 MET A 49 -12.093 -49.206 1.353 1.00 20.00 H new ATOM 0 HE2 MET A 49 -13.596 -49.277 0.404 1.00 20.00 H new ATOM 0 HE3 MET A 49 -13.270 -47.875 1.451 1.00 20.00 H new ATOM 913 N ALA A 50 -17.987 -47.979 4.710 1.00 20.00 N ATOM 914 CA ALA A 50 -18.747 -48.674 5.743 1.00 20.00 C ATOM 915 C ALA A 50 -20.229 -48.336 5.663 1.00 20.00 C ATOM 916 O ALA A 50 -21.076 -49.229 5.612 1.00 20.00 O ATOM 917 CB ALA A 50 -18.209 -48.330 7.122 1.00 20.00 C ATOM 0 H ALA A 50 -17.255 -47.366 5.070 1.00 20.00 H new ATOM 0 HA ALA A 50 -18.633 -49.745 5.573 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -18.788 -48.857 7.880 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -17.163 -48.630 7.190 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -18.289 -47.255 7.286 1.00 20.00 H new ATOM 923 N GLU A 51 -20.534 -47.045 5.624 1.00 20.00 N ATOM 924 CA GLU A 51 -21.920 -46.593 5.573 1.00 20.00 C ATOM 925 C GLU A 51 -22.554 -46.938 4.229 1.00 20.00 C ATOM 926 O GLU A 51 -23.778 -46.983 4.101 1.00 20.00 O ATOM 927 CB GLU A 51 -22.018 -45.086 5.842 1.00 20.00 C ATOM 928 CG GLU A 51 -21.302 -44.218 4.819 1.00 20.00 C ATOM 929 CD GLU A 51 -21.498 -42.740 5.078 1.00 20.00 C ATOM 930 OE1 GLU A 51 -22.472 -42.164 4.553 1.00 20.00 O ATOM 931 OE2 GLU A 51 -20.684 -42.144 5.811 1.00 20.00 O ATOM 0 H GLU A 51 -19.844 -46.294 5.627 1.00 20.00 H new ATOM 0 HA GLU A 51 -22.470 -47.115 6.356 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -23.070 -44.802 5.869 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -21.606 -44.878 6.829 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -20.237 -44.448 4.833 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -21.667 -44.461 3.821 1.00 20.00 H new ATOM 938 N ARG A 52 -21.717 -47.184 3.232 1.00 20.00 N ATOM 939 CA ARG A 52 -22.191 -47.600 1.923 1.00 20.00 C ATOM 940 C ARG A 52 -22.610 -49.067 1.964 1.00 20.00 C ATOM 941 O ARG A 52 -23.641 -49.448 1.408 1.00 20.00 O ATOM 942 CB ARG A 52 -21.103 -47.379 0.871 1.00 20.00 C ATOM 943 CG ARG A 52 -21.547 -47.687 -0.547 1.00 20.00 C ATOM 944 CD ARG A 52 -20.422 -47.453 -1.537 1.00 20.00 C ATOM 945 NE ARG A 52 -20.842 -47.694 -2.914 1.00 20.00 N ATOM 946 CZ ARG A 52 -20.030 -47.606 -3.966 1.00 20.00 C ATOM 947 NH1 ARG A 52 -18.749 -47.308 -3.793 1.00 20.00 N ATOM 948 NH2 ARG A 52 -20.493 -47.834 -5.189 1.00 20.00 N ATOM 0 H ARG A 52 -20.703 -47.102 3.306 1.00 20.00 H new ATOM 0 HA ARG A 52 -23.058 -46.998 1.650 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -20.769 -46.342 0.920 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -20.243 -48.002 1.115 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -21.880 -48.723 -0.610 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -22.400 -47.061 -0.808 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -20.064 -46.428 -1.442 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -19.585 -48.107 -1.294 1.00 20.00 H new ATOM 0 HE ARG A 52 -21.816 -47.945 -3.081 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -18.385 -47.146 -2.854 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -18.128 -47.241 -4.599 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -21.474 -48.078 -5.326 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -19.868 -47.766 -5.992 1.00 20.00 H new ATOM 962 N PHE A 53 -21.814 -49.886 2.645 1.00 20.00 N ATOM 963 CA PHE A 53 -22.135 -51.298 2.814 1.00 20.00 C ATOM 964 C PHE A 53 -23.321 -51.459 3.754 1.00 20.00 C ATOM 965 O PHE A 53 -24.104 -52.401 3.637 1.00 20.00 O ATOM 966 CB PHE A 53 -20.935 -52.069 3.373 1.00 20.00 C ATOM 967 CG PHE A 53 -19.695 -51.998 2.524 1.00 20.00 C ATOM 968 CD1 PHE A 53 -19.776 -52.031 1.140 1.00 20.00 C ATOM 969 CD2 PHE A 53 -18.445 -51.894 3.115 1.00 20.00 C ATOM 970 CE1 PHE A 53 -18.634 -51.962 0.364 1.00 20.00 C ATOM 971 CE2 PHE A 53 -17.301 -51.824 2.344 1.00 20.00 C ATOM 972 CZ PHE A 53 -17.396 -51.858 0.967 1.00 20.00 C ATOM 0 H PHE A 53 -20.942 -49.596 3.088 1.00 20.00 H new ATOM 0 HA PHE A 53 -22.388 -51.704 1.835 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -20.702 -51.683 4.366 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -21.217 -53.115 3.495 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -20.742 -52.111 0.663 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -18.365 -51.867 4.192 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -18.710 -51.989 -0.713 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -16.334 -51.743 2.818 1.00 20.00 H new ATOM 0 HZ PHE A 53 -16.503 -51.803 0.362 1.00 20.00 H new ATOM 982 N ALA A 54 -23.453 -50.509 4.675 1.00 20.00 N ATOM 983 CA ALA A 54 -24.511 -50.532 5.680 1.00 20.00 C ATOM 984 C ALA A 54 -25.894 -50.490 5.040 1.00 20.00 C ATOM 985 O ALA A 54 -26.880 -50.899 5.646 1.00 20.00 O ATOM 986 CB ALA A 54 -24.340 -49.369 6.643 1.00 20.00 C ATOM 0 H ALA A 54 -22.831 -49.703 4.746 1.00 20.00 H new ATOM 0 HA ALA A 54 -24.430 -51.469 6.230 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -25.134 -49.395 7.389 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -23.373 -49.447 7.140 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -24.390 -48.430 6.092 1.00 20.00 H new ATOM 992 N LYS A 55 -25.957 -50.007 3.806 1.00 20.00 N ATOM 993 CA LYS A 55 -27.215 -49.928 3.077 1.00 20.00 C ATOM 994 C LYS A 55 -27.748 -51.321 2.762 1.00 20.00 C ATOM 995 O LYS A 55 -28.948 -51.509 2.567 1.00 20.00 O ATOM 996 CB LYS A 55 -27.030 -49.129 1.788 1.00 20.00 C ATOM 997 CG LYS A 55 -26.588 -47.693 2.027 1.00 20.00 C ATOM 998 CD LYS A 55 -27.668 -46.880 2.720 1.00 20.00 C ATOM 999 CE LYS A 55 -27.181 -45.479 3.054 1.00 20.00 C ATOM 1000 NZ LYS A 55 -26.103 -45.494 4.077 1.00 20.00 N ATOM 0 H LYS A 55 -25.148 -49.663 3.288 1.00 20.00 H new ATOM 0 HA LYS A 55 -27.943 -49.418 3.707 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -26.292 -49.629 1.162 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -27.968 -49.125 1.233 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -25.683 -47.687 2.634 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -26.336 -47.227 1.075 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -28.547 -46.818 2.078 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -27.977 -47.387 3.634 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -26.814 -44.997 2.148 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -28.017 -44.881 3.417 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -25.847 -44.517 4.326 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -26.438 -45.991 4.927 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -25.269 -45.984 3.695 1.00 20.00 H new ATOM 