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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.0116 X(o=0.012,f=0) USER MOD Single : A 6 SER OG : rot 34:sc= 1.43 USER MOD Single : A 8 MET CE :methyl -157:sc= -0.128 (180deg=-0.639) USER MOD Single : A -4 LYS NZ :NH3+ -160:sc= 1.23 (180deg=0.975) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 163:sc= -0.107 (180deg=-0.487) USER MOD Single : A -7 MET N :NH3+ -165:sc= 0.952 (180deg=0.788) USER MOD Single : A 10 SER OG : rot -67:sc= 0.276 USER MOD Single : A 14 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.927 K(o=0.93,f=-1.8!) USER MOD Single : A 20 SER OG : rot -18:sc= 1.19 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00212 X(o=-0.0021,f=-0.27) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0307 (180deg=-0.226) 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= -0.0886 X(o=-0.089,f=-0.0044) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -168:sc= -0.02 (180deg=-0.287) USER MOD Single : A 58 LYS NZ :NH3+ 172:sc=-0.00311 (180deg=-0.105) 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= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -24.935 -22.467 25.946 1.00 20.00 N ATOM 2 CA MET A -7 -23.535 -22.088 26.238 1.00 20.00 C ATOM 3 C MET A -7 -22.720 -21.989 24.951 1.00 20.00 C ATOM 4 O MET A -7 -21.632 -22.559 24.850 1.00 20.00 O ATOM 5 CB MET A -7 -22.899 -23.110 27.186 1.00 20.00 C ATOM 6 CG MET A -7 -23.487 -23.092 28.588 1.00 20.00 C ATOM 7 SD MET A -7 -22.839 -24.412 29.636 1.00 20.00 S ATOM 8 CE MET A -7 -21.091 -24.018 29.636 1.00 20.00 C ATOM 0 H1 MET A -7 -25.526 -22.284 26.782 1.00 20.00 H new ATOM 0 H2 MET A -7 -25.287 -21.906 25.144 1.00 20.00 H new ATOM 0 H3 MET A -7 -24.978 -23.478 25.706 1.00 20.00 H new ATOM 0 HA MET A -7 -23.538 -21.110 26.719 1.00 20.00 H new ATOM 0 HB2 MET A -7 -23.019 -24.108 26.764 1.00 20.00 H new ATOM 0 HB3 MET A -7 -21.828 -22.917 27.248 1.00 20.00 H new ATOM 0 HG2 MET A -7 -23.276 -22.129 29.053 1.00 20.00 H new ATOM 0 HG3 MET A -7 -24.571 -23.185 28.524 1.00 20.00 H new ATOM 0 HE1 MET A -7 -20.601 -24.538 30.459 1.00 20.00 H new ATOM 0 HE2 MET A -7 -20.647 -24.333 28.692 1.00 20.00 H new ATOM 0 HE3 MET A -7 -20.960 -22.943 29.757 1.00 20.00 H new ATOM 20 N ASP A -6 -23.244 -21.267 23.969 1.00 20.00 N ATOM 21 CA ASP A -6 -22.561 -21.109 22.688 1.00 20.00 C ATOM 22 C ASP A -6 -22.606 -19.659 22.235 1.00 20.00 C ATOM 23 O ASP A -6 -23.458 -18.885 22.676 1.00 20.00 O ATOM 24 CB ASP A -6 -23.195 -21.997 21.610 1.00 20.00 C ATOM 25 CG ASP A -6 -22.857 -23.465 21.765 1.00 20.00 C ATOM 26 OD1 ASP A -6 -23.561 -24.167 22.517 1.00 20.00 O ATOM 27 OD2 ASP A -6 -21.897 -23.932 21.118 1.00 20.00 O ATOM 0 H ASP A -6 -24.139 -20.781 24.033 1.00 20.00 H new ATOM 0 HA ASP A -6 -21.524 -21.413 22.829 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -24.278 -21.876 21.641 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -22.864 -21.657 20.629 1.00 20.00 H new ATOM 32 N TYR A -5 -21.682 -19.302 21.345 1.00 20.00 N ATOM 33 CA TYR A -5 -21.593 -17.941 20.822 1.00 20.00 C ATOM 34 C TYR A -5 -22.627 -17.733 19.726 1.00 20.00 C ATOM 35 O TYR A -5 -22.973 -16.606 19.382 1.00 20.00 O ATOM 36 CB TYR A -5 -20.188 -17.660 20.275 1.00 20.00 C ATOM 37 CG TYR A -5 -19.083 -17.896 21.282 1.00 20.00 C ATOM 38 CD1 TYR A -5 -18.656 -16.880 22.128 1.00 20.00 C ATOM 39 CD2 TYR A -5 -18.470 -19.137 21.387 1.00 20.00 C ATOM 40 CE1 TYR A -5 -17.649 -17.096 23.050 1.00 20.00 C ATOM 41 CE2 TYR A -5 -17.463 -19.361 22.306 1.00 20.00 C ATOM 42 CZ TYR A -5 -17.057 -18.338 23.135 1.00 20.00 C ATOM 43 OH TYR A -5 -16.055 -18.561 24.055 1.00 20.00 O ATOM 0 H TYR A -5 -20.981 -19.941 20.970 1.00 20.00 H new ATOM 0 HA TYR A -5 -21.792 -17.247 21.638 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -20.014 -18.292 19.404 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -20.141 -16.626 19.933 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -19.118 -15.906 22.064 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -18.786 -19.941 20.739 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -17.328 -16.296 23.700 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -16.997 -20.333 22.374 1.00 20.00 H new ATOM 0 HH TYR A -5 -15.747 -19.489 23.985 1.00 20.00 H new ATOM 53 N LYS A -4 -23.105 -18.839 19.182 1.00 20.00 N ATOM 54 CA LYS A -4 -24.171 -18.827 18.191 1.00 20.00 C ATOM 55 C LYS A -4 -24.962 -20.121 18.305 1.00 20.00 C ATOM 56 O LYS A -4 -24.379 -21.184 18.542 1.00 20.00 O ATOM 57 CB LYS A -4 -23.611 -18.658 16.769 1.00 20.00 C ATOM 58 CG LYS A -4 -22.789 -19.844 16.271 1.00 20.00 C ATOM 59 CD LYS A -4 -22.193 -19.585 14.894 1.00 20.00 C ATOM 60 CE LYS A -4 -23.264 -19.359 13.832 1.00 20.00 C ATOM 61 NZ LYS A -4 -24.139 -20.548 13.645 1.00 20.00 N ATOM 0 H LYS A -4 -22.766 -19.772 19.414 1.00 20.00 H new ATOM 0 HA LYS A -4 -24.825 -17.977 18.383 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -24.441 -18.492 16.082 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -22.990 -17.763 16.740 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -21.988 -20.053 16.980 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -23.420 -20.732 16.232 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -21.541 -18.712 14.941 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -21.571 -20.432 14.605 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -23.876 -18.502 14.114 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -22.785 -19.111 12.885 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -24.611 -20.490 12.720 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -23.563 -21.413 13.686 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -24.856 -20.573 14.398 1.00 20.00 H new ATOM 75 N ASP A -3 -26.281 -20.024 18.157 1.00 20.00 N ATOM 76 CA ASP A -3 -27.166 -21.178 18.312 1.00 20.00 C ATOM 77 C ASP A -3 -27.014 -21.759 19.711 1.00 20.00 C ATOM 78 O ASP A -3 -26.668 -22.929 19.883 1.00 20.00 O ATOM 79 CB ASP A -3 -26.876 -22.245 17.252 1.00 20.00 C ATOM 80 CG ASP A -3 -27.183 -21.772 15.849 1.00 20.00 C ATOM 81 OD1 ASP A -3 -28.366 -21.816 15.444 1.00 20.00 O ATOM 82 OD2 ASP A -3 -26.243 -21.363 15.136 1.00 20.00 O ATOM 0 H ASP A -3 -26.763 -19.155 17.929 1.00 20.00 H new ATOM 0 HA ASP A -3 -28.195 -20.845 18.173 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -25.827 -22.535 17.312 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -27.466 -23.136 17.468 1.00 20.00 H new ATOM 87 N ASP A -2 -27.272 -20.916 20.703 1.00 20.00 N ATOM 88 CA ASP A -2 -27.043 -21.251 22.107 1.00 20.00 C ATOM 89 C ASP A -2 -27.873 -22.445 22.560 1.00 20.00 C ATOM 90 O ASP A -2 -27.363 -23.352 23.224 1.00 20.00 O ATOM 91 CB ASP A -2 -27.361 -20.045 22.990 1.00 20.00 C ATOM 92 CG ASP A -2 -26.996 -20.280 24.438 1.00 20.00 C ATOM 93 OD1 ASP A -2 -25.788 -20.328 24.745 1.00 20.00 O ATOM 94 OD2 ASP A -2 -27.909 -20.418 25.278 1.00 20.00 O ATOM 0 H ASP A -2 -27.647 -19.978 20.559 1.00 20.00 H new ATOM 0 HA ASP A -2 -25.992 -21.522 22.206 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -26.821 -19.174 22.619 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -28.424 -19.816 22.919 1.00 20.00 H new ATOM 99 N ASP A -1 -29.146 -22.440 22.202 1.00 20.00 N ATOM 100 CA ASP A -1 -30.059 -23.495 22.625 1.00 20.00 C ATOM 101 C ASP A -1 -29.856 -24.753 21.791 1.00 20.00 C ATOM 102 O ASP A -1 -29.664 -24.681 20.575 1.00 20.00 O ATOM 103 CB ASP A -1 -31.514 -23.038 22.514 1.00 20.00 C ATOM 104 CG ASP A -1 -31.810 -21.799 23.333 1.00 20.00 C ATOM 105 OD1 ASP A -1 -31.758 -21.871 24.574 1.00 20.00 O ATOM 106 OD2 ASP A -1 -32.103 -20.742 22.732 1.00 20.00 O ATOM 0 H ASP A -1 -29.573 -21.719 21.620 1.00 20.00 H new ATOM 0 HA ASP A -1 -29.839 -23.720 23.669 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -31.748 -22.840 21.468 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -32.169 -23.847 22.839 1.00 20.00 H new ATOM 111 N ASP A 0 -29.913 -25.905 22.447 1.00 20.00 N ATOM 112 CA ASP A 0 -29.696 -27.186 21.776 1.00 20.00 C ATOM 113 C ASP A 0 -30.987 -27.693 21.144 1.00 20.00 C ATOM 114 O ASP A 0 -30.984 -28.676 20.403 1.00 20.00 O ATOM 115 CB ASP A 0 -29.160 -28.229 22.765 1.00 20.00 C ATOM 116 CG ASP A 0 -30.232 -28.774 23.690 1.00 20.00 C ATOM 117 OD1 ASP A 0 -30.538 -28.121 24.712 1.00 20.00 O ATOM 118 OD2 ASP A 0 -30.770 -29.866 23.408 1.00 20.00 O ATOM 0 H ASP A 0 -30.108 -25.981 23.445 1.00 20.00 H new ATOM 0 HA ASP A 0 -28.958 -27.030 20.989 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -28.714 -29.054 22.209 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -28.366 -27.781 23.362 1.00 20.00 H new ATOM 123 N LYS A 1 -32.088 -27.010 21.442 1.00 20.00 N ATOM 124 CA LYS A 1 -33.403 -27.379 20.915 1.00 20.00 C ATOM 125 C LYS A 1 -33.466 -27.185 19.402 1.00 20.00 C ATOM 126 O LYS A 1 -34.389 -27.682 18.754 1.00 20.00 O ATOM 127 CB LYS A 1 -34.504 -26.555 21.603 1.00 20.00 C ATOM 128 CG LYS A 1 -34.412 -25.054 21.356 1.00 20.00 C ATOM 129 CD LYS A 1 -35.384 -24.286 22.238 1.00 20.00 C ATOM 130 CE LYS A 1 -35.249 -22.783 22.045 1.00 20.00 C ATOM 131 NZ LYS A 1 -36.115 -22.021 22.983 1.00 20.00 N ATOM 0 H LYS A 1 -32.098 -26.191 22.050 1.00 20.00 H new ATOM 0 HA LYS A 1 -33.566 -28.436 21.127 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -35.475 -26.909 21.258 