USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 TYR OH : rot -108:sc= -3.7! USER MOD Set 1.2: A 70 HIS : no HD1:sc= -4.29 K(o=-8,f=-15!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS :FLIP no HE2:sc= 0.0541 F(o=-0.49,f=0.054) USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.111) USER MOD Single : A 19 ASN : amide:sc= -0.0917 X(o=-0.092,f=-0.092) USER MOD Single : A 23 LYS NZ :NH3+ 178:sc= 0.0577 (180deg=-0.0526) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -151:sc= -0.388 (180deg=-0.82) USER MOD Single : A 34 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-3.6!) USER MOD Single : A 35 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 172:sc= -1.91 (180deg=-2.24) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.289 K(o=-0.29,f=-4.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -5.4! C(o=-5.4!,f=-7.2!) USER MOD Single : A 74 TYR OH : rot 7:sc= 1.36 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.0041) USER MOD Single : B 112 TYR OH : rot 96:sc= 0.0188 USER MOD Single : B 114 ASN : amide:sc=-0.00435 K(o=-0.0044,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -15.869 3.866 2.026 1.00 0.00 N ATOM 33 CA ARG A 3 -16.337 2.485 2.062 1.00 0.00 C ATOM 34 C ARG A 3 -15.995 1.761 0.763 1.00 0.00 C ATOM 35 O ARG A 3 -15.493 0.637 0.782 1.00 0.00 O ATOM 36 CB ARG A 3 -17.849 2.444 2.304 1.00 0.00 C ATOM 37 CG ARG A 3 -18.229 1.966 3.696 1.00 0.00 C ATOM 38 CD ARG A 3 -19.554 2.558 4.146 1.00 0.00 C ATOM 39 NE ARG A 3 -19.579 2.810 5.586 1.00 0.00 N ATOM 40 CZ ARG A 3 -20.453 3.619 6.181 1.00 0.00 C ATOM 41 NH1 ARG A 3 -21.371 4.256 5.467 1.00 0.00 N ATOM 42 NH2 ARG A 3 -20.406 3.793 7.495 1.00 0.00 N ATOM 0 HA ARG A 3 -15.832 1.976 2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.261 3.441 2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.309 1.788 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -18.294 0.878 3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -17.447 2.243 4.403 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.735 3.490 3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.364 1.877 3.883 1.00 0.00 H new ATOM 0 HE ARG A 3 -18.887 2.339 6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -21.410 4.128 4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -22.038 4.874 5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.701 3.307 8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -21.075 4.413 7.952 1.00 0.00 H new ATOM 56 N LYS A 4 -16.270 2.412 -0.363 1.00 0.00 N ATOM 57 CA LYS A 4 -15.991 1.828 -1.670 1.00 0.00 C ATOM 58 C LYS A 4 -14.503 1.551 -1.836 1.00 0.00 C ATOM 59 O LYS A 4 -14.113 0.596 -2.505 1.00 0.00 O ATOM 60 CB LYS A 4 -16.480 2.756 -2.785 1.00 0.00 C ATOM 61 CG LYS A 4 -15.896 4.157 -2.710 1.00 0.00 C ATOM 62 CD LYS A 4 -15.746 4.773 -4.091 1.00 0.00 C ATOM 63 CE LYS A 4 -15.368 6.242 -4.008 1.00 0.00 C ATOM 64 NZ LYS A 4 -13.892 6.440 -4.049 1.00 0.00 N ATOM 0 H LYS A 4 -16.685 3.343 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.527 0.881 -1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.226 2.317 -3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.567 2.822 -2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.539 4.788 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.924 4.121 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.984 4.231 -4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.681 4.667 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.830 6.783 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.766 6.668 -3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.676 7.456 -3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.453 5.946 -3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.515 6.057 -4.939 1.00 0.00 H new ATOM 78 N VAL A 5 -13.673 2.385 -1.215 1.00 0.00 N ATOM 79 CA VAL A 5 -12.227 2.209 -1.293 1.00 0.00 C ATOM 80 C VAL A 5 -11.848 0.787 -0.901 1.00 0.00 C ATOM 81 O VAL A 5 -10.942 0.187 -1.480 1.00 0.00 O ATOM 82 CB VAL A 5 -11.484 3.203 -0.378 1.00 0.00 C ATOM 83 CG1 VAL A 5 -9.977 3.078 -0.561 1.00 0.00 C ATOM 84 CG2 VAL A 5 -11.944 4.628 -0.649 1.00 0.00 C ATOM 0 H VAL A 5 -13.975 3.183 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.930 2.401 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.722 2.960 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.471 3.788 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.663 2.065 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.717 3.292 