1014 N MET A 56 -26.850 -52.299 2.734 1.00 20.00 N ATOM 1015 CA MET A 56 -27.232 -53.681 2.478 1.00 20.00 C ATOM 1016 C MET A 56 -27.701 -54.346 3.770 1.00 20.00 C ATOM 1017 O MET A 56 -28.325 -55.409 3.750 1.00 20.00 O ATOM 1018 CB MET A 56 -26.055 -54.453 1.866 1.00 20.00 C ATOM 1019 CG MET A 56 -26.368 -55.906 1.535 1.00 20.00 C ATOM 1020 SD MET A 56 -24.981 -56.768 0.764 1.00 20.00 S ATOM 1021 CE MET A 56 -24.855 -55.888 -0.791 1.00 20.00 C ATOM 0 H MET A 56 -25.851 -52.159 2.886 1.00 20.00 H new ATOM 0 HA MET A 56 -28.057 -53.693 1.766 1.00 20.00 H new ATOM 0 HB2 MET A 56 -25.736 -53.945 0.956 1.00 20.00 H new ATOM 0 HB3 MET A 56 -25.215 -54.423 2.560 1.00 20.00 H new ATOM 0 HG2 MET A 56 -26.651 -56.428 2.449 1.00 20.00 H new ATOM 0 HG3 MET A 56 -27.229 -55.944 0.867 1.00 20.00 H new ATOM 0 HE1 MET A 56 -24.295 -56.491 -1.506 1.00 20.00 H new ATOM 0 HE2 MET A 56 -25.854 -55.695 -1.182 1.00 20.00 H new ATOM 0 HE3 MET A 56 -24.339 -54.941 -0.632 1.00 20.00 H new ATOM 1031 N ARG A 57 -27.414 -53.700 4.894 1.00 20.00 N ATOM 1032 CA ARG A 57 -27.813 -54.209 6.200 1.00 20.00 C ATOM 1033 C ARG A 57 -28.910 -53.323 6.797 1.00 20.00 C ATOM 1034 O ARG A 57 -29.345 -53.518 7.932 1.00 20.00 O ATOM 1035 CB ARG A 57 -26.595 -54.260 7.134 1.00 20.00 C ATOM 1036 CG ARG A 57 -26.871 -54.914 8.481 1.00 20.00 C ATOM 1037 CD ARG A 57 -25.673 -54.823 9.411 1.00 20.00 C ATOM 1038 NE ARG A 57 -25.973 -55.359 10.738 1.00 20.00 N ATOM 1039 CZ ARG A 57 -25.144 -55.278 11.779 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -23.969 -54.668 11.653 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -25.493 -55.808 12.946 1.00 20.00 N ATOM 0 H ARG A 57 -26.903 -52.818 4.926 1.00 20.00 H new ATOM 0 HA ARG A 57 -28.208 -55.218 6.085 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -25.792 -54.803 6.636 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -26.237 -53.244 7.302 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -27.731 -54.434 8.948 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -27.134 -55.961 8.329 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -24.835 -55.370 8.979 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -25.361 -53.782 9.501 1.00 20.00 H new ATOM 0 HE ARG A 57 -26.871 -55.823 10.876 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -23.699 -54.260 10.758 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -23.337 -54.608 12.452 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -26.394 -56.276 13.045 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -24.860 -55.747 13.744 1.00 20.00 H new ATOM 1055 N LYS A 58 -29.367 -52.355 6.013 1.00 20.00 N ATOM 1056 CA LYS A 58 -30.360 -51.392 6.484 1.00 20.00 C ATOM 1057 C LYS A 58 -31.736 -52.045 6.607 1.00 20.00 C ATOM 1058 O LYS A 58 -32.613 -51.543 7.314 1.00 20.00 O ATOM 1059 CB LYS A 58 -30.435 -50.198 5.529 1.00 20.00 C ATOM 1060 CG LYS A 58 -31.266 -49.041 6.062 1.00 20.00 C ATOM 1061 CD LYS A 58 -31.472 -47.967 5.006 1.00 20.00 C ATOM 1062 CE LYS A 58 -32.250 -46.785 5.563 1.00 20.00 C ATOM 1063 NZ LYS A 58 -32.605 -45.805 4.505 1.00 20.00 N ATOM 0 H LYS A 58 -29.067 -52.214 5.048 1.00 20.00 H new ATOM 0 HA LYS A 58 -30.053 -51.043 7.470 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -29.425 -49.844 5.324 