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -34.461 -26.738 22.677 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -33.395 -24.713 21.550 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -34.624 -24.842 20.308 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -36.404 -24.593 22.008 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -35.203 -24.537 23.283 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -34.209 -22.490 22.193 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -35.510 -22.524 21.019 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -35.993 -21.001 22.818 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -37.110 -22.280 22.826 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -35.849 -22.247 23.963 1.00 20.00 H new ATOM 145 N ASN A 2 -32.489 -26.464 18.858 1.00 20.00 N ATOM 146 CA ASN A 2 -32.307 -26.330 17.409 1.00 20.00 C ATOM 147 C ASN A 2 -33.587 -25.866 16.719 1.00 20.00 C ATOM 148 O ASN A 2 -34.344 -26.673 16.165 1.00 20.00 O ATOM 149 CB ASN A 2 -31.824 -27.657 16.803 1.00 20.00 C ATOM 150 CG ASN A 2 -31.402 -27.525 15.348 1.00 20.00 C ATOM 151 OD1 ASN A 2 -30.253 -27.197 15.050 1.00 20.00 O ATOM 152 ND2 ASN A 2 -32.317 -27.800 14.431 1.00 20.00 N ATOM 0 H ASN A 2 -31.798 -25.954 19.408 1.00 20.00 H new ATOM 0 HA ASN A 2 -31.547 -25.567 17.243 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -30.984 -28.033 17.387 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -32.621 -28.397 16.879 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -32.080 -27.743 13.441 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -33.259 -28.068 14.715 1.00 20.00 H new ATOM 159 N ARG A 3 -33.828 -24.566 16.765 1.00 20.00 N ATOM 160 CA ARG A 3 -34.975 -23.974 16.100 1.00 20.00 C ATOM 161 C ARG A 3 -34.614 -23.635 14.660 1.00 20.00 C ATOM 162 O ARG A 3 -34.148 -22.531 14.367 1.00 20.00 O ATOM 163 CB ARG A 3 -35.438 -22.716 16.844 1.00 20.00 C ATOM 164 CG ARG A 3 -35.898 -22.980 18.271 1.00 20.00 C ATOM 165 CD ARG A 3 -37.079 -23.938 18.313 1.00 20.00 C ATOM 166 NE ARG A 3 -38.250 -23.389 17.634 1.00 20.00 N ATOM 167 CZ ARG A 3 -39.020 -24.074 16.790 1.00 20.00 C ATOM 168 NH1 ARG A 3 -38.759 -25.348 16.522 1.00 20.00 N ATOM 169 NH2 ARG A 3 -40.061 -23.482 16.219 1.00 20.00 N ATOM 0 H ARG A 3 -33.239 -23.897 17.260 1.00 20.00 H new ATOM 0 HA ARG A 3 -35.795 -24.692 16.103 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -34.621 -21.995 16.863 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -36.255 -22.257 16.288 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -35.072 -23.395 18.849 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -36.176 -22.038 18.744 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -36.798 -24.882 17.846 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -37.331 -24.158 19.350 1.00 20.00 H new ATOM 0 HE ARG A 3 -38.494 -22.416 17.818 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -37.964 -25.810 16.964 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -39.354 -25.865 15.875 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -40.270 -22.505 16.427 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -40.653 -24.003 15.572 1.00 20.00 H new ATOM 183 N ALA A 4 -34.823 -24.594 13.769 1.00 20.00 N ATOM 184 CA ALA A 4 -34.486 -24.426 12.363 1.00 20.00 C ATOM 185 C ALA A 4 -35.574 -23.644 11.632 1.00 20.00 C ATOM 186 O ALA A 4 -36.207 -24.150 10.701 1.00 20.00 O ATOM 187 CB ALA A 4 -34.266 -25.785 11.712 1.00 20.00 C ATOM 0 H ALA A 4 -35.227 -25.502 13.997 1.00 20.00 H new ATOM 0 HA ALA A 4 -33.561 -23.853 12.294 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -34.014 -25.648 10.660 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -33.450 -26.302 12.216 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -35.176 -26.379 11.793 1.00 20.00 H new ATOM 193 N LEU A 5 -35.787 -22.411 12.066 1.00 20.00 N ATOM 194 CA LEU A 5 -36.777 -21.540 11.452 1.00 20.00 C ATOM 195 C LEU A 5 -36.299 -21.103 10.075 1.00 20.00 C ATOM 196 O LEU A 5 -35.152 -20.684 9.911 1.00 20.00 O ATOM 197 CB LEU A 5 -37.022 -20.311 12.337 1.00 20.00 C ATOM 198 CG LEU A 5 -37.511 -20.610 13.758 1.00 20.00 C ATOM 199 CD1 LEU A 5 -37.576 -19.330 14.576 1.00 20.00 C ATOM 200 CD2 LEU A 5 -38.875 -21.287 13.729 1.00 20.00 C ATOM 0 H LEU A 5 -35.284 -21.989 12.846 1.00 20.00 H new ATOM 0 HA LEU A 5 -37.713 -22.089 11.347 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -36.095 -19.741 12.403 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -37.755 -19.671 11.846 1.00 20.00 H new ATOM 0 HG LEU A 5 -36.800 -21.290 14.227 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -37.925 -19.559 15.583 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -36.584 -18.881 14.629 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -38.266 -18.631 14.103 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -39.202 -21.490 14.749 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -39.596 -20.632 13.240 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -38.804 -22.224 13.177 1.00 20.00 H new ATOM 212 N SER A 6 -37.171 -21.214 9.087 1.00 20.00 N ATOM 213 CA SER A 6 -36.831 -20.831 7.730 1.00 20.00 C ATOM 214 C SER A 6 -37.713 -19.670 7.273 1.00 20.00 C ATOM 215 O SER A 6 -38.761 -19.877 6.662 1.00 20.00 O ATOM 216 CB SER A 6 -36.989 -22.034 6.790 1.00 20.00 C ATOM 217 OG SER A 6 -36.499 -21.743 5.491 1.00 20.00 O ATOM 0 H SER A 6 -38.121 -21.567 9.201 1.00 20.00 H new ATOM 0 HA SER A 6 -35.792 -20.504 7.703 1.00 20.00 H new ATOM 0 HB2 SER A 6 -36.453 -22.890 7.199 1.00 20.00 H new ATOM 0 HB3 SER A 6 -38.040 -22.315 6.730 1.00 20.00 H new ATOM 0 HG SER A 6 -35.731 -21.138 5.559 1.00 20.00 H new ATOM 223 N PRO A 7 -37.306 -18.427 7.575 1.00 20.00 N ATOM 224 CA PRO A 7 -38.061 -17.242 7.174 1.00 20.00 C ATOM 225 C PRO A 7 -37.855 -16.914 5.701 1.00 20.00 C ATOM 226 O PRO A 7 -38.659 -16.213 5.085 1.00 20.00 O ATOM 227 CB PRO A 7 -37.485 -16.140 8.063 1.00 20.00 C ATOM 228 CG PRO A 7 -36.087 -16.573 8.353 1.00 20.00 C ATOM 229 CD PRO A 7 -36.092 -18.081 8.339 1.00 20.00 C ATOM 0 HA PRO A 7 -39.137 -17.373 7.290 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -37.503 -15.175 7.557 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -38.063 -16.030 8.981 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -35.397 -16.181 7.606 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -35.757 -16.195 9.321 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -35.195 -18.479 7.864 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -36.126 -18.489 9.349 1.00 20.00 H new ATOM 237 N MET A 8 -36.789 -17.466 5.127 1.00 20.00 N ATOM 238 CA MET A 8 -36.445 -17.207 3.736 1.00 20.00 C ATOM 239 C MET A 8 -37.378 -17.952 2.790 1.00 20.00 C ATOM 240 O MET A 8 -37.271 -17.818 1.575 1.00 20.00 O ATOM 241 CB MET A 8 -34.986 -17.582 3.438 1.00 20.00 C ATOM 242 CG MET A 8 -34.650 -19.049 3.671 1.00 20.00 C ATOM 243 SD MET A 8 -34.510 -19.469 5.421 1.00 20.00 S ATOM 244 CE MET A 8 -33.034 -18.559 5.876 1.00 20.00 C ATOM 0 H MET A 8 -36.148 -18.097 5.608 1.00 20.00 H new ATOM 0 HA MET A 8 -36.564 -16.136 3.571 1.00 20.00 H new ATOM 0 HB2 MET A 8 -34.765 -17.332 2.400 1.00 20.00 H new ATOM 0 HB3 MET A 8 -34.333 -16.970 4.060 1.00 20.00 H new ATOM 0 HG2 MET A 8 -35.421 -19.670 3.214 1.00 20.00 H new ATOM 0 HG3 MET A 8 -33.711 -19.286 3.170 1.00 20.00 H new ATOM 0 HE1 MET A 8 -32.586 -19.011 6.761 1.00 20.00 H new ATOM 0 HE2 MET A 8 -32.320 -18.589 5.053 1.00 20.00 H new ATOM 0 HE3 MET A 8 -33.297 -17.523 6.091 1.00 20.00 H new ATOM 254 N VAL A 9 -38.296 -18.734 3.353 1.00 20.00 N ATOM 255 CA VAL A 9 -39.317 -19.407 2.558 1.00 20.00 C ATOM 256 C VAL A 9 -40.157 -18.371 1.810 1.00 20.00 C ATOM 257 O VAL A 9 -40.687 -18.633 0.730 1.00 20.00 O ATOM 258 CB VAL A 9 -40.233 -20.292 3.441 1.00 20.00 C ATOM 259 CG1 VAL A 9 -41.001 -19.453 4.454 1.00 20.00 C ATOM 260 CG2 VAL A 9 -41.192 -21.108 2.585 1.00 20.00 C ATOM 0 H VAL A 9 -38.353 -18.916 4.355 1.00 20.00 H new ATOM 0 HA VAL A 9 -38.813 -20.057 1.842 1.00 20.00 H new ATOM 0 HB VAL A 9 -39.593 -20.982 3.991 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -41.635 -20.102 5.058 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -40.297 -18.929 5.100 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -41.622 -18.727 3.929 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -41.823 -21.720 3.229 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -41.817 -20.436 1.997 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -40.623 -21.753 1.915 1.00 20.00 H new ATOM 270 N SER A 10 -40.248 -17.186 2.393 1.00 20.00 N ATOM 271 CA SER A 10 -40.937 -16.073 1.778 1.00 20.00 C ATOM 272 C SER A 10 -40.369 -14.770 2.324 1.00 20.00 C ATOM 273 O SER A 10 -41.011 -14.071 3.108 1.00 20.00 O ATOM 274 CB SER A 10 -42.441 -16.162 2.042 1.00 20.00 C ATOM 275 OG SER A 10 -43.148 -15.173 1.315 1.00 20.00 O ATOM 0 H SER A 10 -39.845 -16.973 3.306 1.00 20.00 H new ATOM 0 HA SER A 10 -40.786 -16.105 0.699 1.00 20.00 H new ATOM 0 HB2 SER A 10 -42.804 -17.151 1.763 1.00 20.00 H new ATOM 0 HB3 SER A 10 -42.634 -16.041 3.108 1.00 20.00 H new ATOM 0 HG SER A 10 -42.920 -14.286 1.663 1.00 20.00 H new ATOM 281 N GLU A 11 -39.149 -14.460 1.912 1.00 20.00 N ATOM 282 CA GLU A 11 -38.438 -13.308 2.433 1.00 20.00 C ATOM 283 C GLU A 11 -39.014 -12.002 1.888 1.00 20.00 C ATOM 284 O GLU A 11 -39.151 -11.823 0.676 1.00 20.00 O ATOM 285 CB GLU A 11 -36.942 -13.417 2.113 1.00 20.00 C ATOM 286 CG GLU A 11 -36.629 -13.462 0.628 1.00 20.00 C ATOM 287 CD GLU A 11 -35.165 -13.714 0.347 1.00 20.00 C ATOM 288 OE1 GLU A 11 -34.337 -12.815 0.602 1.00 20.00 O ATOM 289 OE2 GLU A 11 -34.835 -14.812 -0.145 1.00 20.00 O ATOM 0 H GLU A 11 -38.631 -14.995 1.215 1.00 20.00 H new ATOM 0 HA GLU A 11 -38.565 -13.296 3.516 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -36.423 -12.568 2.557 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -36.545 -14.316 2.585 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -37.225 -14.245 0.159 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -36.925 -12.518 0.170 1.00 20.00 H new ATOM 296 N PHE A 12 -39.381 -11.113 2.796 1.00 20.00 N ATOM 297 CA PHE A 12 -39.825 -9.778 2.438 1.00 20.00 C ATOM 298 C PHE A 12 -39.124 -8.761 3.322 1.00 20.00 C ATOM 299 O PHE A 12 -39.756 -8.055 4.109 1.00 20.00 O ATOM 300 CB PHE A 12 -41.344 -9.642 2.571 1.00 20.00 C ATOM 301 CG PHE A 12 -42.115 -10.362 1.496 1.00 20.00 C ATOM 302 CD1 PHE A 12 -42.003 -9.972 0.170 1.00 20.00 C ATOM 303 CD2 PHE A 12 -42.953 -11.420 1.808 1.00 20.00 C ATOM 304 CE1 PHE A 12 -42.710 -10.624 -0.822 1.00 20.00 C ATOM 305 CE2 PHE A 12 -43.663 -12.075 0.820 1.00 20.00 C ATOM 306 CZ PHE A 12 -43.540 -11.677 -0.496 1.00 20.00 C ATOM 0 H PHE A 12 -39.379 -11.297 3.799 1.00 20.00 H new ATOM 0 HA PHE A 12 -39.569 -9.594 1.395 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -41.650 -10.026 3.544 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -41.608 -8.585 2.548 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -41.355 -9.148 -0.091 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -43.053 -11.737 2.836 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -42.613 -10.310 -1.851 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -44.314 -12.898 1.077 1.00 20.00 H new ATOM 0 HZ PHE A 12 -44.093 -12.189 -1.270 1.00 20.00 H new ATOM 316 N GLU A 13 -37.812 -8.715 3.201 1.00 20.00 N ATOM 317 CA GLU A 13 -36.995 -7.826 4.009 1.00 20.00 C ATOM 318 C GLU A 13 -36.375 -6.746 3.139 1.00 20.00 C ATOM 319 O GLU A 13 -36.104 -6.972 1.957 1.00 20.00 O ATOM 320 CB GLU A 13 -35.894 -8.619 4.712 1.00 20.00 C ATOM 321 CG GLU A 13 -36.416 -9.620 5.726 1.00 20.00 C ATOM 322 CD GLU A 13 -35.331 -10.539 6.236 1.00 20.00 C ATOM 323 OE1 GLU A 13 -34.646 -10.181 7.217 1.00 20.00 O ATOM 324 OE2 GLU A 13 -35.156 -11.631 5.663 1.00 20.00 O ATOM 0 H GLU A 13 -37.283 -9.289 2.544 1.00 20.00 H new ATOM 0 HA GLU A 13 -37.630 -7.355 4.759 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -35.304 -9.148 3.963 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -35.222 -7.923 5.214 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -36.860 -9.085 6.565 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -37.209 -10.214 5.271 1.00 20.00 H new ATOM 331 N THR A 14 -36.166 -5.575 3.718 1.00 20.00 N ATOM 332 CA THR A 14 -35.513 -4.493 3.015 1.00 20.00 C ATOM 333 C THR A 14 -34.011 -4.744 2.947 1.00 20.00 C ATOM 334 O THR A 14 -33.318 -4.762 3.966 1.00 20.00 O ATOM 335 CB THR A 14 -35.800 -3.122 3.674 1.00 20.00 C ATOM 336 OG1 THR A 14 -34.963 -2.110 3.099 1.00 20.00 O ATOM 337 CG2 THR A 14 -35.587 -3.171 5.181 1.00 20.00 C ATOM 0 H THR A 14 -36.441 -5.353 4.675 1.00 20.00 H new ATOM 0 HA THR A 14 -35.919 -4.461 2.004 1.00 20.00 H new ATOM 0 HB THR A 14 -36.846 -2.878 3.487 1.00 20.00 H new ATOM 0 HG1 THR A 14 -35.385 -1.759 2.287 1.00 20.00 H new ATOM 0 HG21 THR A 14 -35.798 -2.191 5.610 1.00 20.00 H new ATOM 0 HG22 THR A 14 -36.257 -3.911 5.619 1.00 20.00 H new ATOM 0 HG23 THR A 14 -34.554 -3.446 5.394 1.00 20.00 H new ATOM 345 N ILE A 15 -33.519 -4.975 1.742 1.00 20.00 N ATOM 346 CA ILE A 15 -32.101 -5.216 1.534 1.00 20.00 C ATOM 347 C ILE A 15 -31.433 -3.976 0.963 1.00 20.00 C ATOM 348 O ILE A 15 -30.487 -4.058 0.180 1.00 20.00 O ATOM 349 CB ILE A 15 -31.849 -6.431 0.611 1.00 20.00 C ATOM 350 CG1 ILE A 15 -32.575 -6.264 -0.724 1.00 20.00 C ATOM 351 CG2 ILE A 15 -32.295 -7.715 1.298 1.00 20.00 C ATOM 352 CD1 ILE A 15 -32.272 -7.361 -1.718 1.00 20.00 C ATOM 0 H ILE A 15 -34.081 -5.001 0.891 1.00 20.00 H new ATOM 0 HA ILE A 15 -31.664 -5.446 2.506 1.00 20.00 H new ATOM 0 HB ILE A 15 -30.779 -6.491 0.410 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -33.649 -6.236 -0.543 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -32.300 -5.304 -1.160 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -32.112 -8.563 0.638 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -31.733 -7.847 2.223 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -33.359 -7.655 1.526 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -32.821 -7.177 -2.641 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -31.203 -7.376 -1.929 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -32.573 -8.322 -1.302 1.00 20.00 H new ATOM 364 N GLU A 16 -31.921 -2.825 1.396 1.00 20.00 N ATOM 365 CA GLU A 16 -31.536 -1.552 0.806 1.00 20.00 C ATOM 366 C GLU A 16 -30.323 -0.917 1.490 1.00 20.00 C ATOM 367 O GLU A 16 -29.369 -0.534 0.817 1.00 20.00 O ATOM 368 CB GLU A 16 -32.724 -0.594 0.843 1.00 20.00 C ATOM 369 CG GLU A 16 -33.919 -1.083 0.040 1.00 20.00 C ATOM 370 CD GLU A 16 -35.164 -0.270 0.307 1.00 20.00 C ATOM 371 OE1 GLU A 16 -35.331 0.795 -0.321 1.00 20.00 O ATOM 372 OE2 GLU A 16 -35.978 -0.687 1.155 1.00 20.00 O ATOM 0 H GLU A 16 -32.591 -2.746 2.161 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.242 -1.749 -0.225 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -33.028 -0.444 1.879 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.410 0.377 0.459 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -33.681 -1.040 -1.023 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -34.112 -2.128 0.281 1.00 20.00 H new ATOM 379 N GLN A 17 -30.364 -0.760 2.808 1.00 20.00 N ATOM 380 CA GLN A 17 -29.282 -0.066 3.502 1.00 20.00 C ATOM 381 C GLN A 17 -28.192 -1.019 4.005 1.00 20.00 C ATOM 382 O GLN A 17 -27.100 -1.074 3.440 1.00 20.00 O ATOM 383 CB GLN A 17 -29.841 0.766 4.661 1.00 20.00 C ATOM 384 CG GLN A 17 -28.780 1.551 5.417 1.00 20.00 C ATOM 385 CD GLN A 17 -29.365 2.429 6.502 1.00 20.00 C ATOM 386 OE1 GLN A 17 -29.543 1.997 7.641 1.00 20.00 O ATOM 387 NE2 GLN A 17 -29.659 3.671 6.162 1.00 20.00 N ATOM 0 H GLN A 17 -31.117 -1.095 3.409 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.811 0.595 2.774 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -30.586 1.460 4.272 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -30.355 0.104 5.357 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.068 0.856 5.862 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -28.223 2.171 4.714 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -29.496 3.990 5.207 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -30.049 4.311 6.854 1.00 20.00 H new ATOM 396 N GLU A 18 -28.492 -1.773 5.055 1.00 20.00 N ATOM 397 CA GLU A 18 -27.489 -2.623 5.695 1.00 20.00 C ATOM 398 C GLU A 18 -27.496 -4.019 5.094 1.00 20.00 C ATOM 399 O GLU A 18 -26.448 -4.633 4.885 1.00 20.00 O ATOM 400 CB GLU A 18 -27.750 -2.706 7.203 1.00 20.00 C ATOM 401 CG GLU A 18 -26.669 -3.447 7.973 1.00 20.00 C ATOM 402 CD GLU A 18 -25.328 -2.750 7.902 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.118 -1.781 8.664 1.00 20.00 O ATOM 404 OE2 GLU A 18 -24.476 -3.165 7.091 1.00 20.00 O ATOM 0 H GLU A 18 -29.417 -1.815 5.482 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.509 -2.178 5.523 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.840 -1.696 7.603 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.706 -3.201 7.370 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.971 -3.543 9.016 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.572 -4.457 7.576 1.00 20.00 H new ATOM 411 N ASN A 19 -28.688 -4.498 4.796 1.00 20.00 N ATOM 412 CA ASN A 19 -28.880 -5.861 4.323 1.00 20.00 C ATOM 413 C ASN A 19 -28.225 -6.091 2.965 1.00 20.00 C ATOM 414 O ASN A 19 -28.047 -7.233 2.550 1.00 20.00 O ATOM 415 CB ASN A 19 -30.367 -6.194 4.257 1.00 20.00 C ATOM 416 CG ASN A 19 -30.901 -6.786 5.544 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.186 -7.473 6.273 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.165 -6.525 5.838 1.00 20.00 N ATOM 0 H ASN A 19 -29.550 -3.958 4.873 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.395 -6.527 5.037 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.926 -5.288 4.021 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.540 -6.896 3.442 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.577 -6.898 6.693 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.727 -5.951 5.209 1.00 20.00 H new ATOM 425 N SER A 20 -27.864 -5.009 2.281 1.00 20.00 N ATOM 426 CA SER A 20 -27.210 -5.109 0.982 1.00 20.00 C ATOM 427 C SER A 20 -25.916 -5.916 1.076 1.00 20.00 C ATOM 428 O SER A 20 -25.597 -6.700 0.183 1.00 20.00 O ATOM 429 CB SER A 20 -26.911 -3.715 0.438 1.00 20.00 C ATOM 430 OG SER A 20 -28.071 -2.909 0.466 1.00 20.00 O ATOM 0 H SER A 20 -28.014 -4.054 2.605 1.00 20.00 H new ATOM 0 HA SER A 20 -27.887 -5.626 0.303 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.124 -3.249 1.031 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.539 -3.790 -0.584 