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.408 5.314 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.739 4.885 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.015 4.707 -0.460 1.00 0.00 H new ATOM 94 N ALA A 6 -12.563 0.250 0.082 1.00 0.00 N ATOM 95 CA ALA A 6 -12.325 -1.107 0.551 1.00 0.00 C ATOM 96 C ALA A 6 -12.821 -2.126 -0.467 1.00 0.00 C ATOM 97 O ALA A 6 -12.196 -3.164 -0.677 1.00 0.00 O ATOM 98 CB ALA A 6 -12.998 -1.328 1.897 1.00 0.00 C ATOM 0 H ALA A 6 -13.315 0.737 0.570 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.250 -1.243 0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.811 -2.347 2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.594 -0.625 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.072 -1.170 1.797 1.00 0.00 H new ATOM 104 N ARG A 7 -13.952 -1.820 -1.099 1.00 0.00 N ATOM 105 CA ARG A 7 -14.533 -2.712 -2.097 1.00 0.00 C ATOM 106 C ARG A 7 -13.655 -2.787 -3.337 1.00 0.00 C ATOM 107 O ARG A 7 -13.480 -3.854 -3.922 1.00 0.00 O ATOM 108 CB ARG A 7 -15.941 -2.243 -2.473 1.00 0.00 C ATOM 109 CG ARG A 7 -17.034 -3.226 -2.084 1.00 0.00 C ATOM 110 CD ARG A 7 -18.011 -3.458 -3.227 1.00 0.00 C ATOM 111 NE ARG A 7 -18.836 -2.281 -3.488 1.00 0.00 N ATOM 112 CZ ARG A 7 -19.500 -2.079 -4.624 1.00 0.00 C ATOM 113 NH1 ARG A 7 -19.441 -2.973 -5.604 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.230 -0.981 -4.781 1.00 0.00 N ATOM 0 H ARG A 7 -14.482 -0.964 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.597 -3.710 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.137 -1.285 -1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.983 -2.073 -3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.584 -4.175 -1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.573 -2.847 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.458 -3.721 -4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -18.653 -4.306 -2.989 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.907 -1.573 -2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.885 -3.820 -5.489 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.952 -2.813 -6.472 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.282 -0.292 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.738 -0.827 -5.652 1.00 0.00 H new ATOM 128 N GLU A 8 -13.099 -1.649 -3.732 1.00 0.00 N ATOM 129 CA GLU A 8 -12.234 -1.594 -4.904 1.00 0.00 C ATOM 130 C GLU A 8 -10.898 -2.266 -4.611 1.00 0.00 C ATOM 131 O GLU A 8 -10.418 -3.081 -5.399 1.00 0.00 O ATOM 132 CB GLU A 8 -12.009 -0.144 -5.335 1.00 0.00 C ATOM 133 CG GLU A 8 -13.178 0.449 -6.106 1.00 0.00 C ATOM 134 CD GLU A 8 -12.966 0.414 -7.607 1.00 0.00 C ATOM 135 OE1 GLU A 8 -12.674 -0.677 -8.139 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.091 1.477 -8.249 1.00 0.00 O ATOM 0 H GLU A 8 -13.231 -0.754 -3.260 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.724 -2.129 -5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.822 0.465 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.113 -0.092 -5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.087 -0.099 -5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.332 1.480 -5.789 1.00 0.00 H new ATOM 143 N PHE A 9 -10.310 -1.929 -3.469 1.00 0.00 N ATOM 144 CA PHE A 9 -9.036 -2.513 -3.071 1.00 0.00 C ATOM 145 C PHE A 9 -9.204 -4.000 -2.786 1.00 0.00 C ATOM 146 O PHE A 9 -8.317 -4.803 -3.076 1.00 0.00 O ATOM 147 CB PHE A 9 -8.483 -1.801 -1.835 1.00 0.00 C ATOM 148 CG PHE A 9 -7.134 -2.306 -1.404 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.156 -2.598 -2.342 1.00 0.00 C ATOM 150 CD2 PHE A 9 -6.845 -2.490 -0.061 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.916 -3.062 -1.949 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.606 -2.954 0.338 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.640 -3.241 -0.606 1.00 0.00 C ATOM 0 H PHE A 9 -10.694 -1.257 -2.805 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.328 -2.388 -3.891 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.413 -0.733 -2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.187 -1.921 -1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.366 -2.461 -3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.597 -2.268 0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.163 -3.285 -2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.393 -3.092 1.388 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.671 -3.604 -0.296 1.00 0.00 H new ATOM 163 N ARG A 10 -10.355 -4.361 -2.226 1.00 0.00 N ATOM 164 CA ARG A 10 -10.646 -5.753 -1.909 1.00 0.00 C ATOM 165 C ARG A 10 -10.964 -6.538 -3.176 1.00 0.00 C ATOM 166 O ARG A 10 -10.462 -7.645 -3.372 1.00 0.00 O ATOM 167 CB ARG A 10 -11.821 -5.843 -0.931 1.00 0.00 C ATOM 168 CG ARG A 10 -12.116 -7.259 -0.465 1.00 0.00 C ATOM 169 CD ARG A 10 -13.603 -7.468 -0.226 1.00 0.00 C ATOM 170 NE ARG A 10 -14.005 -8.855 -0.449 1.00 0.00 N ATOM 171 CZ ARG A 10 -14.181 -9.390 -1.656 1.00 0.00 C ATOM 172 NH1 ARG A 10 -13.992 -8.661 -2.747 1.00 0.00 N ATOM 173 NH2 ARG A 10 -14.547 -10.660 -1.770 1.00 0.00 N ATOM 0 H ARG A 10 -11.100 -3.708 -1.983 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.762 -6.187 -1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.608 -5.220 -0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.712 -5.433 -1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.763 -7.970 -1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.566 -7.463 0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.850 -7.179 0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.172 -6.815 -0.888 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.160 -9.448 0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.710 -7.684 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.128 -9.077 -3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.693 -11.226 -0.934 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.682 -11.071 -2.694 1.00 0.00 H new ATOM 187 N HIS A 11 -11.798 -5.959 -4.035 1.00 0.00 N ATOM 188 CA HIS A 11 -12.172 -6.613 -5.284 1.00 0.00 C ATOM 189 C HIS A 11 -10.966 -6.748 -6.206 1.00 0.00 C ATOM 190 O HIS A 11 -10.761 -7.791 -6.825 1.00 0.00 O ATOM 191 CB HIS A 11 -13.285 -5.831 -5.985 1.00 0.00 C ATOM 192 CG HIS A 11 -13.981 -6.611 -7.056 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.676 -7.800 -7.627 1.00 0.00 N flip ATOM 194 CD2 HIS A 11 -15.141 -6.182 -7.666 1.00 0.00 C flip ATOM 195 CE1 HIS A 11 -14.648 -8.064 -8.561 1.00 0.00 C flip ATOM 196 NE2 HIS A 11 -15.520 -7.073 -8.565 1.00 0.00 N flip ATOM 0 H HIS A 11 -12.225 -5.044 -3.890 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.539 -7.611 -5.047 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.018 -5.514 -5.243 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.862 -4.926 -6.422 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -12.874 -8.390 -7.405 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -15.659 -5.261 -7.443 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.692 -8.941 -9.190 1.00 0.00 H new ATOM 205 N LYS A 12 -10.166 -5.690 -6.285 1.00 0.00 N ATOM 206 CA LYS A 12 -8.976 -5.699 -7.127 1.00 0.00 C ATOM 207 C LYS A 12 -8.030 -6.815 -6.699 1.00 0.00 C ATOM 208 O LYS A 12 -7.690 -7.697 -7.490 1.00 0.00 O ATOM 209 CB LYS A 12 -8.259 -4.350 -7.051 1.00 0.00 C ATOM 210 CG LYS A 12 -8.716 -3.357 -8.107 1.00 0.00 C ATOM 211 CD LYS A 12 -7.977 -3.559 -9.421 1.00 0.00 C ATOM 212 CE LYS A 12 -7.412 -2.250 -9.951 1.00 0.00 C ATOM 213 NZ LYS A 12 -8.480 -1.242 -10.194 1.00 0.00 N ATOM 0 H LYS A 12 -10.319 -4.818 -5.778 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.286 -5.876 -8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.420 -3.917 -6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.186 -4.512 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.788 -3.467 -8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.551 -2.341 -7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.167 -4.274 -9.278 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.655 -3.989 -10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.691 -1.850 -9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.872 -2.437 -10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.113 -0.489 -10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.292 -1.701 -10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.783 -0.831 -9.288 1.00 0.00 H new ATOM 227 N VAL A 13 -7.620 -6.780 -5.433 1.00 0.00 N ATOM 228 CA VAL A 13 -6.724 -7.794 -4.892 1.00 0.00 C ATOM 229 C VAL A 13 -7.282 -9.190 -5.138 1.00 0.00 C ATOM 230 O VAL A 13 -6.537 -10.127 -5.422 1.00 0.00 O ATOM 231 CB VAL A 13 -6.496 -7.592 -3.381 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.525 -8.630 -2.837 1.00 0.00 C ATOM 233 CG2 VAL A 13 -5.988 -6.187 -3.100 1.00 0.00 C ATOM 0 H VAL A 13 -7.895 -6.060 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.768 -7.691 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.452 -7.721 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.379 -8.468 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.931 -9.628 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.568 -8.538 -3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.833 -6.064 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.045 -6.030 -3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.721 -5.459 -3.447 1.00 0.00 H new ATOM 243 N ASP A 14 -8.600 -9.318 -5.035 1.00 0.00 N ATOM 244 CA ASP A 14 -9.260 -10.596 -5.251 1.00 0.00 C ATOM 245 C ASP A 14 -9.258 -10.964 -6.733 1.00 0.00 C ATOM 246 O ASP A 14 -9.268 -12.140 -7.088 1.00 0.00 O ATOM 247 CB ASP A 14 -10.696 -10.548 -4.727 1.00 0.00 C ATOM 248 CG ASP A 14 -11.219 -11.919 -4.343 1.00 0.00 C ATOM 249 OD1 ASP A 14 -10.435 -12.718 -3.789 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.410 -12.192 -4.595 1.00 0.00 O ATOM 0 H ASP A 14 -9.231 -8.551 -4.803 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.708 -11.360 -4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.741 -9.889 -3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.344 -10.116 -5.490 1.00 0.00 H new ATOM 255 N PHE A 15 -9.244 -9.948 -7.594 1.00 0.00 N ATOM 256 CA PHE A 15 -9.236 -10.173 -9.034 1.00 0.00 C ATOM 257 C PHE A 15 -7.903 -10.758 -9.478 1.00 0.00 C ATOM 258 O PHE A 15 -7.833 -11.527 -10.437 1.00 0.00 O ATOM 259 CB PHE A 15 -9.506 -8.864 -9.779 1.00 0.00 C ATOM 260 CG PHE A 15 -9.559 -9.022 -11.272 1.00 0.00 C ATOM 261 CD1 PHE A 15 -10.401 -9.958 -11.854 1.00 0.00 C ATOM 262 CD2 PHE A 15 -8.769 -8.235 -12.094 1.00 0.00 C ATOM 263 CE1 PHE A 15 -10.451 -10.104 -13.226 1.00 0.00 C ATOM 264 CE2 PHE A 15 -8.815 -8.378 -13.467 1.00 0.00 C ATOM 265 CZ PHE A 15 -9.657 -9.314 -14.035 1.00 0.00 C ATOM 0 H PHE A 15 -9.238 -8.966 -7.319 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.026 -10.885 -9.272 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.451 -8.447 -9.432 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.728 -8.144 -9.526 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.024 -10.579 -11.227 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.109 -7.501 -11.656 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.111 -10.836 -13.667 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.193 -7.758 -14.096 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.695 -9.428 -15.108 1.00 0.00 H new ATOM 275 N LEU A 16 -6.845 -10.377 -8.774 1.00 0.00 N ATOM 276 CA LEU A 16 -5.501 -10.847 -9.090 1.00 0.00 C ATOM 277 C LEU A 16 -5.148 -12.088 -8.274 1.00 0.00 C ATOM 278 O LEU A 16 -4.446 -12.978 -8.753 1.00 0.00 O ATOM 279 CB LEU A 16 -4.477 -9.739 -8.825 1.00 0.00 C ATOM 280 CG LEU A 16 -5.001 -8.309 -8.998 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.200 -7.342 -8.141 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.950 -7.897 -10.460 1.00 0.00 C ATOM 0 H LEU A 16 -6.891 -9.742 -7.977 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.476 -11.113 -10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.101 -9.850 -7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.630 -9.882 -9.496 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.040 -8.279 -8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.585 -6.331 -8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.287 -7.627 -7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.152 -7.374 -8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.326 -6.879 -10.564 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.920 -7.942 -10.815 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.567 -8.574 -11.051 1.00 0.00 H new ATOM 294 N ILE A 17 -5.636 -12.134 -7.041 1.00 0.00 N ATOM 295 CA ILE A 17 -5.370 -13.260 -6.153 1.00 0.00 C ATOM 296 C ILE A 17 -6.504 -14.277 -6.207 1.00 0.00 C ATOM 297 O ILE A 17 -6.324 -15.394 -6.692 1.00 0.00 O ATOM 298 CB ILE A 17 -5.146 -12.771 -4.698 1.00 0.00 C ATOM 299 CG1 ILE A 17 -3.773 -12.120 -4.579 1.00 0.00 C ATOM 300 CG2 ILE A 17 -5.255 -13.910 -3.695 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.733 -10.681 -5.043 1.00 0.00 C ATOM 0 H ILE A 17 -6.219 -11.404 -6.632 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.458 -13.750 -6.495 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.926 -12.045 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.450 -12.165 -3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.056 -12.699 -5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.092 -13.525 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.248 -14.355 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.503 -14.667 