USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 489 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 ARG N :NH3+ -95:sc= 0.0274 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0214 X(o=-0.021,f=-0.00034) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.985 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.2) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 163:sc= -2.02! (180deg=-2.27!) USER MOD Single : A 42 THR OG1 : rot 93:sc= 0.0559 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00806 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -4.867 -17.081 7.788 1.00 0.00 N ATOM 2 CA ARG A 1 -5.805 -16.468 6.812 1.00 0.00 C ATOM 3 C ARG A 1 -6.869 -15.634 7.519 1.00 0.00 C ATOM 4 O ARG A 1 -7.269 -15.942 8.641 1.00 0.00 O ATOM 5 CB ARG A 1 -6.463 -17.586 6.001 1.00 0.00 C ATOM 6 CG ARG A 1 -7.072 -17.110 4.692 1.00 0.00 C ATOM 7 CD ARG A 1 -8.353 -17.862 4.365 1.00 0.00 C ATOM 8 NE ARG A 1 -9.448 -16.956 4.026 1.00 0.00 N ATOM 9 CZ ARG A 1 -10.159 -16.282 4.927 1.00 0.00 C ATOM 10 NH1 ARG A 1 -9.894 -16.409 6.221 1.00 0.00 N ATOM 11 NH2 ARG A 1 -11.137 -15.478 4.532 1.00 0.00 N ATOM 0 H1 ARG A 1 -4.029 -16.474 7.892 1.00 0.00 H new ATOM 0 H2 ARG A 1 -5.340 -17.179 8.709 1.00 0.00 H new ATOM 0 H3 ARG A 1 -4.575 -18.019 7.447 1.00 0.00 H new ATOM 0 HA ARG A 1 -5.250 -15.801 6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -5.720 -18.355 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -7.241 -18.053 6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -7.282 -16.042 4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -6.353 -17.247 3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.172 -18.540 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -8.641 -18.476 5.219 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.681 -16.833 3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -9.142 -17.025 6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -10.442 -15.890 6.907 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -11.344 -15.377 3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -11.682 -14.961 5.222 1.00 0.00 H new ATOM 27 N ARG A 2 -7.324 -14.577 6.854 1.00 0.00 N ATOM 28 CA ARG A 2 -8.342 -13.699 7.418 1.00 0.00 C ATOM 29 C ARG A 2 -9.055 -12.917 6.320 1.00 0.00 C ATOM 30 O ARG A 2 -10.278 -12.983 6.191 1.00 0.00 O ATOM 31 CB ARG A 2 -7.711 -12.734 8.426 1.00 0.00 C ATOM 32 CG ARG A 2 -8.430 -12.700 9.766 1.00 0.00 C ATOM 33 CD ARG A 2 -9.323 -11.475 9.893 1.00 0.00 C ATOM 34 NE ARG A 2 -9.048 -10.721 11.113 1.00 0.00 N ATOM 35 CZ ARG A 2 -7.993 -9.925 11.270 1.00 0.00 C ATOM 36 NH1 ARG A 2 -7.113 -9.775 10.287 1.00 0.00 N ATOM 37 NH2 ARG A 2 -7.817 -9.275 12.413 1.00 0.00 N ATOM 0 H ARG A 2 -7.004 -14.308 5.924 1.00 0.00 H new ATOM 0 HA ARG A 2 -9.078 -14.318 7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.671 -13.019 8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.704 -11.730 8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.031 -13.602 9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.697 -12.702 10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.177 -10.829 9.027 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.368 -11.786 9.887 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.703 -10.810 11.890 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.244 -10.271 9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.306 -9.163 10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.490 -9.385 13.171 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.008 -8.665 12.533 1.00 0.00 H new ATOM 51 N ARG A 3 -8.284 -12.177 5.530 1.00 0.00 N ATOM 52 CA ARG A 3 -8.843 -11.382 4.442 1.00 0.00 C ATOM 53 C ARG A 3 -8.421 -11.942 3.087 1.00 0.00 C ATOM 54 O ARG A 3 -7.889 -13.049 3.000 1.00 0.00 O ATOM 55 CB ARG A 3 -8.398 -9.922 4.563 1.00 0.00 C ATOM 56 CG ARG A 3 -8.390 -9.400 5.991 1.00 0.00 C ATOM 57 CD ARG A 3 -8.922 -7.978 6.072 1.00 0.00 C ATOM 58 NE ARG A 3 -7.844 -6.990 6.106 1.00 0.00 N ATOM 59 CZ ARG A 3 -7.298 -6.444 5.021 1.00 0.00 C ATOM 60 NH1 ARG A 3 -7.716 -6.788 3.809 1.00 0.00 N ATOM 61 NH2 ARG A 3 -6.326 -5.551 5.148 1.00 0.00 N ATOM 0 H ARG A 3 -7.270 -12.111 5.623 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.930 -11.430 4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.397 -9.821 4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.060 -9.299 3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.996 -10.052 6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.374 -9.432 6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.566 -7.783 5.214 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.539 -7.872 6.964 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.488 -6.701 7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.462 -7.476 3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.292 -6.364 2.984 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.998 -5.283 6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.907 -5.132 4.318 1.00 0.00 H new ATOM 75 N HIS A 4 -8.662 -11.170 2.032 1.00 0.00 N ATOM 76 CA HIS A 4 -8.307 -11.590 0.681 1.00 0.00 C ATOM 77 C HIS A 4 -7.310 -10.620 0.054 1.00 0.00 C ATOM 78 O HIS A 4 -7.696 -9.681 -0.643 1.00 0.00 O ATOM 79 CB HIS A 4 -9.560 -11.685 -0.191 1.00 0.00 C ATOM 80 CG HIS A 4 -10.338 -12.947 0.017 1.00 0.00 C ATOM 81 ND1 HIS A 4 -11.019 -13.229 1.183 1.00 0.00 N ATOM 82 CD2 HIS A 4 -10.542 -14.008 -0.800 1.00 0.00 C ATOM 83 CE1 HIS A 4 -11.607 -14.407 1.074 1.00 0.00 C ATOM 84 NE2 HIS A 4 -11.333 -14.900 -0.120 1.00 0.00 N ATOM 0 H HIS A 4 -9.101 -10.251 2.086 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.840 -12.573 0.744 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -10.205 -10.831 0.019 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -9.270 -11.615 -1.239 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -10.154 -14.129 -1.801 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -12.209 -14.885 1.832 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -11.657 -15.798 -0.479 1.00 0.00 H new ATOM 93 N ILE A 5 -6.026 -10.854 0.307 1.00 0.00 N ATOM 94 CA ILE A 5 -4.973 -10.002 -0.232 1.00 0.00 C ATOM 95 C ILE A 5 -3.634 -10.732 -0.254 1.00 0.00 C ATOM 96 O ILE A 5 -3.228 -11.333 0.741 1.00 0.00 O ATOM 97 CB ILE A 5 -4.823 -8.706 0.587 1.00 0.00 C ATOM 98 CG1 ILE A 5 -4.735 -9.027 2.080 1.00 0.00 C ATOM 99 CG2 ILE A 5 -5.985 -7.765 0.309 1.00 0.00 C ATOM 100 CD1 ILE A 5 -3.772 -8.136 2.835 1.00 0.00 C ATOM 0 H ILE A 5 -5.690 -11.627 0.882 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.264 -9.747 -1.251 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.900 -8.210 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.727 -8.933 2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.428 -10.066 2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.864 -6.854 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.004 -7.514 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.921 -8.252 0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.761 -8.421 3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.771 -8.247 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.090 -7.097 2.744 1.00 0.00 H new ATOM 112 N VAL A 6 -2.953 -10.674 -1.393 1.00 0.00 N ATOM 113 CA VAL A 6 -1.660 -11.330 -1.545 1.00 0.00 C ATOM 114 C VAL A 6 -0.640 -10.766 -0.559 1.00 0.00 C ATOM 115 O VAL A 6 -0.182 -9.633 -0.704 1.00 0.00 O ATOM 116 CB VAL A 6 -1.120 -11.179 -2.981 1.00 0.00 C ATOM 117 CG1 VAL A 6 -0.925 -9.712 -3.331 1.00 0.00 C ATOM 118 CG2 VAL A 6 0.180 -11.953 -3.150 1.00 0.00 C ATOM 0 H VAL A 6 -3.275 -10.179 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.812 -12.389 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.856 -11.596 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.543 -9.628 -4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.879 -9.190 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.212 -9.264 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.545 -11.834 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.924 -11.571 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.003 -13.010 -2.949 1.00 0.00 H new ATOM 128 N ARG A 7 -0.294 -11.564 0.445 1.00 0.00 N ATOM 129 CA ARG A 7 0.669 -11.145 1.460 1.00 0.00 C ATOM 130 C ARG A 7 1.881 -12.074 1.493 1.00 0.00 C ATOM 131 O ARG A 7 3.012 -11.625 1.677 1.00 0.00 O ATOM 132 CB ARG A 7 0.005 -11.111 2.838 1.00 0.00 C ATOM 133 CG ARG A 7 -0.509 -12.466 3.300 1.00 0.00 C ATOM 134 CD ARG A 7 -1.599 -12.322 4.351 1.00 0.00 C ATOM 135 NE ARG A 7 -2.810 -13.054 3.987 1.00 0.00 N ATOM 136 CZ ARG A 7 -4.001 -12.838 4.540 1.00 0.00 C ATOM 137 NH1 ARG A 7 -4.145 -11.915 5.483 1.00 0.00 N ATOM 138 NH2 ARG A 7 -5.051 -13.547 4.150 1.00 0.00 N ATOM 0 H ARG A 7 -0.665 -12.505 0.579 1.00 0.00 H new ATOM 0 HA ARG A 7 1.013 -10.144 1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.722 -10.735 3.568 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.826 -10.405 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.898 -13.019 2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.316 -13.049 3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.229 -12.687 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.839 -11.267 4.483 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.738 -13.773 3.267 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.340 -11.367 5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.060 -11.754 5.903 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.946 -14.258 3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.964 -13.382 4.574 1.00 0.00 H new ATOM 152 N LYS A 8 1.640 -13.370 1.322 1.00 0.00 N ATOM 153 CA LYS A 8 2.714 -14.357 1.340 1.00 0.00 C ATOM 154 C LYS A 8 3.764 -14.060 0.272 1.00 0.00 C ATOM 155 O LYS A 8 4.945 -13.911 0.579 1.00 0.00 O ATOM 156 CB LYS A 8 2.144 -15.761 1.131 1.00 0.00 C ATOM 157 CG LYS A 8 1.523 -16.357 2.384 1.00 0.00 C ATOM 158 CD LYS A 8 0.738 -17.620 2.069 1.00 0.00 C ATOM 159 CE LYS A 8 -0.406 -17.339 1.110 1.00 0.00 C ATOM 160 NZ LYS A 8 -1.486 -18.359 1.219 1.00 0.00 N ATOM 0 H LYS A 8 0.710 -13.761 1.169 1.00 0.00 H new ATOM 0 HA LYS A 8 3.198 -14.303 2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.391 -15.725 0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.940 -16.419 0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.306 -16.585 3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.864 -15.624 2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.404 -18.365 1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.344 -18.045 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.818 -16.351 1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.027 -17.320 0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.248 -18.131 0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.100 -19.299 0.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.866 -18.360 2.187 1.00 0.00 H new ATOM 174 N ARG A 9 3.333 -13.991 -0.984 1.00 0.00 N ATOM 175 CA ARG A 9 4.248 -13.726 -2.091 1.00 0.00 C ATOM 176 C ARG A 9 4.621 -12.247 -2.173 1.00 0.00 C ATOM 177 O ARG A 9 5.615 -11.887 -2.803 1.00 0.00 O ATOM 178 CB ARG A 9 3.623 -14.176 -3.412 1.00 0.00 C ATOM 179 CG ARG A 9 3.626 -15.684 -3.604 1.00 0.00 C ATOM 180 CD ARG A 9 2.546 -16.353 -2.770 1.00 0.00 C ATOM 181 NE ARG A 9 2.319 -17.738 -3.178 1.00 0.00 N ATOM 182 CZ ARG A 9 1.221 -18.428 -2.880 1.00 0.00 C ATOM 183 NH1 ARG A 9 0.249 -17.868 -2.171 1.00 0.00 N ATOM 184 NH2 ARG A 9 1.094 -19.682 -3.293 1.00 0.00 N ATOM 0 H ARG A 9 2.359 -14.114 -1.261 1.00 0.00 H new ATOM 0 HA ARG A 9 5.160 -14.294 -1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.596 -13.814 -3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.164 -13.712 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.471 -15.918 -4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.601 -16.085 -3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.832 -16.327 -1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.617 -15.791 -2.862 1.00 0.00 H new ATOM 0 HE ARG A 9 3.045 -18.203 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.341 -16.904 -1.851 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.590 -18.402 -1.946 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.838 -20.117 -3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.253 -20.211 -3.065 1.00 0.00 H new ATOM 198 N THR A 10 3.823 -11.392 -1.541 1.00 0.00 N ATOM 199 CA THR A 10 4.082 -9.958 -1.557 1.00 0.00 C ATOM 200 C THR A 10 5.329 -9.621 -0.744 1.00 0.00 C ATOM 201 O THR A 10 6.230 -8.937 -1.228 1.00 0.00 O ATOM 202 CB THR A 10 2.862 -9.189 -1.029 1.00 0.00 C ATOM 203 OG1 THR A 10 2.581 -8.074 -1.855 1.00 0.00 O ATOM 204 CG2 THR A 10 3.014 -8.677 0.391 1.00 0.00 C ATOM 0 H THR A 10 2.994 -11.667 -1.013 1.00 0.00 H new ATOM 0 HA THR A 10 4.262 -9.653 -2.588 1.00 0.00 H new ATOM 0 HB THR A 10 2.051 -9.917 -1.039 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.800 -7.596 -1.505 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.109 -8.146 0.685 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.177 -9.518 1.065 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.866 -7.999 0.444 1.00 0.00 H new ATOM 212 N LEU A 11 5.376 -10.104 0.497 1.00 0.00 N ATOM 213 CA LEU A 11 6.515 -9.846 1.370 1.00 0.00 C ATOM 214 C LEU A 11 7.821 -10.201 0.671 1.00 0.00 C ATOM 215 O LEU A 11 8.877 -9.659 0.997 1.00 0.00 O ATOM 216 CB LEU A 11 6.387 -10.632 2.679 1.00 0.00 C ATOM 217 CG LEU A 11 6.028 -12.111 2.524 1.00 0.00 C ATOM 218 CD1 LEU A 11 7.164 -12.872 1.857 1.00 0.00 C ATOM 219 CD2 LEU A 11 5.699 -12.721 3.879 1.00 0.00 C ATOM 0 H LEU A 11 4.641 -10.673 0.917 1.00 0.00 H new ATOM 0 HA LEU A 11 6.523 -8.782 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.330 -10.559 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.627 -10.154 3.297 1.00 0.00 H new ATOM 0 HG LEU A 11 5.147 -12.187 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.889 -13.922 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.354 -12.450 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.064 -12.790 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.446 -13.774 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.563 -12.633 4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.852 -12.194 4.319 1.00 0.00 H new ATOM 231 N ARG A 12 7.741 -11.108 -0.297 1.00 0.00 N ATOM 232 CA ARG A 12 8.917 -11.521 -1.040 1.00 0.00 C ATOM 233 C ARG A 12 9.504 -10.339 -1.802 1.00 0.00 C ATOM 234 O ARG A 12 10.721 -10.205 -1.920 1.00 0.00 O ATOM 235 CB ARG A 12 8.569 -12.660 -2.003 1.00 0.00 C ATOM 236 CG ARG A 12 9.193 -13.992 -1.617 1.00 0.00 C ATOM 237 CD ARG A 12 8.185 -15.129 -1.703 1.00 0.00 C ATOM 238 NE ARG A 12 7.735 -15.562 -0.382 1.00 0.00 N ATOM 239 CZ ARG A 12 8.435 -16.369 0.413 1.00 0.00 C ATOM 240 NH1 ARG A 12 9.618 -16.831 0.026 1.00 0.00 N ATOM 241 NH2 ARG A 12 7.951 -16.714 1.598 1.00 0.00 N ATOM 0 H ARG A 12 6.876 -11.567 -0.582 1.00 0.00 H new ATOM 0 HA ARG A 12 9.664 -11.883 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.486 -12.773 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.899 -12.390 -3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.037 -14.203 -2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.586 -13.930 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.326 -14.808 -2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.634 -15.972 -2.228 1.00 0.00 H new ATOM 0 HE ARG A 12 6.831 -15.226 -0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.995 -16.568 -0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.150 -17.449 0.639 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.043 -16.361 1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.487 -17.332 2.207 1.00 0.00 H new ATOM 255 N ARG A 13 8.627 -9.471 -2.297 1.00 0.00 N ATOM 256 CA ARG A 13 9.057 -8.286 -3.025 1.00 0.00 C ATOM 257 C ARG A 13 9.569 -7.237 -2.040 1.00 0.00 C ATOM 258 O ARG A 13 10.493 -6.480 -2.338 1.00 0.00 O ATOM 259 CB ARG A 13 7.901 -7.730 -3.870 1.00 0.00 C ATOM 260 CG ARG A 13 6.910 -6.870 -3.094 1.00 0.00 C ATOM 261 CD ARG A 13 5.472 -7.179 -3.484 1.00 0.00 C ATOM 262 NE ARG A 13 4.805 -6.023 -4.078 1.00 0.00 N ATOM 263 CZ ARG A 13 4.290 -5.020 -3.370 1.00 0.00 C ATOM 264 NH1 ARG A 13 4.368 -5.025 -2.045 1.00 0.00 N ATOM 265 NH2 ARG A 13 3.696 -4.009 -3.989 1.00 0.00 N ATOM 0 H ARG A 13 7.616 -9.567 -2.206 1.00 0.00 H new ATOM 0 HA ARG A 13 9.868 -8.553 -3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.316 -7.138 -4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.364 -8.564 -4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.041 -7.038 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.119 -5.816 -3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.459 -8.008 -4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.919 -7.503 -2.602 1.00 0.00 H new ATOM 0 HE ARG A 13 4.729 -5.982 -5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.824 -5.800 -1.564 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.972 -4.254 -1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.634 -4.000 -5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.301 -3.240 -3.447 1.00 0.00 H new ATOM 279 N LEU A 14 8.959 -7.220 -0.859 1.00 0.00 N ATOM 280 CA LEU A 14 9.341 -6.288 0.194 1.00 0.00 C ATOM 281 C LEU A 14 10.715 -6.648 0.753 1.00 0.00 C ATOM 282 O LEU A 14 11.608 -5.803 0.826 1.00 0.00 O ATOM 283 CB LEU A 14 8.296 -6.296 1.314 1.00 0.00 C ATOM 284 CG LEU A 14 7.653 -4.937 1.608 1.00 0.00 C ATOM 285 CD1 LEU A 14 6.139 -5.066 1.686 1.00 0.00 C ATOM 286 CD2 LEU A 14 8.206 -4.353 2.900 1.00 0.00 C ATOM 0 H LEU A 14 8.194 -7.845 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 14 9.391 -5.286 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.510 -7.004 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.766 -6.664 2.226 1.00 0.00 H new ATOM 0 HG LEU A 14 7.898 -4.258 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.701 -4.090 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.756 -5.439 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.874 -5.761 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.738 -3.388 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.993 -5.031 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.284 -4.221 2.808 1.00 0.00 H new ATOM 298 N LEU A 15 10.878 -7.910 1.143 1.00 0.00 N ATOM 299 CA LEU A 15 12.142 -8.387 1.690 1.00 0.00 C ATOM 300 C LEU A 15 13.262 -8.268 0.660 1.00 0.00 C ATOM 301 O LEU A 15 14.432 -8.121 1.014 1.00 0.00 O ATOM 302 CB LEU A 15 12.006 -9.841 2.146 1.00 0.00 C ATOM 303 CG LEU A 15 10.835 -10.113 3.092 1.00 0.00 C ATOM 304 CD1 LEU A 15 10.286 -11.514 2.873 1.00 0.00 C ATOM 305 CD2 LEU A 15 11.266 -9.926 4.539 1.00 0.00 C ATOM 0 H LEU A 15 10.148 -8.620 1.090 1.00 0.00 H new ATOM 0 HA LEU A 15 12.396 -7.765 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.897 -10.474 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.930 -10.139 2.641 1.00 0.00 H new ATOM 0 HG LEU A 15 10.042 -9.397 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.454 -11.689 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.939 -11.612 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.071 -12.246 3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.421 -10.123 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.076 -10.618 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.610 -8.902 4.687 1.00 0.00 H new ATOM 317 N GLN A 16 12.894 -8.332 -0.616 1.00 0.00 N ATOM 318 CA GLN A 16 13.864 -8.231 -1.699 1.00 0.00 C ATOM 319 C GLN A 16 14.075 -6.777 -2.119 1.00 0.00 C ATOM 320 O GLN A 16 15.082 -6.444 -2.745 1.00 0.00 O ATOM 321 CB GLN A 16 13.401 -9.057 -2.900 1.00 0.00 C ATOM 322 CG GLN A 16 13.838 -10.512 -2.843 1.00 0.00 C ATOM 323 CD GLN A 16 15.132 -10.763 -3.593 1.00 0.00 C ATOM 324 OE1 GLN A 16 16.200 -10.309 -3.180 1.00 0.00 O ATOM 325 NE2 GLN A 16 15.043 -11.489 -4.701 1.00 0.00 N ATOM 0 H GLN A 16 11.929 -8.454 -0.925 1.00 0.00 H new ATOM 0 HA GLN A 16 14.814 -8.623 -1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.314 -9.015 -2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.790 -8.605 -3.813 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.963 -10.809 -1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.052 -11.140 -3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.137 -11.845 -5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.880 -11.691 -5.247 1.00 0.00 H new ATOM 334 N GLU A 17 13.121 -5.916 -1.774 1.00 0.00 N ATOM 335 CA GLU A 17 13.207 -4.501 -2.120 1.00 0.00 C ATOM 336 C GLU A 17 13.957 -3.705 -1.051 1.00 0.00 C ATOM 337 O GLU A 17 13.918 -2.475 -1.046 1.00 0.00 O ATOM 338 CB GLU A 17 11.805 -3.918 -2.309 1.00 0.00 C ATOM 339 CG GLU A 17 11.295 -4.010 -3.738 1.00 0.00 C ATOM 340 CD GLU A 17 9.796 -3.803 -3.835 1.00 0.00 C ATOM 341 