1.00 20.00 H new ATOM 0 HG SER A 20 -28.863 -3.479 0.557 1.00 20.00 H new ATOM 436 N TYR A 21 -25.176 -5.731 2.162 1.00 20.00 N ATOM 437 CA TYR A 21 -23.936 -6.465 2.352 1.00 20.00 C ATOM 438 C TYR A 21 -24.226 -7.782 3.058 1.00 20.00 C ATOM 439 O TYR A 21 -23.528 -8.780 2.858 1.00 20.00 O ATOM 440 CB TYR A 21 -22.931 -5.633 3.156 1.00 20.00 C ATOM 441 CG TYR A 21 -21.531 -6.209 3.151 1.00 20.00 C ATOM 442 CD1 TYR A 21 -20.643 -5.902 2.127 1.00 20.00 C ATOM 443 CD2 TYR A 21 -21.099 -7.065 4.159 1.00 20.00 C ATOM 444 CE1 TYR A 21 -19.368 -6.429 2.108 1.00 20.00 C ATOM 445 CE2 TYR A 21 -19.824 -7.596 4.145 1.00 20.00 C ATOM 446 CZ TYR A 21 -18.964 -7.275 3.117 1.00 20.00 C ATOM 447 OH TYR A 21 -17.694 -7.807 3.095 1.00 20.00 O ATOM 0 H TYR A 21 -25.411 -5.086 2.916 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.495 -6.673 1.377 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -22.901 -4.622 2.750 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.279 -5.553 4.186 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -20.956 -5.240 1.333 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -21.771 -7.318 4.965 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -18.690 -6.179 1.305 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -19.503 -8.259 4.935 1.00 20.00 H new ATOM 0 HH TYR A 21 -17.567 -8.382 3.878 1.00 20.00 H new ATOM 457 N ASN A 22 -25.279 -7.781 3.868 1.00 20.00 N ATOM 458 CA ASN A 22 -25.703 -8.980 4.580 1.00 20.00 C ATOM 459 C ASN A 22 -26.122 -10.066 3.596 1.00 20.00 C ATOM 460 O ASN A 22 -26.058 -11.247 3.914 1.00 20.00 O ATOM 461 CB ASN A 22 -26.860 -8.666 5.536 1.00 20.00 C ATOM 462 CG ASN A 22 -27.319 -9.884 6.321 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.223 -10.609 5.898 1.00 20.00 O ATOM 464 ND2 ASN A 22 -26.699 -10.124 7.468 1.00 20.00 N ATOM 0 H ASN A 22 -25.856 -6.960 4.048 1.00 20.00 H new ATOM 0 HA ASN A 22 -24.857 -9.341 5.165 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -26.550 -7.886 6.232 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -27.700 -8.269 4.966 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -26.965 -10.931 8.033 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -25.956 -9.502 7.786 1.00 20.00 H new ATOM 471 N GLU A 23 -26.534 -9.655 2.397 1.00 20.00 N ATOM 472 CA GLU A 23 -26.923 -10.595 1.345 1.00 20.00 C ATOM 473 C GLU A 23 -25.855 -11.666 1.127 1.00 20.00 C ATOM 474 O GLU A 23 -26.170 -12.853 1.006 1.00 20.00 O ATOM 475 CB GLU A 23 -27.178 -9.858 0.026 1.00 20.00 C ATOM 476 CG GLU A 23 -28.472 -9.058 -0.006 1.00 20.00 C ATOM 477 CD GLU A 23 -28.721 -8.425 -1.360 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.107 -9.154 -2.300 1.00 20.00 O ATOM 479 OE2 GLU A 23 -28.511 -7.203 -1.502 1.00 20.00 O ATOM 0 H GLU A 23 -26.607 -8.674 2.129 1.00 20.00 H new ATOM 0 HA GLU A 23 -27.842 -11.081 1.673 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -26.343 -9.184 -0.167 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.194 -10.585 -0.786 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.307 -9.711 0.247 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.435 -8.279 0.756 1.00 20.00 H new ATOM 486 N TRP A 24 -24.594 -11.248 1.093 1.00 20.00 N ATOM 487 CA TRP A 24 -23.494 -12.176 0.870 1.00 20.00 C ATOM 488 C TRP A 24 -23.226 -13.014 2.114 1.00 20.00 C ATOM 489 O TRP A 24 -22.948 -14.209 2.017 1.00 20.00 O ATOM 490 CB TRP A 24 -22.226 -11.429 0.455 1.00 20.00 C ATOM 491 CG TRP A 24 -22.352 -10.753 -0.874 1.00 20.00 C ATOM 492 CD1 TRP A 24 -22.474 -11.360 -2.088 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.359 -9.344 -1.127 1.00 20.00 C ATOM 494 NE1 TRP A 24 -22.569 -10.418 -3.080 1.00 20.00 N ATOM 495 CE2 TRP A 24 -22.497 -9.171 -2.517 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.264 -8.212 -0.314 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -22.542 -7.913 -3.109 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.308 -6.963 -0.903 1.00 20.00 C ATOM 499 CH2 TRP A 24 -22.447 -6.823 -2.288 1.00 20.00 C ATOM 0 H TRP A 24 -24.310 -10.276 1.217 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.784 -12.844 0.059 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -21.985 -10.684 1.214 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -21.392 -12.131 0.422 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -22.493 -12.428 -2.246 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -22.676 -10.614 -4.075 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.158 -8.311 0.756 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -22.648 -7.801 -4.178 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.234 -6.081 -0.284 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.480 -5.833 -2.718 1.00 20.00 H new ATOM 510 N LEU A 25 -23.329 -12.385 3.279 1.00 20.00 N ATOM 511 CA LEU A 25 -23.102 -13.072 4.545 1.00 20.00 C ATOM 512 C LEU A 25 -24.188 -14.126 4.760 1.00 20.00 C ATOM 513 O LEU A 25 -23.908 -15.255 5.162 1.00 20.00 O ATOM 514 CB LEU A 25 -23.078 -12.046 5.698 1.00 20.00 C ATOM 515 CG LEU A 25 -22.713 -12.576 7.100 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.913 -13.227 7.776 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.552 -13.560 7.023 1.00 20.00 C ATOM 0 H LEU A 25 -23.569 -11.398 3.373 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.137 -13.578 4.523 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.369 -11.260 5.438 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.062 -11.580 5.757 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.406 -11.722 7.704 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.623 -13.590 8.762 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.713 -12.495 7.880 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -24.263 -14.063 7.170 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.313 -13.920 8.024 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.831 -14.403 6.391 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -20.680 -13.062 6.599 1.00 20.00 H new ATOM 529 N ARG A 26 -25.419 -13.746 4.452 1.00 20.00 N ATOM 530 CA ARG A 26 -26.572 -14.614 4.619 1.00 20.00 C ATOM 531 C ARG A 26 -26.446 -15.851 3.739 1.00 20.00 C ATOM 532 O ARG A 26 -26.659 -16.971 4.198 1.00 20.00 O ATOM 533 CB ARG A 26 -27.850 -13.842 4.280 1.00 20.00 C ATOM 534 CG ARG A 26 -29.133 -14.588 4.597 1.00 20.00 C ATOM 535 CD ARG A 26 -30.353 -13.734 4.293 1.00 20.00 C ATOM 536 NE ARG A 26 -31.587 -14.383 4.719 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.725 -13.738 4.958 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.812 -12.429 4.767 1.00 20.00 N ATOM 539 NH2 ARG A 26 -33.790 -14.406 5.378 1.00 20.00 N ATOM 0 H ARG A 26 -25.646 -12.824 4.078 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.619 -14.943 5.657 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.847 -12.899 4.827 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.840 -13.594 3.219 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.175 -15.508 4.014 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.140 -14.876 5.648 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.257 -12.771 4.794 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.399 -13.533 3.223 1.00 20.00 H new ATOM 0 HE ARG A 26 -31.577 -15.396 4.841 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.001 -11.907 4.434 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.690 -11.944 4.953 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -33.737 -15.415 5.518 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -34.663 -13.911 5.561 1.00 20.00 H new ATOM 553 N ALA A 27 -26.067 -15.642 2.483 1.00 20.00 N ATOM 554 CA ALA A 27 -25.909 -16.737 1.533 1.00 20.00 C ATOM 555 C ALA A 27 -24.738 -17.634 1.914 1.00 20.00 C ATOM 556 O ALA A 27 -24.691 -18.809 1.547 1.00 20.00 O ATOM 557 CB ALA A 27 -25.713 -16.190 0.130 1.00 20.00 C ATOM 0 H ALA A 27 -25.863 -14.720 2.098 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.818 -17.338 1.559 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.596 -17.017 -0.570 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.581 -15.595 -0.153 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.821 -15.565 0.105 1.00 20.00 H new ATOM 563 N LYS A 28 -23.792 -17.068 2.647 1.00 20.00 N ATOM 564 CA LYS A 28 -22.609 -17.799 3.071 1.00 20.00 C ATOM 565 C LYS A 28 -22.923 -18.675 4.281 1.00 20.00 C ATOM 566 O LYS A 28 -22.589 -19.862 4.302 1.00 20.00 O ATOM 567 CB LYS A 28 -21.471 -16.821 3.388 1.00 20.00 C ATOM 568 CG LYS A 28 -20.191 -17.481 3.875 1.00 20.00 C ATOM 569 CD LYS A 28 -19.062 -16.467 3.985 1.00 20.00 C ATOM 570 CE LYS A 28 -17.810 -17.072 4.607 1.00 20.00 C ATOM 571 NZ LYS A 28 -18.034 -17.478 6.018 1.00 20.00 N ATOM 0 H LYS A 28 -23.822 -16.098 2.962 1.00 20.00 H new ATOM 0 HA LYS A 28 -22.290 -18.450 2.257 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.248 -16.240 2.493 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.814 -16.118 4.147 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.364 -17.945 4.846 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.904 -18.277 3.188 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.824 -16.081 2.994 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.393 -15.620 4.586 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.498 -17.939 4.025 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -16.996 -16.348 4.562 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.118 -17.644 6.481 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -18.544 -16.723 6.520 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.597 -18.352 6.043 1.00 20.00 H new ATOM 585 N VAL A 29 -23.574 -18.090 5.280 1.00 20.00 N ATOM 586 CA VAL A 29 -23.935 -18.817 6.491 1.00 20.00 C ATOM 587 C VAL A 29 -25.028 -19.839 6.202 1.00 20.00 C ATOM 588 O VAL A 29 -24.903 -21.014 6.556 1.00 20.00 O ATOM 589 CB VAL A 29 -24.400 -17.861 7.612 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.867 -18.637 8.835 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.284 -16.901 7.990 1.00 20.00 C ATOM 0 H VAL A 29 -23.863 -17.112 5.275 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.040 -19.336 6.833 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.244 -17.285 7.233 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.188 -17.939 9.608 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.701 -19.283 8.560 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.047 -19.246 9.215 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -23.629 -16.235 8.781 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.421 -17.467 8.343 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.000 -16.312 7.118 1.00 20.00 H new ATOM 601 N ALA A 30 -26.085 -19.395 5.535 1.00 20.00 N ATOM 602 CA ALA A 30 -27.197 -20.271 5.208 1.00 20.00 C ATOM 603 C ALA A 30 -26.907 -21.038 3.925 1.00 20.00 C ATOM 604 O ALA A 30 -27.303 -20.628 2.833 1.00 20.00 O ATOM 605 CB ALA A 30 -28.486 -19.474 5.080 1.00 20.00 C ATOM 0 H ALA A 30 -26.194 -18.434 5.211 1.00 20.00 H new ATOM 0 HA ALA A 30 -27.322 -20.990 6.018 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -29.307 -20.147 4.835 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -28.698 -18.971 6.024 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -28.378 -18.731 4.290 1.00 20.00 H new ATOM 611 N THR A 31 -26.198 -22.143 4.063 1.00 20.00 N ATOM 612 CA THR A 31 -25.833 -22.961 2.923 1.00 20.00 C ATOM 613 C THR A 31 -26.991 -23.876 2.530 1.00 20.00 C ATOM 614 O THR A 31 -27.198 -24.931 3.134 1.00 20.00 O ATOM 615 CB THR A 31 -24.585 -23.799 3.239 1.00 20.00 C ATOM 616 OG1 THR A 31 -23.571 -22.948 3.787 1.00 20.00 O ATOM 617 CG2 THR A 31 -24.055 -24.491 1.991 1.00 20.00 C ATOM 0 H THR A 31 -25.862 -22.496 4.959 1.00 20.00 H new ATOM 0 HA THR A 31 -25.608 -22.300 2.086 1.00 20.00 H new ATOM 0 HB THR A 31 -24.858 -24.568 3.961 1.00 20.00 H new ATOM 0 HG1 THR A 31 -22.773 -23.479 3.991 1.00 20.00 H new ATOM 0 HG21 THR A 31 -23.172 -25.076 2.247 1.00 20.00 H new ATOM 0 HG22 THR A 31 -24.823 -25.151 1.587 1.00 20.00 H new ATOM 0 HG23 THR A 31 -23.790 -23.742 1.244 1.00 20.00 H new ATOM 625 N SER A 32 -27.754 -23.456 1.532 1.00 20.00 N ATOM 626 CA SER A 32 -28.911 -24.212 1.084 1.00 20.00 C ATOM 627 C SER A 32 -28.494 -25.283 0.082 1.00 20.00 C ATOM 628 O SER A 32 -27.565 -25.090 -0.706 1.00 20.00 O ATOM 629 CB SER A 32 -29.953 -23.275 0.461 1.00 20.00 C ATOM 630 OG SER A 32 -31.103 -23.986 0.031 1.00 20.00 O ATOM 0 H SER A 32 -27.591 -22.592 1.016 1.00 20.00 H new ATOM 0 HA SER A 32 -29.358 -24.703 1.948 1.00 20.00 H new ATOM 0 HB2 SER A 32 -30.244 -22.518 1.189 1.00 20.00 H new ATOM 0 HB3 SER A 32 -29.511 -22.750 -0.386 1.00 20.00 H new ATOM 0 HG SER A 32 -31.748 -23.360 -0.359 1.00 20.00 H new ATOM 636 N LEU A 33 -29.181 -26.413 0.124 1.00 20.00 N ATOM 637 CA LEU A 33 -28.909 -27.512 -0.781 1.00 20.00 C ATOM 638 C LEU A 33 -30.176 -27.896 -1.539 1.00 20.00 C ATOM 639 O LEU A 33 -30.380 -29.059 -1.890 1.00 20.00 O ATOM 640 CB LEU A 33 -28.328 -28.704 0.000 1.00 20.00 C ATOM 641 CG LEU A 33 -28.969 -28.982 1.369 1.00 20.00 C ATOM 642 CD1 LEU A 33 -30.352 -29.591 1.217 1.00 20.00 C ATOM 643 CD2 LEU A 33 -28.078 -29.891 2.200 1.00 20.00 C ATOM 0 H LEU A 33 -29.938 -26.592 0.783 1.00 20.00 H new ATOM 0 HA LEU A 33 -28.167 -27.202 -1.517 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -28.425 -29.599 -0.614 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -27.262 -28.533 0.147 1.00 20.00 H new ATOM 0 HG LEU A 33 -29.077 -28.029 1.886 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -30.779 -29.776 2.203 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -30.994 -28.903 0.667 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -30.277 -30.532 0.672 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -28.548 -30.077 3.166 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -27.935 -30.837 1.678 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -27.111 -29.412 2.353 1.00 20.00 H new ATOM 655 N ALA A 34 -31.016 -26.888 -1.782 1.00 20.00 N ATOM 656 CA ALA A 34 -32.289 -27.061 -2.477 1.00 20.00 C ATOM 657 C ALA A 34 -33.234 -27.944 -1.667 1.00 20.00 C ATOM 658 O ALA A 34 -33.307 -29.159 -1.873 1.00 20.00 O ATOM 659 CB ALA A 34 -32.074 -27.626 -3.875 1.00 20.00 C ATOM 0 H ALA A 34 -30.830 -25.926 -1.500 1.00 20.00 H new ATOM 0 HA ALA A 34 -32.753 -26.080 -2.582 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -33.037 -27.745 -4.371 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -31.451 -26.943 -4.452 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -31.580 -28.595 -3.804 1.00 20.00 H new ATOM 665 N ASP A 35 -33.946 -27.315 -0.741 1.00 20.00 N ATOM 666 CA ASP A 35 -34.875 -28.013 0.145 1.00 20.00 C ATOM 667 C ASP A 35 -36.013 -28.645 -0.660 1.00 20.00 C ATOM 668 O ASP A 35 -36.807 -27.944 -1.290 1.00 20.00 O ATOM 669 CB ASP A 35 -35.431 -27.038 1.188 1.00 20.00 C ATOM 670 CG ASP A 35 -36.127 -27.741 2.332 1.00 20.00 C ATOM 671 OD1 ASP A 35 -35.667 -28.829 2.734 1.00 20.00 O ATOM 672 OD2 ASP A 35 -37.118 -27.192 2.857 1.00 20.00 O ATOM 0 H ASP A 35 -33.898 -26.309 -0.581 1.00 20.00 H new ATOM 0 HA ASP A 35 -34.339 -28.811 0.659 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -34.616 -26.431 1.582 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -36.132 -26.357 0.705 1.00 20.00 H new ATOM 677 N PRO A 36 -36.094 -29.985 -0.666 1.00 20.00 N ATOM 678 CA PRO A 36 -37.041 -30.722 -1.505 1.00 20.00 C ATOM 679 C PRO A 36 -38.433 -30.859 -0.893 1.00 20.00 C ATOM 680 O PRO A 36 -39.363 -31.326 -1.553 1.00 20.00 O ATOM 681 CB PRO A 36 -36.377 -32.092 -1.622 1.00 20.00 C ATOM 682 CG PRO A 36 -35.664 -32.272 -0.324 1.00 20.00 C ATOM 683 CD PRO A 36 -35.247 -30.893 0.129 1.00 20.00 C ATOM 0 HA PRO A 36 -37.220 -30.212 -2.451 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -37.115 -32.878 -1.782 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -35.685 -32.127 -2.463 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -36.314 -32.743 0.414 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -34.796 -32.920 -0.444 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -35.411 -30.758 1.198 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -34.188 -30.715 -0.056 1.00 20.00 H new ATOM 691 N ARG A 37 -38.584 -30.456 0.360 1.00 20.00 N ATOM 692 CA ARG A 37 -39.862 -30.604 1.041 1.00 20.00 C ATOM 693 C ARG A 37 -40.790 -29.440 0.696 1.00 20.00 C ATOM 694 O ARG A 37 -40.374 -28.280 0.705 1.00 20.00 O ATOM 695 CB ARG A 37 -39.663 -30.693 2.559 1.00 20.00 C ATOM 696 CG ARG A 37 -39.066 -29.440 3.170 1.00 20.00 C ATOM 697 CD ARG A 37 -38.974 -29.537 4.680 1.00 20.00 C ATOM 698 NE ARG A 37 -38.385 -28.335 5.262 1.00 20.00 N ATOM 699 CZ ARG A 37 -38.564 -27.955 6.525 1.00 20.00 C ATOM 700 NH1 ARG A 37 -39.311 -28.688 7.341 1.00 20.00 N ATOM 701 NH2 ARG A 37 -37.992 -26.843 6.972 1.00 20.00 N ATOM 0 H ARG A 37 -37.847 -30.029 0.921 1.00 20.00 H new ATOM 0 HA ARG A 37 -40.323 -31.531 0.700 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -40.624 -30.894 3.031 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -39.014 -31.540 2.782 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -38.072 -29.272 2.756 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -39.675 -28.578 2.898 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -39.969 -29.693 5.096 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -38.374 -30.405 4.953 1.00 20.00 H new ATOM 0 HE ARG A 37 -37.801 -27.751 4.664 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -39.749 -29.544 7.001 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -39.447 -28.395 8.309 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -37.415 -26.280 6.347 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -38.130 -26.552 7.940 1.00 20.00 H new ATOM 715 N PRO A 38 -42.052 -29.738 0.353 1.00 20.00 N ATOM 716 CA PRO A 38 -43.057 -28.711 0.080 1.00 20.00 C ATOM 717 C PRO A 38 -43.350 -27.864 1.311 1.00 20.00 C ATOM 718 O PRO A 38 -43.797 -28.376 2.343 1.00 20.00 O ATOM 719 CB PRO A 38 -44.306 -29.505 -0.318 1.00 20.00 C ATOM 720 CG PRO A 38 -43.813 -30.866 -0.669 1.00 20.00 C ATOM 721 CD PRO A 38 -42.593 -31.095 0.176 1.00 20.00 C ATOM 0 HA PRO A 38 -42.722 -28.016 -0.690 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -45.023 -29.546 0.502 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -44.814 -29.041 -1.163 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -44.574 -31.620 -0.468 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -43.571 -30.932 -1.730 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -42.845 -31.557 