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.723 -10.289 -4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.024 -10.629 -6.092 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.424 -10.087 -4.445 1.00 0.00 H new ATOM 313 N GLU A 18 -7.665 -13.888 -5.706 1.00 0.00 N ATOM 314 CA GLU A 18 -8.828 -14.760 -5.692 1.00 0.00 C ATOM 315 C GLU A 18 -8.597 -16.008 -4.846 1.00 0.00 C ATOM 316 O GLU A 18 -9.451 -16.890 -4.760 1.00 0.00 O ATOM 317 CB GLU A 18 -9.221 -15.147 -7.112 1.00 0.00 C ATOM 318 CG GLU A 18 -10.429 -16.049 -7.153 1.00 0.00 C ATOM 319 CD GLU A 18 -11.074 -16.115 -8.523 1.00 0.00 C ATOM 320 OE1 GLU A 18 -11.790 -15.159 -8.888 1.00 0.00 O ATOM 321 OE2 GLU A 18 -10.863 -17.122 -9.231 1.00 0.00 O ATOM 0 H GLU A 18 -7.827 -12.966 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.646 -14.203 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.426 -14.244 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.381 -15.648 -7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.136 -17.053 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.163 -15.697 -6.429 1.00 0.00 H new ATOM 328 N ASN A 19 -7.444 -16.058 -4.226 1.00 0.00 N ATOM 329 CA ASN A 19 -7.068 -17.176 -3.370 1.00 0.00 C ATOM 330 C ASN A 19 -7.088 -16.761 -1.903 1.00 0.00 C ATOM 331 O ASN A 19 -6.458 -15.775 -1.518 1.00 0.00 O ATOM 332 CB ASN A 19 -5.679 -17.694 -3.750 1.00 0.00 C ATOM 333 CG ASN A 19 -5.742 -18.950 -4.598 1.00 0.00 C ATOM 334 OD1 ASN A 19 -6.004 -18.891 -5.800 1.00 0.00 O ATOM 335 ND2 ASN A 19 -5.503 -20.097 -3.973 1.00 0.00 N ATOM 0 H ASN A 19 -6.734 -15.329 -4.295 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.794 -17.976 -3.514 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.141 -16.918 -4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.110 -17.899 -2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.533 -20.976 -4.490 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.290 -20.099 -2.976 1.00 0.00 H new ATOM 342 N ASP A 20 -7.816 -17.517 -1.088 1.00 0.00 N ATOM 343 CA ASP A 20 -7.919 -17.224 0.337 1.00 0.00 C ATOM 344 C ASP A 20 -6.546 -17.237 1.000 1.00 0.00 C ATOM 345 O ASP A 20 -6.212 -16.340 1.774 1.00 0.00 O ATOM 346 CB ASP A 20 -8.839 -18.237 1.023 1.00 0.00 C ATOM 347 CG ASP A 20 -9.507 -17.666 2.259 1.00 0.00 C ATOM 348 OD1 ASP A 20 -10.224 -16.651 2.131 1.00 0.00 O ATOM 349 OD2 ASP A 20 -9.313 -18.234 3.354 1.00 0.00 O ATOM 0 H ASP A 20 -8.343 -18.337 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.343 -16.226 0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.604 -18.565 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.262 -19.119 1.300 1.00 0.00 H new ATOM 354 N ALA A 21 -5.754 -18.259 0.694 1.00 0.00 N ATOM 355 CA ALA A 21 -4.416 -18.384 1.263 1.00 0.00 C ATOM 356 C ALA A 21 -3.574 -17.154 0.955 1.00 0.00 C ATOM 357 O ALA A 21 -2.949 -16.575 1.843 1.00 0.00 O ATOM 358 CB ALA A 21 -3.734 -19.640 0.742 1.00 0.00 C ATOM 0 H ALA A 21 -6.014 -19.012 0.057 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.514 -18.463 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.737 -19.719 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.321 -20.515 1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.654 -19.587 -0.344 1.00 0.00 H new ATOM 364 N GLU A 22 -3.570 -16.757 -0.310 1.00 0.00 N ATOM 365 CA GLU A 22 -2.811 -15.589 -0.740 1.00 0.00 C ATOM 366 C GLU A 22 -3.361 -14.327 -0.089 1.00 0.00 C ATOM 367 O GLU A 22 -2.604 -13.499 0.417 1.00 0.00 O ATOM 368 CB GLU A 22 -2.851 -15.457 -2.263 1.00 0.00 C ATOM 369 CG GLU A 22 -1.902 -16.401 -2.983 1.00 0.00 C ATOM 370 CD GLU A 22 -2.343 -16.701 -4.402 1.00 0.00 C ATOM 371 OE1 GLU A 22 -2.021 -15.900 -5.305 1.00 0.00 O ATOM 372 OE2 GLU A 22 -3.010 -17.736 -4.610 1.00 0.00 O ATOM 0 H GLU A 22 -4.083 -17.226 -1.057 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.775 -15.719 -0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.868 -15.645 -2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.606 -14.431 -2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.904 -15.963 -3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.830 -17.334 -2.424 1.00 0.00 H new ATOM 379 N LYS A 23 -4.684 -14.192 -0.093 1.00 0.00 N ATOM 380 CA LYS A 23 -5.327 -13.034 0.513 1.00 0.00 C ATOM 381 C LYS A 23 -5.048 -13.004 2.006 1.00 0.00 C ATOM 382 O LYS A 23 -4.942 -11.933 2.606 1.00 0.00 O ATOM 383 CB LYS A 23 -6.835 -13.064 0.259 1.00 0.00 C ATOM 384 CG LYS A 23 -7.442 -11.686 0.044 1.00 0.00 C ATOM 385 CD LYS A 23 -8.962 -11.742 0.033 1.00 0.00 C ATOM 386 CE LYS A 23 -9.487 -12.386 -1.240 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.975 -12.432 -1.267 1.00 0.00 N ATOM 0 H LYS A 23 -5.327 -14.867 -0.507 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.918 -12.132 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.036 -13.681 -0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.329 -13.542 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.107 -11.013 0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.085 -11.273 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.313 -12.305 0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.365 -10.733 0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.125 -11.829 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.091 -13.398 -1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.293 -12.847 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.319 -13.013 -0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.354 -11.468 -1.178 1.00 0.00 H new ATOM 401 N ASP A 24 -4.916 -14.184 2.601 1.00 0.00 N ATOM 402 CA ASP A 24 -4.632 -14.287 4.024 1.00 0.00 C ATOM 403 C ASP A 24 -3.289 -13.639 4.336 1.00 0.00 C ATOM 404 O ASP A 24 -3.188 -12.790 5.221 1.00 0.00 O ATOM 405 CB ASP A 24 -4.623 -15.752 4.464 1.00 0.00 C ATOM 406 CG ASP A 24 -4.658 -15.902 5.973 1.00 0.00 C ATOM 407 OD1 ASP A 24 -5.232 -15.019 6.644 1.00 0.00 O ATOM 408 OD2 ASP A 24 -4.111 -16.903 6.481 1.00 0.00 O ATOM 0 H ASP A 24 -5.001 -15.079 2.120 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.415 -13.765 4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.482 -16.264 4.031 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.730 -16.240 4.074 1.00 0.00 H new ATOM 413 N TYR A 25 -2.258 -14.040 3.595 1.00 0.00 N ATOM 414 CA TYR A 25 -0.925 -13.489 3.790 1.00 0.00 C ATOM 415 C TYR A 25 -0.884 -12.023 3.393 1.00 0.00 C ATOM 416 O TYR A 25 -0.366 -11.190 4.135 1.00 0.00 O ATOM 417 CB TYR A 25 0.113 -14.284 2.995 1.00 0.00 C ATOM 418 CG TYR A 25 1.529 -13.788 3.185 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.237 -14.074 4.345 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.158 -13.034 2.201 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.529 -13.623 4.522 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.452 -12.579 2.371 1.00 0.00 C ATOM 423 CZ TYR A 25 4.133 -12.876 3.533 1.00 0.00 C ATOM 424 OH TYR A 25 5.422 -12.425 3.705 1.00 0.00 O ATOM 0 H TYR A 25 -2.323 -14.742 2.858 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.681 -13.566 4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.061 -15.332 3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.140 -14.239 1.936 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.768 -14.660 5.122 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.627 -12.800 1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.065 -13.854 5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.927 -11.994 1.598 1.00 0.00 H new ATOM 0 HH TYR A 25 5.698 -11.915 2.915 1.00 0.00 H new ATOM 434 N LEU A 26 -1.453 -11.699 2.234 1.00 0.00 N ATOM 435 CA LEU A 26 -1.481 -10.314 1.787 1.00 0.00 C ATOM 436 C LEU A 26 -2.174 -9.481 2.845 1.00 0.00 C ATOM 437 O LEU A 26 -1.721 -8.389 3.193 1.00 0.00 O ATOM 438 CB LEU A 26 -2.200 -10.180 0.445 1.00 0.00 C ATOM 439 CG LEU A 26 -1.823 -8.941 -0.367 1.00 0.00 C ATOM 440 CD1 LEU A 26 -2.625 -8.878 -1.656 1.00 0.00 C ATOM 441 CD2 LEU A 26 -2.036 -7.679 0.458 1.00 0.00 C ATOM 0 H LEU A 26 -1.893 -12.365 1.599 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.460 -9.961 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.989 -11.066 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.275 -10.165 0.625 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.767 -9.010 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.341 -7.989 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.422 -9.766 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.688 -8.834 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.763 -6.806 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.084 -7.607 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.414 -7.719 1.352 1.00 0.00 H new ATOM 453 N TYR A 27 -3.249 -10.033 3.394 1.00 0.00 N ATOM 454 CA TYR A 27 -3.971 -9.363 4.460 1.00 0.00 C ATOM 455 C TYR A 27 -3.024 -9.168 5.638 1.00 0.00 C ATOM 456 O TYR A 27 -3.089 -8.164 6.346 1.00 0.00 O ATOM 457 CB TYR A 27 -5.190 -10.182 4.892 1.00 0.00 C ATOM 458 CG TYR A 27 -6.470 -9.775 4.198 