OE1 GLU A 17 9.044 -4.694 -3.389 1.00 0.00 O ATOM 342 OE2 GLU A 17 9.375 -2.749 -4.357 1.00 0.00 O ATOM 0 H GLU A 17 12.281 -6.173 -1.256 1.00 0.00 H new ATOM 0 HA GLU A 17 13.764 -4.423 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.111 -4.441 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.811 -2.872 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.802 -3.264 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.551 -4.986 -4.149 1.00 0.00 H new ATOM 349 N ARG A 18 14.638 -4.406 -0.148 1.00 0.00 N ATOM 350 CA ARG A 18 15.389 -3.749 0.916 1.00 0.00 C ATOM 351 C ARG A 18 16.693 -3.154 0.387 1.00 0.00 C ATOM 352 O ARG A 18 17.348 -2.370 1.074 1.00 0.00 O ATOM 353 CB ARG A 18 15.685 -4.738 2.045 1.00 0.00 C ATOM 354 CG ARG A 18 16.612 -5.872 1.638 1.00 0.00 C ATOM 355 CD ARG A 18 17.168 -6.602 2.852 1.00 0.00 C ATOM 356 NE ARG A 18 17.075 -8.053 2.708 1.00 0.00 N ATOM 357 CZ ARG A 18 17.933 -8.785 2.002 1.00 0.00 C ATOM 358 NH1 ARG A 18 18.949 -8.208 1.373 1.00 0.00 N ATOM 359 NH2 ARG A 18 17.774 -10.099 1.924 1.00 0.00 N ATOM 0 H ARG A 18 14.685 -5.425 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 18 14.777 -2.935 1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 18 16.131 -4.199 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.745 -5.159 2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.071 -6.576 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.434 -5.475 1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.210 -6.318 3.000 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.623 -6.290 3.743 1.00 0.00 H new ATOM 0 HE ARG A 18 16.307 -8.533 3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.076 -7.197 1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.603 -8.775 0.834 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.994 -10.548 2.405 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.431 -10.661 1.383 1.00 0.00 H new ATOM 373 N GLU A 19 17.068 -3.530 -0.834 1.00 0.00 N ATOM 374 CA GLU A 19 18.295 -3.028 -1.442 1.00 0.00 C ATOM 375 C GLU A 19 17.992 -2.150 -2.653 1.00 0.00 C ATOM 376 O GLU A 19 18.814 -2.026 -3.560 1.00 0.00 O ATOM 377 CB GLU A 19 19.193 -4.194 -1.859 1.00 0.00 C ATOM 378 CG GLU A 19 20.671 -3.844 -1.886 1.00 0.00 C ATOM 379 CD GLU A 19 21.192 -3.619 -3.292 1.00 0.00 C ATOM 380 OE1 GLU A 19 21.291 -4.604 -4.053 1.00 0.00 O ATOM 381 OE2 GLU A 19 21.502 -2.458 -3.632 1.00 0.00 O ATOM 0 H GLU A 19 16.541 -4.178 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 19 18.813 -2.421 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.038 -5.025 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.892 -4.538 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 19 20.839 -2.945 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 19 21.239 -4.647 -1.416 1.00 0.00 H new ATOM 388 N LEU A 20 16.809 -1.542 -2.662 1.00 0.00 N ATOM 389 CA LEU A 20 16.407 -0.676 -3.764 1.00 0.00 C ATOM 390 C LEU A 20 15.409 0.377 -3.292 1.00 0.00 C ATOM 391 O LEU A 20 15.768 1.535 -3.077 1.00 0.00 O ATOM 392 CB LEU A 20 15.798 -1.507 -4.896 1.00 0.00 C ATOM 393 CG LEU A 20 16.789 -1.958 -5.972 1.00 0.00 C ATOM 394 CD1 LEU A 20 16.423 -3.340 -6.490 1.00 0.00 C ATOM 395 CD2 LEU A 20 16.829 -0.952 -7.112 1.00 0.00 C ATOM 0 H LEU A 20 16.114 -1.633 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 20 17.295 -0.165 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.326 -2.390 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.009 -0.924 -5.371 1.00 0.00 H new ATOM 0 HG LEU A 20 17.782 -2.012 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.139 -3.644 -7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.446 -4.055 -5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.422 -3.314 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.538 -1.287 -7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.838 -0.866 -7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.140 0.020 -6.729 1.00 0.00 H new ATOM 407 N VAL A 21 14.155 -0.032 -3.131 1.00 0.00 N ATOM 408 CA VAL A 21 13.106 0.875 -2.684 1.00 0.00 C ATOM 409 C VAL A 21 12.700 0.574 -1.245 1.00 0.00 C ATOM 410 O VAL A 21 11.854 -0.285 -0.996 1.00 0.00 O ATOM 411 CB VAL A 21 11.860 0.789 -3.586 1.00 0.00 C ATOM 412 CG1 VAL A 21 12.030 1.667 -4.816 1.00 0.00 C ATOM 413 CG2 VAL A 21 11.576 -0.652 -3.985 1.00 0.00 C ATOM 0 H VAL A 21 13.841 -0.987 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 21 13.515 1.884 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 21 11.004 1.155 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.140 1.593 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 21 12.172 2.703 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.900 1.335 -5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.692 -0.686 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.430 -1.054 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.402 -1.250 -3.090 1.00 0.00 H new ATOM 423 N GLU A 22 13.308 1.287 -0.302 1.00 0.00 N ATOM 424 CA GLU A 22 13.010 1.099 1.114 1.00 0.00 C ATOM 425 C GLU A 22 13.889 2.000 1.981 1.00 0.00 C ATOM 426 O GLU A 22 13.385 2.758 2.809 1.00 0.00 O ATOM 427 CB GLU A 22 13.208 -0.367 1.512 1.00 0.00 C ATOM 428 CG GLU A 22 11.905 -1.130 1.691 1.00 0.00 C ATOM 429 CD GLU A 22 11.672 -1.559 3.127 1.00 0.00 C ATOM 430 OE1 GLU A 22 11.126 -0.751 3.907 1.00 0.00 O ATOM 431 OE2 GLU A 22 12.036 -2.703 3.471 1.00 0.00 O ATOM 0 H GLU A 22 14.011 2.001 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 22 11.968 1.373 1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.809 -0.864 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.775 -0.409 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.074 -0.505 1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.913 -2.011 1.049 1.00 0.00 H new ATOM 438 N PRO A 23 15.221 1.930 1.802 1.00 0.00 N ATOM 439 CA PRO A 23 16.163 2.746 2.577 1.00 0.00 C ATOM 440 C PRO A 23 15.831 4.233 2.512 1.00 0.00 C ATOM 441 O PRO A 23 15.577 4.867 3.536 1.00 0.00 O ATOM 442 CB PRO A 23 17.512 2.469 1.908 1.00 0.00 C ATOM 443 CG PRO A 23 17.351 1.134 1.268 1.00 0.00 C ATOM 444 CD PRO A 23 15.913 1.054 0.838 1.00 0.00 C ATOM 0 HA PRO A 23 16.140 2.495 3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 23 17.753 3.235 1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 23 18.322 2.463 2.638 1.00 0.00 H new ATOM 0 HG2 PRO A 23 18.020 1.027 0.414 1.00 0.00 H new ATOM 0 HG3 PRO A 23 17.595 0.334 1.967 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.780 1.400 -0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.537 0.032 0.881 1.00 0.00 H new ATOM 452 N LEU A 24 15.837 4.785 1.302 1.00 0.00 N ATOM 453 CA LEU A 24 15.537 6.199 1.106 1.00 0.00 C ATOM 454 C LEU A 24 14.185 6.382 0.424 1.00 0.00 C ATOM 455 O LEU A 24 13.475 7.353 0.684 1.00 0.00 O ATOM 456 CB LEU A 24 16.634 6.865 0.274 1.00 0.00 C ATOM 457 CG LEU A 24 16.876 6.240 -1.101 1.00 0.00 C ATOM 458 CD1 LEU A 24 17.344 7.295 -2.092 1.00 0.00 C ATOM 459 CD2 LEU A 24 17.890 5.110 -1.002 1.00 0.00 C ATOM 0 H LEU A 24 16.046 4.275 0.444 1.00 0.00 H new ATOM 0 HA LEU A 24 15.495 6.673 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.378 7.916 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 24 17.566 6.834 0.839 1.00 0.00 H new ATOM 0 HG LEU A 24 15.935 5.825 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.511 6.832 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 24 16.583 8.070 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.274 7.740 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.050 4.677 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.833 5.500 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.514 4.342 -0.326 1.00 0.00 H new ATOM 471 N THR A 25 13.836 5.444 -0.450 1.00 0.00 N ATOM 472 CA THR A 25 12.570 5.504 -1.171 1.00 0.00 C ATOM 473 C THR A 25 11.507 4.650 -0.479 1.00 0.00 C ATOM 474 O THR A 25 11.584 3.421 -0.493 1.00 0.00 O ATOM 475 CB THR A 25 12.761 5.031 -2.613 1.00 0.00 C ATOM 476 OG1 THR A 25 13.816 4.090 -2.697 1.00 0.00 O ATOM 477 CG2 THR A 25 13.074 6.158 -3.574 1.00 0.00 C ATOM 0 H THR A 25 14.412 4.633 -0.676 1.00 0.00 H new ATOM 0 HA THR A 25 12.230 6.540 -1.176 1.00 0.00 H new ATOM 0 HB THR A 25 11.809 4.583 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.921 3.798 -3.627 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.198 5.755 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.255 6.878 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.995 6.654 -3.266 1.00 0.00 H new ATOM 485 N PRO A 26 10.497 5.288 0.141 1.00 0.00 N ATOM 486 CA PRO A 26 9.422 4.573 0.840 1.00 0.00 C ATOM 487 C PRO A 26 8.665 3.622 -0.081 1.00 0.00 C ATOM 488 O PRO A 26 8.665 2.409 0.130 1.00 0.00 O ATOM 489 CB PRO A 26 8.495 5.692 1.330 1.00 0.00 C ATOM 490 CG PRO A 26 9.341 6.919 1.338 1.00 0.00 C ATOM 491 CD PRO A 26 10.322 6.749 0.214 1.00 0.00 C ATOM 0 HA PRO A 26 9.811 3.947 1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.636 5.810 0.670 1.00 0.00 H new ATOM 0 HB3 PRO A 26 8.106 5.475 2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.734 7.813 1.195 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.856 7.032 2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.938 7.156 -0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.264 7.258 0.420 1.00 0.00 H new ATOM 499 N SER A 27 8.018 4.179 -1.100 1.00 0.00 N ATOM 500 CA SER A 27 7.255 3.377 -2.051 1.00 0.00 C ATOM 501 C SER A 27 7.802 3.535 -3.466 1.00 0.00 C ATOM 502 O SER A 27 7.871 2.569 -4.225 1.00 0.00 O ATOM 503 CB SER A 27 5.778 3.776 -2.016 1.00 0.00 C ATOM 504 OG SER A 27 5.096 3.116 -0.963 1.00 0.00 O ATOM 0 H SER A 27 8.007 5.181 -1.289 1.00 0.00 H new ATOM 0 HA SER A 27 7.351 2.331 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.693 4.855 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.309 3.529 -2.968 1.00 0.00 H new ATOM 0 HG SER A 27 4.155 3.389 -0.961 1.00 0.00 H new ATOM 510 N GLY A 28 8.188 4.758 -3.816 1.00 0.00 N ATOM 511 CA GLY A 28 8.722 5.014 -5.140 1.00 0.00 C ATOM 512 C GLY A 28 9.484 6.322 -5.215 1.00 0.00 C ATOM 513 O GLY A 28 10.572 6.447 -4.652 1.00 0.00 O ATOM 0 H GLY A 28 8.140 5.575 -3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.382 4.195 -5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.905 5.031 -5.861 1.00 0.00 H new ATOM 517 N GLU A 29 8.913 7.299 -5.911 1.00 0.00 N ATOM 518 CA GLU A 29 9.548 8.604 -6.055 1.00 0.00 C ATOM 519 C GLU A 29 9.557 9.354 -4.726 1.00 0.00 C ATOM 520 O GLU A 29 10.520 10.049 -4.401 1.00 0.00 O ATOM 521 CB GLU A 29 8.825 9.431 -7.122 1.00 0.00 C ATOM 522 CG GLU A 29 9.747 9.960 -8.209 1.00 0.00 C ATOM 523 CD GLU A 29 10.763 10.953 -7.680 1.00 0.00 C ATOM 524 OE1 GLU A 29 10.347 12.015 -7.171 1.00 0.00 O ATOM 525 OE2 GLU A 29 11.976 10.668 -7.774 1.00 0.00 O ATOM 0 H GLU A 29 8.013 7.212 -6.384 1.00 0.00 H new ATOM 0 HA GLU A 29 10.580 8.447 -6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.049 8.818 -7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.324 10.271 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.270 9.125 -8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.150 10.436 -8.987 1.00 0.00 H new ATOM 532 N ALA A 30 8.479 9.207 -3.961 1.00 0.00 N ATOM 533 CA ALA A 30 8.362 9.869 -2.666 1.00 0.00 C ATOM 534 C ALA A 30 7.011 9.575 -2.017 1.00 0.00 C ATOM 535 O ALA A 30 6.077 9.129 -2.684 1.00 0.00 O ATOM 536 CB ALA A 30 8.557 11.371 -2.818 1.00 0.00 C ATOM 0 H ALA A 30 7.674 8.635 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 30 9.143 9.475 -2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.467 11.850 -1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.547 11.570 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.798 11.770 -3.490 1.00 0.00 H new ATOM 542 N PRO A 31 6.888 9.827 -0.702 1.00 0.00 N ATOM 543 CA PRO A 31 5.641 9.591 0.032 1.00 0.00 C ATOM 544 C PRO A 31 4.542 10.562 -0.382 1.00 0.00 C ATOM 545 O PRO A 31 3.365 10.209 -0.409 1.00 0.00 O ATOM 546 CB PRO A 31 6.036 9.820 1.493 1.00 0.00 C ATOM 547 CG PRO A 31 7.215 10.728 1.430 1.00 0.00 C ATOM 548 CD PRO A 31 7.950 10.366 0.169 1.00 0.00 C ATOM 0 HA PRO A 31 5.235 8.598 -0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.220 10.270 2.058 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.286 8.881 1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.903 11.772 1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.853 10.600 2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.434 11.235 -0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.730 9.628 0.356 1.00 0.00 H new ATOM 556 N ASN A 32 4.943 11.789 -0.707 1.00 0.00 N ATOM 557 CA ASN A 32 4.012 12.833 -1.129 1.00 0.00 C ATOM 558 C ASN A 32 2.977 12.295 -2.115 1.00 0.00 C ATOM 559 O ASN A 32 1.814 12.697 -2.087 1.00 0.00 O ATOM 560 CB ASN A 32 4.779 13.993 -1.766 1.00 0.00 C ATOM 561 CG ASN A 32 5.914 14.486 -0.890 1.00 0.00 C ATOM 562 OD1 ASN A 32 7.046 14.639 -1.349 1.00 0.00 O ATOM 563 ND2 ASN A 32 5.617 14.737 0.380 1.00 0.00 N ATOM 0 H ASN A 32 5.918 12.087 -0.685 1.00 0.00 H new ATOM 0 HA ASN A 32 3.484 13.186 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.179 13.675 -2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.091 14.816 -1.962 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.341 15.070 1.017 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.665 14.596 0.719 1.00 0.00 H new ATOM 570 N GLN A 33 3.406 11.386 -2.985 1.00 0.00 N ATOM 571 CA GLN A 33 2.509 10.801 -3.975 1.00 0.00 C ATOM 572 C GLN A 33 1.705 9.652 -3.375 1.00 0.00 C ATOM 573 O GLN A 33 0.603 9.349 -3.833 1.00 0.00 O ATOM 574 CB GLN A 33 3.287 10.305 -5.191 1.00 0.00 C ATOM 575 CG GLN A 33 4.496 11.159 -5.541 1.00 0.00 C ATOM 576 CD GLN A 33 4.716 11.273 -7.037 1.00 0.00 C ATOM 577 OE1 GLN A 33 4.805 10.268 -7.742 1.00 0.00 O ATOM 578 NE2 GLN A 33 4.806 12.503 -7.529 1.00 0.00 N ATOM 0 H GLN A 33 4.365 11.040 -3.025 1.00 