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -30.856 -50.529 4.580 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -32.234 -49.412 6.398 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -30.772 -48.607 6.931 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -30.504 -47.627 4.637 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -32.007 -48.389 4.155 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -33.160 -47.144 6.045 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -31.656 -46.290 6.332 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -33.134 -45.015 4.927 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -31.737 -45.442 4.062 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -33.193 -46.270 3.784 1.00 20.00 H new ATOM 1077 N GLU A 59 -31.906 -53.170 5.916 1.00 20.00 N ATOM 1078 CA GLU A 59 -33.160 -53.921 5.921 1.00 20.00 C ATOM 1079 C GLU A 59 -34.300 -53.074 5.361 1.00 20.00 C ATOM 1080 O GLU A 59 -35.188 -52.627 6.091 1.00 20.00 O ATOM 1081 CB GLU A 59 -33.489 -54.427 7.330 1.00 20.00 C ATOM 1082 CG GLU A 59 -32.388 -55.288 7.933 1.00 20.00 C ATOM 1083 CD GLU A 59 -32.041 -56.487 7.073 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -31.146 -56.371 6.206 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -32.654 -57.555 7.264 1.00 20.00 O ATOM 0 H GLU A 59 -31.178 -53.587 5.336 1.00 20.00 H new ATOM 0 HA GLU A 59 -33.038 -54.790 5.275 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -33.671 -53.573 7.982 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -34.413 -55.004 7.295 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -31.495 -54.679 8.077 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -32.701 -55.632 8.919 1.00 20.00 H new ATOM 1092 N ARG A 60 -34.257 -52.859 4.052 1.00 20.00 N ATOM 1093 CA ARG A 60 -35.253 -52.047 3.362 1.00 20.00 C ATOM 1094 C ARG A 60 -36.606 -52.757 3.333 1.00 20.00 C ATOM 1095 O ARG A 60 -37.615 -52.208 3.776 1.00 20.00 O ATOM 1096 CB ARG A 60 -34.780 -51.748 1.935 1.00 20.00 C ATOM 1097 CG ARG A 60 -35.724 -50.858 1.141 1.00 20.00 C ATOM 1098 CD ARG A 60 -35.808 -49.456 1.724 1.00 20.00 C ATOM 1099 NE ARG A 60 -36.673 -48.588 0.926 1.00 20.00 N ATOM 1100 CZ ARG A 60 -36.724 -47.263 1.050 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -35.955 -46.641 1.936 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -37.544 -46.562 0.277 1.00 20.00 N ATOM 0 H ARG A 60 -33.535 -53.240 3.441 1.00 20.00 H new ATOM 0 HA ARG A 60 -35.374 -51.109 3.904 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -33.801 -51.271 1.981 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -34.651 -52.690 1.402 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -35.385 -50.801 0.107 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -36.718 -51.305 1.127 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -36.187 -49.509 2.744 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -34.809 -49.024 1.777 1.00 20.00 H new ATOM 0 HE ARG A 60 -37.276 -49.026 0.230 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -35.320 -47.178 2.527 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -35.999 -45.626 2.026 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -38.131 -47.038 -0.408 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -37.587 -45.547 0.368 1.00 20.00 H