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.879 -8.447 4.176 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.268 -10.719 3.564 1.00 0.00 C ATOM 461 CE1 TYR A 27 -8.049 -8.072 3.542 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.440 -10.350 2.930 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.824 -9.028 2.921 1.00 0.00 C ATOM 464 OH TYR A 27 -9.990 -8.657 2.288 1.00 0.00 O ATOM 0 H TYR A 27 -3.635 -10.936 3.119 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.330 -8.397 4.103 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.998 -11.236 4.693 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.322 -10.080 5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.273 -7.696 4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.968 -11.757 3.566 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.354 -7.036 3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.052 -11.096 2.444 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.418 -9.449 1.900 1.00 0.00 H new ATOM 474 N ASP A 28 -2.120 -10.137 5.823 1.00 0.00 N ATOM 475 CA ASP A 28 -1.139 -10.068 6.891 1.00 0.00 C ATOM 476 C ASP A 28 -0.081 -9.016 6.571 1.00 0.00 C ATOM 477 O ASP A 28 0.446 -8.361 7.469 1.00 0.00 O ATOM 478 CB ASP A 28 -0.475 -11.432 7.096 1.00 0.00 C ATOM 479 CG ASP A 28 0.322 -11.500 8.383 1.00 0.00 C ATOM 480 OD1 ASP A 28 -0.247 -11.192 9.452 1.00 0.00 O ATOM 481 OD2 ASP A 28 1.516 -11.863 8.323 1.00 0.00 O ATOM 0 H ASP A 28 -2.054 -10.974 5.243 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.651 -9.786 7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.241 -12.208 7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.183 -11.643 6.253 1.00 0.00 H new ATOM 486 N VAL A 29 0.222 -8.852 5.282 1.00 0.00 N ATOM 487 CA VAL A 29 1.213 -7.871 4.856 1.00 0.00 C ATOM 488 C VAL A 29 0.735 -6.456 5.153 1.00 0.00 C ATOM 489 O VAL A 29 1.424 -5.683 5.819 1.00 0.00 O ATOM 490 CB VAL A 29 1.522 -7.996 3.351 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.582 -6.987 2.932 1.00 0.00 C ATOM 492 CG2 VAL A 29 1.965 -9.411 3.011 1.00 0.00 C ATOM 0 H VAL A 29 -0.203 -9.383 4.522 1.00 0.00 H new ATOM 0 HA VAL A 29 2.125 -8.073 5.418 1.00 0.00 H new ATOM 0 HB VAL A 29 0.609 -7.780 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.784 -7.093 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.224 -5.978 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.498 -7.167 3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.178 -9.479 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.863 -9.657 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.171 -10.112 3.268 1.00 0.00 H new ATOM 502 N LEU A 30 -0.454 -6.123 4.661 1.00 0.00 N ATOM 503 CA LEU A 30 -1.026 -4.800 4.883 1.00 0.00 C ATOM 504 C LEU A 30 -1.204 -4.544 6.374 1.00 0.00 C ATOM 505 O LEU A 30 -0.997 -3.430 6.856 1.00 0.00 O ATOM 506 CB LEU A 30 -2.371 -4.672 4.164 1.00 0.00 C ATOM 507 CG LEU A 30 -2.335 -4.978 2.666 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.731 -5.299 2.154 1.00 0.00 C ATOM 509 CD2 LEU A 30 -1.741 -3.808 1.897 1.00 0.00 C ATOM 0 H LEU A 30 -1.039 -6.749 4.107 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.341 -4.056 4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.086 -5.344 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.745 -3.658 4.303 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.701 -5.851 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.686 -5.514 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.122 -6.168 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.387 -4.445 2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.723 -4.043 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.349 -2.918 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.725 -3.623 2.245 1.00 0.00 H new ATOM 521 N ARG A 31 -1.584 -5.590 7.101 1.00 0.00 N ATOM 522 CA ARG A 31 -1.786 -5.490 8.541 1.00 0.00 C ATOM 523 C ARG A 31 -0.466 -5.199 9.246 1.00 0.00 C ATOM 524 O ARG A 31 -0.398 -4.342 10.128 1.00 0.00 O ATOM 525 CB ARG A 31 -2.396 -6.782 9.086 1.00 0.00 C ATOM 526 CG ARG A 31 -3.170 -6.592 10.381 1.00 0.00 C ATOM 527 CD ARG A 31 -4.470 -7.381 10.378 1.00 0.00 C ATOM 528 NE ARG A 31 -4.653 -8.141 11.613 1.00 0.00 N ATOM 529 CZ ARG A 31 -5.738 -8.861 11.887 1.00 0.00 C ATOM 530 NH1 ARG A 31 -6.739 -8.922 11.017 1.00 0.00 N ATOM 531 NH2 ARG A 31 -5.824 -9.523 13.033 1.00 0.00 N ATOM 0 H ARG A 31 -1.758 -6.518 6.715 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.475 -4.668 8.733 