0.00 H new ATOM 0 HA GLN A 33 1.819 11.583 -4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.618 9.283 -5.006 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.617 10.272 -6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.366 12.156 -5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.385 10.731 -5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.726 13.308 -6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.955 12.643 -8.528 1.00 0.00 H new ATOM 587 N ALA A 34 2.252 9.027 -2.337 1.00 0.00 N ATOM 588 CA ALA A 34 1.575 7.930 -1.666 1.00 0.00 C ATOM 589 C ALA A 34 0.311 8.447 -1.006 1.00 0.00 C ATOM 590 O ALA A 34 -0.776 7.910 -1.209 1.00 0.00 O ATOM 591 CB ALA A 34 2.492 7.284 -0.638 1.00 0.00 C ATOM 0 H ALA A 34 3.163 9.264 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 34 1.309 7.170 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.967 6.465 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.382 6.898 -1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.785 8.026 0.105 1.00 0.00 H new ATOM 597 N LEU A 35 0.457 9.524 -0.242 1.00 0.00 N ATOM 598 CA LEU A 35 -0.684 10.141 0.415 1.00 0.00 C ATOM 599 C LEU A 35 -1.569 10.781 -0.639 1.00 0.00 C ATOM 600 O LEU A 35 -2.789 10.836 -0.501 1.00 0.00 O ATOM 601 CB LEU A 35 -0.246 11.202 1.428 1.00 0.00 C ATOM 602 CG LEU A 35 1.169 11.044 1.963 1.00 0.00 C ATOM 603 CD1 LEU A 35 2.108 11.959 1.198 1.00 0.00 C ATOM 604 CD2 LEU A 35 1.220 11.342 3.454 1.00 0.00 C ATOM 0 H LEU A 35 1.350 9.984 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.230 9.369 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.333 12.184 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.939 11.186 2.269 1.00 0.00 H new ATOM 0 HG LEU A 35 1.487 10.011 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.121 11.844 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.090 11.697 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.788 12.994 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.242 11.222 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.890 12.365 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.565 10.652 3.986 1.00 0.00 H new ATOM 616 N LEU A 36 -0.929 11.271 -1.698 1.00 0.00 N ATOM 617 CA LEU A 36 -1.640 11.911 -2.786 1.00 0.00 C ATOM 618 C LEU A 36 -2.563 10.916 -3.487 1.00 0.00 C ATOM 619 O LEU A 36 -3.747 11.185 -3.655 1.00 0.00 O ATOM 620 CB LEU A 36 -0.655 12.548 -3.775 1.00 0.00 C ATOM 621 CG LEU A 36 -0.442 14.053 -3.596 1.00 0.00 C ATOM 622 CD1 LEU A 36 0.653 14.551 -4.526 1.00 0.00 C ATOM 623 CD2 LEU A 36 -1.737 14.816 -3.840 1.00 0.00 C ATOM 0 H LEU A 36 0.083 11.234 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.260 12.706 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.308 12.046 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.011 12.365 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.130 14.232 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.791 15.623 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.585 14.033 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.369 14.355 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.561 15.883 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.083 14.629 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.495 14.482 -3.131 1.00 0.00 H new ATOM 635 N ARG A 37 -2.032 9.761 -3.888 1.00 0.00 N ATOM 636 CA ARG A 37 -2.848 8.755 -4.558 1.00 0.00 C ATOM 637 C ARG A 37 -3.829 8.127 -3.589 1.00 0.00 C ATOM 638 O ARG A 37 -4.914 7.702 -3.982 1.00 0.00 O ATOM 639 CB ARG A 37 -1.966 7.679 -5.192 1.00 0.00 C ATOM 640 CG ARG A 37 -1.171 6.870 -4.178 1.00 0.00 C ATOM 641 CD ARG A 37 -0.098 6.029 -4.851 1.00 0.00 C ATOM 642 NE ARG A 37 -0.401 4.601 -4.786 1.00 0.00 N ATOM 643 CZ ARG A 37 -0.191 3.846 -3.709 1.00 0.00 C ATOM 644 NH1 ARG A 37 0.319 4.379 -2.606 1.00 0.00 N ATOM 645 NH2 ARG A 37 -0.494 2.556 -3.735 1.00 0.00 N ATOM 0 H ARG A 37 -1.053 9.503 -3.762 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.413 9.250 -5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.593 7.003 -5.773 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.275 8.152 -5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.707 7.544 -3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.846 6.221 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.001 6.332 -5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.863 6.218 -4.373 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.797 4.156 -5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.552 5.372 -2.580 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.478 3.796 -1.784 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.888 2.142 -4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.333 1.978 -2.910 1.00 0.00 H new ATOM 659 N ILE A 38 -3.465 8.088 -2.320 1.00 0.00 N ATOM 660 CA ILE A 38 -4.355 7.530 -1.321 1.00 0.00 C ATOM 661 C ILE A 38 -5.462 8.526 -1.005 1.00 0.00 C ATOM 662 O ILE A 38 -6.638 8.189 -1.033 1.00 0.00 O ATOM 663 CB ILE A 38 -3.602 7.153 -0.028 1.00 0.00 C ATOM 664 CG1 ILE A 38 -2.571 6.063 -0.322 1.00 0.00 C ATOM 665 CG2 ILE A 38 -4.577 6.687 1.047 1.00 0.00 C ATOM 666 CD1 ILE A 38 -1.423 6.033 0.664 1.00 0.00 C ATOM 0 H ILE A 38 -2.574 8.430 -1.962 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.786 6.616 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.084 8.037 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.069 5.093 -0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.173 6.212 -1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.025 6.426 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.282 7.488 1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.122 5.813 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.731 5.235 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.900 6.989 0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.810 5.853 1.667 1.00 0.00 H new ATOM 678 N LEU A 39 -5.076 9.756 -0.702 1.00 0.00 N ATOM 679 CA LEU A 39 -6.036 10.799 -0.371 1.00 0.00 C ATOM 680 C LEU A 39 -6.772 11.330 -1.604 1.00 0.00 C ATOM 681 O LEU A 39 -7.868 11.868 -1.478 1.00 0.00 O ATOM 682 CB LEU A 39 -5.328 11.950 0.345 1.00 0.00 C ATOM 683 CG LEU A 39 -6.243 13.084 0.816 1.00 0.00 C ATOM 684 CD1 LEU A 39 -6.625 12.890 2.276 1.00 0.00 C ATOM 685 CD2 LEU A 39 -5.568 14.432 0.615 1.00 0.00 C ATOM 0 H LEU A 39 -4.102 10.057 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.783 10.353 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.799 11.549 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.575 12.366 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.153 13.063 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.275 13.705 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.149 11.941 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.724 12.884 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.233 15.226 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.641 