1.131 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -41.878 -31.753 -0.318 1.00 20.00 H new ATOM 729 N ALA A 39 -43.086 -26.575 1.204 1.00 20.00 N ATOM 730 CA ALA A 39 -43.354 -25.649 2.289 1.00 20.00 C ATOM 731 C ALA A 39 -44.724 -25.019 2.118 1.00 20.00 C ATOM 732 O ALA A 39 -45.136 -24.706 1.000 1.00 20.00 O ATOM 733 CB ALA A 39 -42.284 -24.570 2.343 1.00 20.00 C ATOM 0 H ALA A 39 -42.684 -26.144 0.372 1.00 20.00 H new ATOM 0 HA ALA A 39 -43.338 -26.203 3.228 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -42.500 -23.884 3.162 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -41.310 -25.032 2.504 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -42.274 -24.020 1.402 1.00 20.00 H new ATOM 739 N ILE A 40 -45.437 -24.855 3.218 1.00 20.00 N ATOM 740 CA ILE A 40 -46.737 -24.210 3.188 1.00 20.00 C ATOM 741 C ILE A 40 -46.579 -22.721 3.478 1.00 20.00 C ATOM 742 O ILE A 40 -46.071 -22.342 4.534 1.00 20.00 O ATOM 743 CB ILE A 40 -47.711 -24.835 4.210 1.00 20.00 C ATOM 744 CG1 ILE A 40 -47.808 -26.349 4.002 1.00 20.00 C ATOM 745 CG2 ILE A 40 -49.086 -24.191 4.086 1.00 20.00 C ATOM 746 CD1 ILE A 40 -48.715 -27.042 4.991 1.00 20.00 C ATOM 0 H ILE A 40 -45.137 -25.160 4.144 1.00 20.00 H new ATOM 0 HA ILE A 40 -47.157 -24.355 2.193 1.00 20.00 H new ATOM 0 HB ILE A 40 -47.328 -24.651 5.214 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -48.169 -26.545 2.992 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -46.810 -26.781 4.074 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -49.765 -24.640 4.811 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -49.005 -23.121 4.278 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -49.473 -24.351 3.080 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -48.733 -28.111 4.781 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -48.344 -26.877 6.003 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -49.724 -26.638 4.905 1.00 20.00 H new ATOM 758 N PRO A 41 -46.977 -21.864 2.523 1.00 20.00 N ATOM 759 CA PRO A 41 -46.908 -20.408 2.678 1.00 20.00 C ATOM 760 C PRO A 41 -47.556 -19.934 3.976 1.00 20.00 C ATOM 761 O PRO A 41 -48.746 -20.153 4.199 1.00 20.00 O ATOM 762 CB PRO A 41 -47.699 -19.884 1.477 1.00 20.00 C ATOM 763 CG PRO A 41 -47.605 -20.960 0.452 1.00 20.00 C ATOM 764 CD PRO A 41 -47.517 -22.256 1.209 1.00 20.00 C ATOM 0 HA PRO A 41 -45.878 -20.053 2.720 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -48.736 -19.684 1.745 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -47.280 -18.949 1.106 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -48.476 -20.950 -0.203 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -46.729 -20.819 -0.181 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -48.494 -22.730 1.304 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -46.864 -22.969 0.706 1.00 20.00 H new ATOM 772 N HIS A 42 -46.775 -19.284 4.832 1.00 20.00 N ATOM 773 CA HIS A 42 -47.301 -18.786 6.096 1.00 20.00 C ATOM 774 C HIS A 42 -48.191 -17.570 5.857 1.00 20.00 C ATOM 775 O HIS A 42 -48.969 -17.187 6.727 1.00 20.00 O ATOM 776 CB HIS A 42 -46.179 -18.463 7.101 1.00 20.00 C ATOM 777 CG HIS A 42 -45.207 -17.401 6.665 1.00 20.00 C ATOM 778 ND1 HIS A 42 -43.900 -17.675 6.319 1.00 20.00 N ATOM 779 CD2 HIS A 42 -45.345 -16.056 6.559 1.00 20.00 C ATOM 780 CE1 HIS A 42 -43.278 -16.549 6.022 1.00 20.00 C ATOM 781 NE2 HIS A 42 -44.133 -15.554 6.158 1.00 20.00 N ATOM 0 H HIS A 42 -45.786 -19.091 4.676 1.00 20.00 H new ATOM 0 HA HIS A 42 -47.904 -19.578 6.539 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -46.635 -18.150 8.040 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -45.623 -19.378 7.305 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -46.242 -15.486 6.754 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -42.245 -16.458 5.719 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -43.926 -14.569 5.992 1.00 20.00 H new ATOM 790 N ASP A 43 -48.075 -16.973 4.670 1.00 20.00 N ATOM 791 CA ASP A 43 -48.958 -15.876 4.279 1.00 20.00 C ATOM 792 C ASP A 43 -50.405 -16.351 4.300 1.00 20.00 C ATOM 793 O ASP A 43 -51.301 -15.638 4.752 1.00 20.00 O ATOM 794 CB ASP A 43 -48.607 -15.337 2.886 1.00 20.00 C ATOM 795 CG ASP A 43 -47.298 -14.572 2.849 1.00 20.00 C ATOM 796 OD1 ASP A 43 -47.303 -13.359 3.149 1.00 20.00 O ATOM 797 OD2 ASP A 43 -46.259 -15.177 2.507 1.00 20.00 O ATOM 0 H ASP A 43 -47.382 -17.230 3.967 1.00 20.00 H new ATOM 0 HA ASP A 43 -48.824 -15.064 4.994 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -48.552 -16.170 2.185 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -49.410 -14.685 2.544 1.00 20.00 H new ATOM 802 N GLU A 44 -50.613 -17.576 3.830 1.00 20.00 N ATOM 803 CA GLU A 44 -51.922 -18.220 3.860 1.00 20.00 C ATOM 804 C GLU A 44 -52.501 -18.180 5.273 1.00 20.00 C ATOM 805 O GLU A 44 -53.660 -17.815 5.475 1.00 20.00 O ATOM 806 CB GLU A 44 -51.779 -19.671 3.379 1.00 20.00 C ATOM 807 CG GLU A 44 -53.058 -20.487 3.429 1.00 20.00 C ATOM 808 CD GLU A 44 -54.127 -19.968 2.494 1.00 20.00 C ATOM 809 OE1 GLU A 44 -53.918 -20.006 1.262 1.00 20.00 O ATOM 810 OE2 GLU A 44 -55.195 -19.547 2.986 1.00 20.00 O ATOM 0 H GLU A 44 -49.879 -18.151 3.417 1.00 20.00 H new ATOM 0 HA GLU A 44 -52.605 -17.686 3.199 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -51.409 -19.664 2.354 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -51.024 -20.168 3.988 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -52.832 -21.522 3.174 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -53.443 -20.486 4.449 1.00 20.00 H new ATOM 817 N VAL A 45 -51.662 -18.515 6.244 1.00 20.00 N ATOM 818 CA VAL A 45 -52.061 -18.551 7.644 1.00 20.00 C ATOM 819 C VAL A 45 -52.377 -17.151 8.165 1.00 20.00 C ATOM 820 O VAL A 45 -53.403 -16.936 8.809 1.00 20.00 O ATOM 821 CB VAL A 45 -50.953 -19.183 8.514 1.00 20.00 C ATOM 822 CG1 VAL A 45 -51.323 -19.156 9.989 1.00 20.00 C ATOM 823 CG2 VAL A 45 -50.674 -20.604 8.060 1.00 20.00 C ATOM 0 H VAL A 45 -50.687 -18.769 6.083 1.00 20.00 H new ATOM 0 HA VAL A 45 -52.961 -19.162 7.709 1.00 20.00 H new ATOM 0 HB VAL A 45 -50.047 -18.589 8.389 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -50.522 -19.608 10.573 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -51.468 -18.124 10.309 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -52.245 -19.716 10.143 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -49.891 -21.038 8.682 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -51.582 -21.200 8.152 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -50.349 -20.596 7.020 1.00 20.00 H new ATOM 833 N GLU A 46 -51.499 -16.200 7.866 1.00 20.00 N ATOM 834 CA GLU A 46 -51.653 -14.831 8.356 1.00 20.00 C ATOM 835 C GLU A 46 -52.945 -14.196 7.848 1.00 20.00 C ATOM 836 O GLU A 46 -53.633 -13.503 8.593 1.00 20.00 O ATOM 837 CB GLU A 46 -50.455 -13.964 7.961 1.00 20.00 C ATOM 838 CG GLU A 46 -49.119 -14.557 8.377 1.00 20.00 C ATOM 839 CD GLU A 46 -47.952 -13.653 8.053 1.00 20.00 C ATOM 840 OE1 GLU A 46 -47.641 -13.482 6.859 1.00 20.00 O ATOM 841 OE2 GLU A 46 -47.331 -13.120 8.997 1.00 20.00 O ATOM 0 H GLU A 46 -50.673 -16.350 7.287 1.00 20.00 H new ATOM 0 HA GLU A 46 -51.702 -14.885 9.444 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -50.460 -13.821 6.880 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -50.564 -12.979 8.414 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -49.132 -14.756 9.449 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -48.980 -15.515 7.877 1.00 20.00 H new ATOM 848 N ARG A 47 -53.285 -14.446 6.588 1.00 20.00 N ATOM 849 CA ARG A 47 -54.521 -13.909 6.018 1.00 20.00 C ATOM 850 C ARG A 47 -55.745 -14.563 6.655 1.00 20.00 C ATOM 851 O ARG A 47 -56.843 -14.009 6.622 1.00 20.00 O ATOM 852 CB ARG A 47 -54.571 -14.090 4.498 1.00 20.00 C ATOM 853 CG ARG A 47 -53.855 -12.999 3.707 1.00 20.00 C ATOM 854 CD ARG A 47 -52.353 -13.033 3.921 1.00 20.00 C ATOM 855 NE ARG A 47 -51.662 -12.007 3.147 1.00 20.00 N ATOM 856 CZ ARG A 47 -50.985 -12.246 2.025 1.00 20.00 C ATOM 857 NH1 ARG A 47 -51.000 -13.456 1.480 1.00 20.00 N ATOM 858 NH2 ARG A 47 -50.315 -11.266 1.436 1.00 20.00 N ATOM 0 H ARG A 47 -52.730 -15.011 5.945 1.00 20.00 H new ATOM 0 HA ARG A 47 -54.533 -12.841 6.235 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -54.129 -15.054 4.245 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -55.614 -14.125 4.183 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -54.073 -13.119 2.646 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -54.241 -12.024 4.003 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -52.136 -12.895 4.980 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -51.970 -14.015 3.643 1.00 20.00 H new ATOM 0 HE ARG A 47 -51.700 -11.046 3.487 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -51.531 -14.207 1.920 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -50.480 -13.635 0.621 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -50.318 -10.330 1.842 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -49.796 -11.447 0.577 1.00 20.00 H new ATOM 872 N ARG A 48 -55.554 -15.741 7.235 1.00 20.00 N ATOM 873 CA ARG A 48 -56.634 -16.422 7.937 1.00 20.00 C ATOM 874 C ARG A 48 -56.747 -15.882 9.355 1.00 20.00 C ATOM 875 O ARG A 48 -57.846 -15.658 9.864 1.00 20.00 O ATOM 876 CB ARG A 48 -56.406 -17.936 7.967 