new ATOM 1116 N SER A 61 -36.612 -53.980 2.826 1.00 20.00 N ATOM 1117 CA SER A 61 -37.828 -54.778 2.742 1.00 20.00 C ATOM 1118 C SER A 61 -37.481 -56.230 2.424 1.00 20.00 C ATOM 1119 O SER A 61 -37.936 -57.155 3.103 1.00 20.00 O ATOM 1120 CB SER A 61 -38.783 -54.196 1.690 1.00 20.00 C ATOM 1121 OG SER A 61 -38.114 -53.951 0.461 1.00 20.00 O ATOM 0 H SER A 61 -35.781 -54.446 2.463 1.00 20.00 H new ATOM 0 HA SER A 61 -38.336 -54.750 3.706 1.00 20.00 H new ATOM 0 HB2 SER A 61 -39.609 -54.887 1.525 1.00 20.00 H new ATOM 0 HB3 SER A 61 -39.214 -53.267 2.063 1.00 20.00 H new ATOM 0 HG SER A 61 -38.748 -53.583 -0.189 1.00 20.00 H new ATOM 1127 N LYS A 62 -36.659 -56.421 1.401 1.00 20.00 N ATOM 1128 CA LYS A 62 -36.156 -57.739 1.049 1.00 20.00 C ATOM 1129 C LYS A 62 -34.877 -57.598 0.231 1.00 20.00 C ATOM 1130 O LYS A 62 -34.888 -57.703 -0.997 1.00 20.00 O ATOM 1131 CB LYS A 62 -37.212 -58.542 0.275 1.00 20.00 C ATOM 1132 CG LYS A 62 -36.806 -59.979 -0.053 1.00 20.00 C ATOM 1133 CD LYS A 62 -37.077 -60.956 1.094 1.00 20.00 C ATOM 1134 CE LYS A 62 -36.164 -60.733 2.293 1.00 20.00 C ATOM 1135 NZ LYS A 62 -36.277 -61.830 3.289 1.00 20.00 N ATOM 0 H LYS A 62 -36.325 -55.671 0.796 1.00 20.00 H new ATOM 0 HA LYS A 62 -35.933 -58.285 1.965 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -38.133 -58.563 0.858 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -37.436 -58.020 -0.656 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -37.347 -60.310 -0.940 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -35.745 -60.003 -0.300 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -38.115 -60.857 1.411 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -36.950 -61.976 0.733 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -35.131 -60.657 1.953 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -36.414 -59.784 2.768 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -35.640 -61.640 4.089 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -37.257 -61.887 3.633 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -36.013 -62.732 2.843 1.00 20.00 H new ATOM 1149 N GLN A 63 -33.785 -57.334 0.925 1.00 20.00 N ATOM 1150 CA GLN A 63 -32.485 -57.178 0.296 1.00 20.00 C ATOM 1151 C GLN A 63 -31.541 -58.265 0.790 1.00 20.00 C ATOM 1152 O GLN A 63 -31.196 -59.165 -0.004 1.00 20.00 O ATOM 1153 CB GLN A 63 -31.910 -55.794 0.603 1.00 20.00 C ATOM 1154 CG GLN A 63 -30.527 -55.556 0.020 1.00 20.00 C ATOM 1155 CD GLN A 63 -29.971 -54.186 0.364 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -29.190 -53.609 -0.393 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -30.363 -53.656 1.510 1.00 20.00 N ATOM 1158 OXT GLN A 63 -31.179 -58.242 1.986 1.00 20.00 O ATOM 0 H GLN A 63 -33.773 -57.222 1.939 1.00 20.00 H new ATOM 0 HA GLN A 63 -32.599 -57.272 -0.784 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -32.591 -55.035 0.217 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -31.865 -55.662 1.684 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -29.846 -56.323 0.389 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -30.571 -55.663 -1.064 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -31.011 -54.164 2.111 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -30.017 -52.739 1.793 1.00 20.00 H new TER 1167 GLN A 63