14.464 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.345 14.573 -0.443 1.00 0.00 H new ATOM 697 N LYS A 40 -6.178 11.201 -2.792 1.00 0.00 N ATOM 698 CA LYS A 40 -6.827 11.710 -4.002 1.00 0.00 C ATOM 699 C LYS A 40 -7.645 10.629 -4.709 1.00 0.00 C ATOM 700 O LYS A 40 -8.603 10.938 -5.418 1.00 0.00 O ATOM 701 CB LYS A 40 -5.796 12.338 -4.953 1.00 0.00 C ATOM 702 CG LYS A 40 -5.246 11.383 -6.011 1.00 0.00 C ATOM 703 CD LYS A 40 -3.766 11.617 -6.339 1.00 0.00 C ATOM 704 CE LYS A 40 -3.254 12.977 -5.884 1.00 0.00 C ATOM 705 NZ LYS A 40 -2.182 13.498 -6.779 1.00 0.00 N ATOM 0 H LYS A 40 -5.271 10.760 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.525 12.489 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.255 13.190 -5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.965 12.725 -4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.375 10.357 -5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.833 11.488 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.169 10.836 -5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.621 11.524 -7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.082 13.686 -5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.871 12.898 -4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.063 14.519 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.288 13.009 -6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.446 13.331 -7.771 1.00 0.00 H new ATOM 719 N GLU A 41 -7.288 9.366 -4.501 1.00 0.00 N ATOM 720 CA GLU A 41 -8.027 8.265 -5.114 1.00 0.00 C ATOM 721 C GLU A 41 -8.922 7.598 -4.087 1.00 0.00 C ATOM 722 O GLU A 41 -9.681 6.682 -4.401 1.00 0.00 O ATOM 723 CB GLU A 41 -7.072 7.233 -5.711 1.00 0.00 C ATOM 724 CG GLU A 41 -5.914 7.841 -6.469 1.00 0.00 C ATOM 725 CD GLU A 41 -6.323 8.395 -7.820 1.00 0.00 C ATOM 726 OE1 GLU A 41 -6.475 7.595 -8.768 1.00 0.00 O ATOM 727 OE2 GLU A 41 -6.489 9.627 -7.931 1.00 0.00 O ATOM 0 H GLU A 41 -6.500 9.080 -3.919 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.641 8.676 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.681 6.607 -4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.630 6.580 -6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.474 8.640 -5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.141 7.086 -6.610 1.00 0.00 H new ATOM 734 N THR A 42 -8.823 8.071 -2.857 1.00 0.00 N ATOM 735 CA THR A 42 -9.610 7.541 -1.770 1.00 0.00 C ATOM 736 C THR A 42 -10.158 8.673 -0.906 1.00 0.00 C ATOM 737 O THR A 42 -10.684 8.439 0.180 1.00 0.00 O ATOM 738 CB THR A 42 -8.754 6.601 -0.937 1.00 0.00 C ATOM 739 OG1 THR A 42 -7.985 5.751 -1.769 1.00 0.00 O ATOM 740 CG2 THR A 42 -9.563 5.731 -0.018 1.00 0.00 C ATOM 0 H THR A 42 -8.196 8.830 -2.590 1.00 0.00 H new ATOM 0 HA THR A 42 -10.456 6.987 -2.177 1.00 0.00 H new ATOM 0 HB THR A 42 -8.112 7.245 -0.336 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.108 6.158 -1.931 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.896 5.082 0.550 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.132 6.358 0.669 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.249 5.121 -0.605 1.00 0.00 H new ATOM 748 N GLU A 43 -10.029 9.906 -1.402 1.00 0.00 N ATOM 749 CA GLU A 43 -10.509 11.085 -0.685 1.00 0.00 C ATOM 750 C GLU A 43 -11.895 10.849 -0.105 1.00 0.00 C ATOM 751 O GLU A 43 -12.089 10.885 1.111 1.00 0.00 O ATOM 752 CB GLU A 43 -10.553 12.313 -1.609 1.00 0.00 C ATOM 753 CG GLU A 43 -10.601 11.983 -3.095 1.00 0.00 C ATOM 754 CD GLU A 43 -11.108 13.141 -3.933 1.00 0.00 C ATOM 755 OE1 GLU A 43 -12.192 13.673 -3.616 1.00 0.00 O ATOM 756 OE2 GLU A 43 -10.419 13.515 -4.905 1.00 0.00 O ATOM 0 H GLU A 43 -9.594 10.112 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.809 11.272 0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.427 12.913 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.676 12.930 -1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.603 11.703 -3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.245 11.117 -3.251 1.00 0.00 H new ATOM 763 N PHE A 44 -12.859 10.622 -0.986 1.00 0.00 N ATOM 764 CA PHE A 44 -14.237 10.395 -0.572 1.00 0.00 C ATOM 765 C PHE A 44 -14.547 8.907 -0.445 1.00 0.00 C ATOM 766 O PHE A 44 -15.443 8.514 0.301 1.00 0.00 O ATOM 767 CB PHE A 44 -15.199 11.043 -1.571 1.00 0.00 C ATOM 768 CG PHE A 44 -15.836 12.303 -1.058 1.00 0.00 C ATOM 769 CD1 PHE A 44 -15.143 13.503 -1.076 1.00 0.00 C ATOM 770 CD2 PHE A 44 -17.129 12.287 -0.560 1.00 0.00 C ATOM 771 CE1 PHE A 44 -15.727 14.663 -0.605 1.00 0.00 C ATOM 772 CE2 PHE A 44 -17.719 13.445 -0.088 1.00 0.00 C ATOM 773 CZ PHE A 44 -17.017 14.634 -0.111 1.00 0.00 C ATOM 0 H PHE A 44 -12.712 10.590 -1.995 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.368 10.851 0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -14.659 11.267 -2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -15.981 10.328 -1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -14.135 13.532 -1.463 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.682 11.360 -0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.176 15.592 -0.623 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -18.727 13.420 0.298 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.476 15.540 0.257 1.00 0.00 H new ATOM 783 N LYS A 45 -13.824 8.085 -1.197 1.00 0.00 N ATOM 784 CA LYS A 45 -14.047 6.642 -1.183 1.00 0.00 C ATOM 785 C LYS A 45 -14.011 6.062 0.235 1.00 0.00 C ATOM 786 O LYS A 45 -14.968 5.427 0.677 1.00 0.00 O ATOM 787 CB LYS A 45 -13.005 5.944 -2.066 1.00 0.00 C ATOM 788 CG LYS A 45 -12.740 6.669 -3.380 1.00 0.00 C ATOM 789 CD LYS A 45 -12.866 5.742 -4.576 1.00 0.00 C ATOM 790 CE LYS A 45 -12.382 6.419 -5.848 1.00 0.00 C ATOM 791 NZ LYS A 45 -13.241 6.086 -7.018 1.00 0.00 N ATOM 0 H LYS A 45 -13.079 8.391 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.046 6.461 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.070 5.858 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.343 4.930 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.443 7.496 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.740 7.102 -3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.287 4.836 -4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.906 5.437 -4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.371 7.499 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.356 6.114 -6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.876 6.568 -7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.232 5.058 -7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.215 6.400 -6.834 1.00 0.00 H new ATOM 805 N LYS A 46 -12.894 6.250 0.926 1.00 0.00 N ATOM 806 CA LYS A 46 -12.725 5.710 2.276 1.00 0.00 C ATOM 807 C LYS A 46 -13.669 6.347 3.298 1.00 0.00 C ATOM 808 O LYS A 46 -14.237 5.648 4.137 1.00 0.00 O ATOM 809 CB LYS A 46 -11.276 5.875 2.742 1.00 0.00 C ATOM 810 CG LYS A 46 -10.759 7.301 2.649 1.00 0.00 C ATOM 811 CD LYS A 46 -10.481 7.888 4.024 1.00 0.00 C ATOM 812 