1.00 20.00 C ATOM 877 CG ARG A 48 -56.416 -18.591 6.593 1.00 20.00 C ATOM 878 CD ARG A 48 -56.178 -20.088 6.688 1.00 20.00 C ATOM 879 NE ARG A 48 -56.081 -20.717 5.371 1.00 20.00 N ATOM 880 CZ ARG A 48 -56.226 -22.025 5.161 1.00 20.00 C ATOM 881 NH1 ARG A 48 -56.496 -22.835 6.177 1.00 20.00 N ATOM 882 NH2 ARG A 48 -56.102 -22.521 3.937 1.00 20.00 N ATOM 0 H ARG A 48 -54.666 -16.243 7.233 1.00 20.00 H new ATOM 0 HA ARG A 48 -57.564 -16.232 7.401 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -55.449 -18.140 8.448 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -57.178 -18.397 8.584 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -57.373 -18.404 6.107 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -55.647 -18.138 5.967 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -55.260 -20.273 7.246 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -56.991 -20.548 7.250 1.00 20.00 H new ATOM 0 HE ARG A 48 -55.891 -20.120 4.566 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -56.593 -22.457 7.119 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -56.607 -23.836 6.016 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -55.895 -21.901 3.154 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -56.213 -23.522 3.779 1.00 20.00 H new ATOM 896 N MET A 49 -55.600 -15.651 9.982 1.00 20.00 N ATOM 897 CA MET A 49 -55.560 -15.104 11.334 1.00 20.00 C ATOM 898 C MET A 49 -55.996 -13.646 11.339 1.00 20.00 C ATOM 899 O MET A 49 -56.397 -13.112 12.370 1.00 20.00 O ATOM 900 CB MET A 49 -54.158 -15.231 11.928 1.00 20.00 C ATOM 901 CG MET A 49 -53.699 -16.667 12.094 1.00 20.00 C ATOM 902 SD MET A 49 -54.832 -17.653 13.090 1.00 20.00 S ATOM 903 CE MET A 49 -54.025 -19.252 13.021 1.00 20.00 C ATOM 0 H MET A 49 -54.683 -15.834 9.575 1.00 20.00 H new ATOM 0 HA MET A 49 -56.253 -15.678 11.948 1.00 20.00 H new ATOM 0 HB2 MET A 49 -53.451 -14.704 11.287 1.00 20.00 H new ATOM 0 HB3 MET A 49 -54.137 -14.737 12.899 1.00 20.00 H new ATOM 0 HG2 MET A 49 -53.594 -17.126 11.111 1.00 20.00 H new ATOM 0 HG3 MET A 49 -52.713 -16.677 12.558 1.00 20.00 H new ATOM 0 HE1 MET A 49 -54.605 -19.977 13.592 1.00 20.00 H new ATOM 0 HE2 MET A 49 -53.955 -19.580 11.984 1.00 20.00 H new ATOM 0 HE3 MET A 49 -53.024 -19.173 13.445 1.00 20.00 H new ATOM 913 N ALA A 50 -55.911 -13.008 10.176 1.00 20.00 N ATOM 914 CA ALA A 50 -56.355 -11.629 10.012 1.00 20.00 C ATOM 915 C ALA A 50 -57.810 -11.467 10.435 1.00 20.00 C ATOM 916 O ALA A 50 -58.199 -10.439 10.990 1.00 20.00 O ATOM 917 CB ALA A 50 -56.177 -11.190 8.569 1.00 20.00 C ATOM 0 H ALA A 50 -55.535 -13.429 9.326 1.00 20.00 H new ATOM 0 HA ALA A 50 -55.743 -10.997 10.655 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -56.512 -10.159 8.459 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -55.125 -11.261 8.294 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -56.767 -11.835 7.917 1.00 20.00 H new ATOM 923 N GLU A 51 -58.608 -12.498 10.184 1.00 20.00 N ATOM 924 CA GLU A 51 -60.020 -12.477 10.545 1.00 20.00 C ATOM 925 C GLU A 51 -60.193 -12.594 12.053 1.00 20.00 C ATOM 926 O GLU A 51 -61.180 -12.122 12.616 1.00 20.00 O ATOM 927 CB GLU A 51 -60.772 -13.613 9.855 1.00 20.00 C ATOM 928 CG GLU A 51 -60.743 -13.545 8.337 1.00 20.00 C ATOM 929 CD GLU A 51 -61.702 -14.529 7.707 1.00 20.00 C ATOM 930 OE1 GLU A 51 -61.323 -15.703 7.523 1.00 20.00 O ATOM 931 OE2 GLU A 51 -62.847 -14.132 7.399 1.00 20.00 O ATOM 0 H GLU A 51 -58.301 -13.359 9.732 1.00 20.00 H new ATOM 0 HA GLU A 51 -60.434 -11.525 10.213 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -60.344 -14.564 10.174 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -61.810 -13.603 10.189 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -60.996 -12.535 8.015 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -59.732 -13.748 7.984 1.00 20.00 H new ATOM 938 N ARG A 52 -59.220 -13.215 12.699 1.00 20.00 N ATOM 939 CA ARG A 52 -59.256 -13.416 14.141 1.00 20.00 C ATOM 940 C ARG A 52 -58.722 -12.175 14.842 1.00 20.00 C ATOM 941 O ARG A 52 -59.085 -11.876 15.978 1.00 20.00 O ATOM 942 CB ARG A 52 -58.426 -14.646 14.523 1.00 20.00 C ATOM 943 CG ARG A 52 -58.841 -15.917 13.790 1.00 20.00 C ATOM 944 CD ARG A 52 -60.265 -16.330 14.130 1.00 20.00 C ATOM 945 NE ARG A 52 -60.379 -16.810 15.504 1.00 20.00 N ATOM 946 CZ ARG A 52 -61.502 -17.276 16.042 1.00 20.00 C ATOM 947 NH1 ARG A 52 -62.637 -17.255 15.353 1.00 20.00 N ATOM 948 NH2 ARG A 52 -61.492 -17.750 17.281 1.00 20.00 N ATOM 0 H ARG A 52 -58.388 -13.592 12.244 1.00 20.00 H new ATOM 0 HA ARG A 52 -60.286 -13.585 14.456 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -57.375 -14.443 14.315 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -58.512 -14.812 15.597 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -58.756 -15.760 12.715 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -58.157 -16.725 14.049 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -60.934 -15.481 13.985 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -60.590 -17.112 13.444 1.00 20.00 H new ATOM 0 HE ARG A 52 -59.544 -16.786 16.089 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -62.651 -16.880 14.405 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -63.495 -17.614 15.772 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -60.625 -17.756 17.818 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -62.352 -18.108 17.697 1.00 20.00 H new ATOM 962 N PHE A 53 -57.876 -11.440 14.128 1.00 20.00 N ATOM 963 CA PHE A 53 -57.322 -10.184 14.618 1.00 20.00 C ATOM 964 C PHE A 53 -58.428 -9.141 14.779 1.00 20.00 C ATOM 965 O PHE A 53 -58.247 -8.112 15.431 1.00 20.00 O ATOM 966 CB PHE A 53 -56.240 -9.685 13.651 1.00 20.00 C ATOM 967 CG PHE A 53 -55.542 -8.429 14.094 1.00 20.00 C ATOM 968 CD1 PHE A 53 -54.688 -8.439 15.187 1.00 20.00 C ATOM 969 CD2 PHE A 53 -55.737 -7.237 13.413 1.00 20.00 C ATOM 970 CE1 PHE A 53 -54.046 -7.285 15.593 1.00 20.00 C ATOM 971 CE2 PHE A 53 -55.096 -6.081 13.814 1.00 20.00 C ATOM 972 CZ PHE A 53 -54.251 -6.105 14.906 1.00 20.00 C ATOM 0 H PHE A 53 -57.556 -11.698 13.195 1.00 20.00 H new ATOM 0 HA PHE A 53 -56.870 -10.350 15.596 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -55.497 -10.472 13.519 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -56.694 -9.509 12.676 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -54.523 -9.360 15.727 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -56.398 -7.212 12.559 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -53.385 -7.306 16.447 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -55.256 -5.159 13.274 1.00 20.00 H new ATOM 0 HZ PHE A 53 -53.751 -5.202 15.222 1.00 20.00 H new ATOM 982 N ALA A 54 -59.584 -9.420 14.188 1.00 20.00 N ATOM 983 CA ALA A 54 -60.754 -8.566 14.344 1.00 20.00 C ATOM 984 C ALA A 54 -61.192 -8.522 15.804 1.00 20.00 C ATOM 985 O ALA A 54 -61.784 -7.544 16.260 1.00 20.00 O ATOM 986 CB ALA A 54 -61.887 -9.061 13.463 1.00 20.00 C ATOM 0 H ALA A 54 -59.736 -10.235 13.594 1.00 20.00 H new ATOM 0 HA ALA A 54 -60.490 -7.555 14.035 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -62.755 -8.414 13.589 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -61.571 -9.045 12.420 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -62.150 -10.080 13.747 1.00 20.00 H new ATOM 992 N LYS A 55 -60.877 -9.586 16.538 1.00 20.00 N ATOM 993 CA LYS A 55 -61.186 -9.654 17.959 1.00 20.00 C ATOM 994 C LYS A 55 -60.322 -8.680 18.746 1.00 20.00 C ATOM 995 O LYS A 55 -60.712 -8.208 19.811 1.00 20.00 O ATOM 996 CB LYS A 55 -60.979 -11.066 18.499 1.00 20.00 C ATOM 997 CG LYS A 55 -61.922 -12.102 17.908 1.00 20.00 C ATOM 998 CD LYS A 55 -61.889 -13.380 18.720 1.00 20.00 C ATOM 999 CE LYS A 55 -62.967 -14.355 18.283 1.00 20.00 C ATOM 1000 NZ LYS A 55 -63.089 -15.493 19.229 1.00 20.00 N ATOM 0 H LYS A 55 -60.407 -10.413 16.169 1.00 20.00 H new ATOM 0 HA LYS A 55 -62.234 -9.381 18.079 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -59.951 -11.372 18.302 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -61.105 -11.051 19.582 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -62.937 -11.706 17.885 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -61.639 -12.313 16.877 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -60.911 -13.850 18.618 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -62.020 -13.143 19.776 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -63.922 -13.835 18.213 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -62.736 -14.732 17.287 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -63.834 -16.139 18.900 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -62.184 -16.003 19.277 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -63.334 -15.134 20.174 1.00 20.00 H new ATOM 1014 N MET A 56 -59.156 -8.360 18.202 1.00 20.00 N ATOM 1015 CA MET A 56 -58.239 -7.434 18.854 1.00 20.00 C ATOM 1016 C MET A 56 -58.762 -6.011 18.755 1.00 20.00 C ATOM 1017 O MET A 56 -58.291 -5.111 19.449 1.00 20.00 O ATOM 1018 CB MET A 56 -56.838 -7.528 18.247 1.00 20.00 C ATOM 1019 CG MET A 56 -56.168 -8.873 18.481 1.00 20.00 C ATOM 1020 SD MET A 56 -56.055 -9.304 20.228 1.00 20.00 S ATOM 1021 CE MET A 56 -54.967 -8.015 20.833 1.00 20.00 C ATOM 0 H MET A 56 -58.822 -8.728 17.311 1.00 20.00 H new ATOM 0 HA MET A 56 -58.172 -7.711 19.906 1.00 20.00 