CE LYS A 46 -9.249 7.263 4.658 1.00 0.00 C ATOM 813 NZ LYS A 46 -8.544 8.216 5.559 1.00 0.00 N ATOM 0 H LYS A 46 -12.090 6.772 0.577 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.979 4.652 2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.196 5.536 3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.636 5.227 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.846 7.319 2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.490 7.920 2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.341 8.966 3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.344 7.729 4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.541 6.378 5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.567 6.931 3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.710 7.751 5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.243 9.050 5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.186 8.513 6.321 1.00 0.00 H new ATOM 827 N ILE A 47 -13.823 7.666 3.250 1.00 0.00 N ATOM 828 CA ILE A 47 -14.685 8.355 4.207 1.00 0.00 C ATOM 829 C ILE A 47 -16.147 7.947 4.053 1.00 0.00 C ATOM 830 O ILE A 47 -16.782 7.533 5.022 1.00 0.00 O ATOM 831 CB ILE A 47 -14.562 9.889 4.108 1.00 0.00 C ATOM 832 CG1 ILE A 47 -14.806 10.367 2.677 1.00 0.00 C ATOM 833 CG2 ILE A 47 -13.192 10.337 4.591 1.00 0.00 C ATOM 834 CD1 ILE A 47 -16.223 10.838 2.431 1.00 0.00 C ATOM 0 H ILE A 47 -13.369 8.274 2.568 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.338 8.048 5.194 1.00 0.00 H new ATOM 0 HB ILE A 47 -15.324 10.335 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -14.117 11.181 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -14.577 9.555 1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.117 11.422 4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.055 10.034 5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.420 9.877 3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.324 11.163 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.917 10.020 2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -16.450 11.671 3.096 1.00 0.00 H new ATOM 846 N LYS A 48 -16.686 8.062 2.843 1.00 0.00 N ATOM 847 CA LYS A 48 -18.079 7.697 2.600 1.00 0.00 C ATOM 848 C LYS A 48 -18.360 6.285 3.107 1.00 0.00 C ATOM 849 O LYS A 48 -19.452 5.991 3.592 1.00 0.00 O ATOM 850 CB LYS A 48 -18.408 7.800 1.107 1.00 0.00 C ATOM 851 CG LYS A 48 -17.805 6.687 0.265 1.00 0.00 C ATOM 852 CD LYS A 48 -18.155 6.846 -1.205 1.00 0.00 C ATOM 853 CE LYS A 48 -17.694 5.648 -2.020 1.00 0.00 C ATOM 854 NZ LYS A 48 -17.669 5.945 -3.479 1.00 0.00 N ATOM 0 H LYS A 48 -16.185 8.402 2.022 1.00 0.00 H new ATOM 0 HA LYS A 48 -18.715 8.394 3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.491 7.791 0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.052 8.760 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.721 6.686 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.165 5.723 0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.233 6.967 -1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.692 7.752 -1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.698 5.348 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.358 4.804 -1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -17.349 5.103 -3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.624 6.206 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.016 6.733 -3.662 1.00 0.00 H new ATOM 868 N VAL A 49 -17.361 5.418 2.986 1.00 0.00 N ATOM 869 CA VAL A 49 -17.487 4.033 3.426 1.00 0.00 C ATOM 870 C VAL A 49 -17.302 3.911 4.936 1.00 0.00 C ATOM 871 O VAL A 49 -17.977 3.117 5.591 1.00 0.00 O ATOM 872 CB VAL A 49 -16.456 3.132 2.720 1.00 0.00 C ATOM 873 CG1 VAL A 49 -16.639 1.677 3.129 1.00 0.00 C ATOM 874 CG2 VAL A 49 -16.561 3.283 1.210 1.00 0.00 C ATOM 0 H VAL A 49 -16.452 5.651 2.586 1.00 0.00 H new ATOM 0 HA VAL A 49 -18.493 3.706 3.163 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.459 3.447 3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -15.900 1.060 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -16.508 1.583 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -17.641 1.345 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -15.825 2.639 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.561 2.998 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -16.372 4.320 0.934 1.00 0.00 H new ATOM 884 N LEU A 50 -16.380 4.698 5.483 1.00 0.00 N ATOM 885 CA LEU A 50 -16.106 4.670 6.915 1.00 0.00 C ATOM 886 C LEU A 50 -17.202 5.387 7.697 1.00 0.00 C ATOM 887 O LEU A 50 -17.486 5.041 8.844 1.00 0.00 O ATOM 888 CB LEU A 50 -14.749 5.311 7.207 1.00 0.00 C ATOM 889 CG LEU A 50 -13.545 4.546 6.656 1.00 0.00 C ATOM 890 CD1 LEU A 50 -12.368 5.483 6.443 1.00 0.00 C ATOM 891 CD2 LEU A 50 -13.164 3.410 7.594 1.00 0.00 C ATOM 0 H LEU A 50 -15.811 5.362 4.957 1.00 0.00 H new ATOM 0 HA LEU A 50 -16.084 3.628 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.742 6.319 6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.635 5.411 8.286 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.819 4.119 5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.521 4.920 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.647 6.261 5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.091 5.941 7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.305 2.875 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.909 3.816 8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.005 2.724 7.694 1.00 0.00 H new ATOM 903 N GLY A 51 -17.816 6.382 7.069 1.00 0.00 N ATOM 904 CA GLY A 51 -18.876 7.126 7.721 1.00 0.00 C ATOM 905 C GLY A 51 -20.251 6.622 7.334 1.00 0.00 C ATOM 906 O GLY A 51 -21.225 7.375 7.351 1.00 0.00 O ATOM 0 H GLY A 51 -17.599 6.687 6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.756 7.055 8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.791 8.181 7.460 1.00 0.00 H new ATOM 910 N SER A 52 -20.328 5.343 6.983 1.00 0.00 N ATOM 911 CA SER A 52 -21.591 4.732 6.589 1.00 0.00 C ATOM 912 C SER A 52 -22.611 4.819 7.719 1.00 0.00 C ATOM 913 O SER A 52 -23.807 4.979 7.479 1.00 0.00 O ATOM 914 CB SER A 52 -21.371 3.271 6.193 1.00 0.00 C ATOM 915 OG SER A 52 -21.305 2.437 7.337 1.00 0.00 O ATOM 0 H SER A 52 -19.529 4.709 6.963 1.00 0.00 H new ATOM 0 HA SER A 52 -21.981 5.278 5.730 1.00 0.00 H new ATOM 0 HB2 SER A 52 -22.182 2.941 5.545 1.00 0.00 H new ATOM 0 HB3 SER A 52 -20.448 3.181 5.620 1.00 0.00 H new ATOM 0 HG SER A 52 -21.166 1.508 7.057 1.00 0.00 H new ATOM 921 N GLY A 53 -22.127 4.712 8.953 1.00 0.00 N ATOM 922 CA GLY A 53 -23.009 4.781 10.104 1.00 0.00 C ATOM 923 C GLY A 53 -22.764 6.016 10.948 1.00 0.00 C ATOM 924 O GLY A 53 -22.017 5.916 11.944 1.00 0.00 O ATOM 925 OXT GLY A 53 -23.317 7.085 10.613 1.00 0.00 O ATOM 0 H GLY A 53 -21.141 4.579 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -24.045 4.776 9.765 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.870 3.891 10.718 1.00 0.00 H new TER 929 GLY A 53