H new ATOM 0 HB2 MET A 56 -56.902 -7.344 17.175 1.00 20.00 H new ATOM 0 HB3 MET A 56 -56.213 -6.741 18.669 1.00 20.00 H new ATOM 0 HG2 MET A 56 -56.726 -9.648 17.956 1.00 20.00 H new ATOM 0 HG3 MET A 56 -55.167 -8.855 18.051 1.00 20.00 H new ATOM 0 HE1 MET A 56 -54.633 -8.264 21.840 1.00 20.00 H new ATOM 0 HE2 MET A 56 -54.103 -7.930 20.174 1.00 20.00 H new ATOM 0 HE3 MET A 56 -55.503 -7.066 20.853 1.00 20.00 H new ATOM 1031 N ARG A 57 -59.746 -5.809 17.889 1.00 20.00 N ATOM 1032 CA ARG A 57 -60.395 -4.517 17.784 1.00 20.00 C ATOM 1033 C ARG A 57 -61.439 -4.389 18.892 1.00 20.00 C ATOM 1034 O ARG A 57 -61.860 -3.288 19.253 1.00 20.00 O ATOM 1035 CB ARG A 57 -61.036 -4.333 16.403 1.00 20.00 C ATOM 1036 CG ARG A 57 -61.419 -2.891 16.101 1.00 20.00 C ATOM 1037 CD ARG A 57 -60.197 -1.983 16.095 1.00 20.00 C ATOM 1038 NE ARG A 57 -60.555 -0.572 16.004 1.00 20.00 N ATOM 1039 CZ ARG A 57 -60.010 0.380 16.760 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -59.069 0.072 17.647 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -60.394 1.642 16.620 1.00 20.00 N ATOM 0 H ARG A 57 -60.108 -6.521 17.254 1.00 20.00 H new ATOM 0 HA ARG A 57 -59.648 -3.732 17.901 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -60.342 -4.684 15.639 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -61.926 -4.959 16.338 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -61.917 -2.840 15.133 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -62.133 -2.539 16.846 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -59.618 -2.151 17.003 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -59.555 -2.247 15.255 1.00 20.00 H new ATOM 0 HE ARG A 57 -61.263 -0.299 15.323 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -58.762 -0.895 17.750 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -58.654 0.803 18.224 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -61.108 1.885 15.933 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -59.976 2.370 17.200 1.00 20.00 H new ATOM 1055 N LYS A 58 -61.850 -5.534 19.423 1.00 20.00 N ATOM 1056 CA LYS A 58 -62.706 -5.576 20.597 1.00 20.00 C ATOM 1057 C LYS A 58 -61.840 -5.508 21.847 1.00 20.00 C ATOM 1058 O LYS A 58 -62.128 -4.757 22.780 1.00 20.00 O ATOM 1059 CB LYS A 58 -63.553 -6.854 20.603 1.00 20.00 C ATOM 1060 CG LYS A 58 -64.332 -7.065 21.893 1.00 20.00 C ATOM 1061 CD LYS A 58 -65.108 -8.371 21.872 1.00 20.00 C ATOM 1062 CE LYS A 58 -65.756 -8.658 23.218 1.00 20.00 C ATOM 1063 NZ LYS A 58 -66.686 -7.575 23.635 1.00 20.00 N ATOM 0 H LYS A 58 -61.601 -6.452 19.054 1.00 20.00 H new ATOM 0 HA LYS A 58 -63.385 -4.724 20.577 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -64.253 -6.820 19.768 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -62.901 -7.712 20.438 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -63.644 -7.064 22.738 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -65.021 -6.234 22.042 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -65.876 -8.326 21.100 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -64.438 -9.189 21.608 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -66.300 -9.601 23.164 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -64.981 -8.780 23.974 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -67.205 -7.872 24.486 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -66.143 -6.713 23.844 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -67.361 -7.382 22.867 1.00 20.00 H new ATOM 1077 N GLU A 59 -60.767 -6.291 21.848 1.00 20.00 N ATOM 1078 CA GLU A 59 -59.793 -6.258 22.926 1.00 20.00 C ATOM 1079 C GLU A 59 -58.904 -5.027 22.777 1.00 20.00 C ATOM 1080 O GLU A 59 -57.787 -5.109 22.265 1.00 20.00 O ATOM 1081 CB GLU A 59 -58.942 -7.535 22.932 1.00 20.00 C ATOM 1082 CG GLU A 59 -59.721 -8.792 23.289 1.00 20.00 C ATOM 1083 CD GLU A 59 -58.855 -10.038 23.300 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -57.989 -10.159 24.195 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -59.049 -10.915 22.434 1.00 20.00 O ATOM 0 H GLU A 59 -60.551 -6.959 21.108 1.00 20.00 H new ATOM 0 HA GLU A 59 -60.324 -6.203 23.876 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -58.492 -7.665 21.948 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -58.124 -7.412 23.642 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -60.178 -8.664 24.270 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -60.533 -8.926 22.574 1.00 20.00 H new ATOM 1092 N ARG A 60 -59.417 -3.882 23.217 1.00 20.00 N ATOM 1093 CA ARG A 60 -58.705 -2.615 23.084 1.00 20.00 C ATOM 1094 C ARG A 60 -57.523 -2.542 24.048 1.00 20.00 C ATOM 1095 O ARG A 60 -56.717 -1.614 23.993 1.00 20.00 O ATOM 1096 CB ARG A 60 -59.661 -1.438 23.308 1.00 20.00 C ATOM 1097 CG ARG A 60 -60.405 -1.492 24.632 1.00 20.00 C ATOM 1098 CD ARG A 60 -61.396 -0.345 24.760 1.00 20.00 C ATOM 1099 NE ARG A 60 -62.155 -0.414 26.009 1.00 20.00 N ATOM 1100 CZ ARG A 60 -63.363 0.128 26.178 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -63.946 0.791 25.184 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -63.986 0.007 27.344 1.00 20.00 N ATOM 0 H ARG A 60 -60.327 -3.806 23.671 1.00 20.00 H new ATOM 0 HA ARG A 60 -58.311 -2.554 22.070 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -59.094 -0.508 23.259 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -60.387 -1.413 22.495 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -60.933 -2.442 24.716 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -59.691 -1.451 25.454 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -60.861 0.603 24.713 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -62.085 -0.365 23.915 1.00 20.00 H new ATOM 0 HE ARG A 60 -61.736 -0.906 26.798 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -63.470 0.887 24.287 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -64.869 1.203 25.318 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -63.542 -0.500 28.110 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -64.909 0.421 27.474 1.00 20.00 H new ATOM 1116 N SER A 61 -57.428 -3.524 24.925 1.00 20.00 N ATOM 1117 CA SER A 61 -56.282 -3.667 25.800 1.00 20.00 C ATOM 1118 C SER A 61 -55.661 -5.038 25.554 1.00 20.00 C ATOM 1119 O SER A 61 -56.355 -5.965 25.131 1.00 20.00 O ATOM 1120 CB SER A 61 -56.709 -3.516 27.264 1.00 20.00 C ATOM 1121 OG SER A 61 -55.588 -3.504 28.134 1.00 20.00 O ATOM 0 H SER A 61 -58.141 -4.242 25.050 1.00 20.00 H new ATOM 0 HA SER A 61 -55.548 -2.889 25.589 1.00 20.00 H new ATOM 0 HB2 SER A 61 -57.275 -2.593 27.386 1.00 20.00 H new ATOM 0 HB3 SER A 61 -57.374 -4.336 27.537 1.00 20.00 H new ATOM 0 HG SER A 61 -55.894 -3.405 29.060 1.00 20.00 H new ATOM 1127 N LYS A 62 -54.365 -5.177 25.797 1.00 20.00 N ATOM 1128 CA LYS A 62 -53.687 -6.433 25.516 1.00 20.00 C ATOM 1129 C LYS A 62 -53.531 -7.245 26.799 1.00 20.00 C ATOM 1130 O LYS A 62 -52.910 -8.310 26.811 1.00 20.00 O ATOM 1131 CB LYS A 62 -52.324 -6.177 24.862 1.00 20.00 C ATOM 1132 CG LYS A 62 -51.755 -7.398 24.151 1.00 20.00 C ATOM 1133 CD LYS A 62 -50.431 -7.096 23.466 1.00 20.00 C ATOM 1134 CE LYS A 62 -49.339 -6.767 24.472 1.00 20.00 C ATOM 1135 NZ LYS A 62 -48.018 -6.577 23.819 1.00 20.00 N ATOM 0 H LYS A 62 -53.769 -4.445 26.183 1.00 20.00 H new ATOM 0 HA LYS A 62 -54.293 -7.008 24.816 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -52.421 -5.361 24.146 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -51.619 -5.849 25.626 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -51.614 -8.204 24.872 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -52.473 -7.753 23.411 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -50.127 -7.954 22.867 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -50.559 -6.258 22.781 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -49.608 -5.861 25.016 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -49.268 -7.570 25.206 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -47.303 -6.355 24.541 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -47.748 -7.449 23.321 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -48.077 -5.794 23.137 1.00 20.00 H new ATOM 1149 N GLN A 63 -54.104 -6.735 27.876 1.00 20.00 N ATOM 1150 CA GLN A 63 -54.086 -7.424 29.155 1.00 20.00 C ATOM 1151 C GLN A 63 -55.351 -7.090 29.933 1.00 20.00 C ATOM 1152 O GLN A 63 -56.340 -7.839 29.807 1.00 20.00 O ATOM 1153 CB GLN A 63 -52.838 -7.036 29.955 1.00 20.00 C ATOM 1154 CG GLN A 63 -52.703 -7.774 31.277 1.00 20.00 C ATOM 1155 CD GLN A 63 -51.391 -7.485 31.978 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -50.821 -6.400 31.844 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -50.894 -8.458 32.725 1.00 20.00 N ATOM 1158 OXT GLN A 63 -55.366 -6.061 30.639 1.00 20.00 O ATOM 0 H GLN A 63 -54.591 -5.839 27.889 1.00 20.00 H new ATOM 0 HA GLN A 63 -54.053 -8.500 28.981 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -51.954 -7.231 29.348 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -52.861 -5.964 30.149 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -53.529 -7.493 31.931 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -52.787 -8.846 31.100 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -51.396 -9.342 32.811 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -50.009 -8.324 33.215 1.00 20.00 H new TER 1167 GLN A 63