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.062 -7.205 8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.600 -7.508 9.252 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.554 -6.908 11.223 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.387 -5.533 10.524 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.309 -6.697 10.246 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.478 -8.063 9.528 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.905 -8.118 12.306 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.679 -8.416 10.134 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.568 -9.475 11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.058 -9.480 13.705 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.656 -10.075 13.242 1.00 0.00 H new ATOM 545 N MET A 32 0.582 -5.913 8.846 1.00 0.00 N ATOM 546 CA MET A 32 1.901 -5.725 9.437 1.00 0.00 C ATOM 547 C MET A 32 2.453 -4.350 9.080 1.00 0.00 C ATOM 548 O MET A 32 3.048 -3.671 9.918 1.00 0.00 O ATOM 549 CB MET A 32 2.860 -6.818 8.959 1.00 0.00 C ATOM 550 CG MET A 32 3.532 -7.574 10.092 1.00 0.00 C ATOM 551 SD MET A 32 5.215 -8.079 9.690 1.00 0.00 S ATOM 552 CE MET A 32 6.141 -6.656 10.259 1.00 0.00 C ATOM 0 H MET A 32 0.543 -6.625 8.117 1.00 0.00 H new ATOM 0 HA MET A 32 1.806 -5.792 10.521 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.311 -7.525 8.337 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.627 -6.367 8.329 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.549 -6.946 10.983 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.941 -8.457 10.335 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.049 -6.552 9.665 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.532 -5.759 10.151 1.00 0.00 H new ATOM 0 HE3 MET A 32 6.406 -6.790 11.308 1.00 0.00 H new ATOM 562 N TYR A 33 2.246 -3.944 7.832 1.00 0.00 N ATOM 563 CA TYR A 33 2.719 -2.647 7.360 1.00 0.00 C ATOM 564 C TYR A 33 2.124 -1.519 8.198 1.00 0.00 C ATOM 565 O TYR A 33 2.799 -0.536 8.497 1.00 0.00 O ATOM 566 CB TYR A 33 2.354 -2.455 5.885 1.00 0.00 C ATOM 567 CG TYR A 33 2.678 -1.076 5.352 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.876 -0.450 5.674 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.784 -0.400 4.530 1.00 0.00 C ATOM 570 CE1 TYR A 33 4.173 0.810 5.192 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.074 0.860 4.045 1.00 0.00 C ATOM 572 CZ TYR A 33 3.271 1.461 4.378 1.00 0.00 C ATOM 573 OH TYR A 33 3.563 2.717 3.896 1.00 0.00 O ATOM 0 H TYR A 33 1.754 -4.494 7.128 1.00 0.00 H new ATOM 0 HA TYR A 33 3.804 -2.619 7.463 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.883 -3.199 5.289 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.288 -2.643 5.756 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.586 -0.956 6.311 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.847 -0.868 4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.108 1.283 5.452 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.368 1.372 3.408 1.00 0.00 H new ATOM 0 HH TYR A 33 3.005 3.381 4.353 1.00 0.00 H new ATOM 583 N HIS A 34 0.859 -1.668 8.571 1.00 0.00 N ATOM 584 CA HIS A 34 0.176 -0.659 9.373 1.00 0.00 C ATOM 585 C HIS A 34 0.720 -0.635 10.798 1.00 0.00 C ATOM 586 O HIS A 34 0.724 0.406 11.454 1.00 0.00 O ATOM 587 CB HIS A 34 -1.330 -0.926 9.393 1.00 0.00 C ATOM 588 CG HIS A 34 -2.151 0.302 9.630 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.255 1.327 8.714 1.00 0.00 N ATOM 590 CD2 HIS A 34 -2.913 0.668 10.688 1.00 0.00 C ATOM 591 CE1 HIS A 34 -3.044 2.271 9.198 1.00 0.00 C ATOM 592 NE2 HIS A 34 -3.455 1.895 10.395 1.00 0.00 N ATOM 0 H HIS A 34 0.285 -2.477 8.332 1.00 0.00 H new ATOM 0 HA HIS A 34 0.359 0.315 8.918 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.624 -1.372 8.443 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.551 -1.657 10.171 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.795 1.353 7.804 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.066 0.100 11.594 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.307 3.192 8.699 1.00 0.00 H new ATOM 601 N GLN A 35 1.175 -1.789 11.273 1.00 0.00 N ATOM 602 CA GLN A 35 1.717 -1.901 12.623 1.00 0.00 C ATOM 603 C GLN A 35 3.139 -1.359 12.692 1.00 0.00 C ATOM 604 O GLN A 35 3.441 -0.470 13.488 1.00 0.00 O ATOM 605 CB GLN A 35 1.694 -3.359 13.085 1.00 0.00 C ATOM 606 CG GLN A 35 1.601 -3.516 14.596 1.00 0.00 C ATOM 607 CD GLN A 35 0.450 -4.408 15.021 1.00 0.00 C ATOM 608 OE1 GLN A 35 -0.531 -4.563 14.294 1.00 0.00 O ATOM 609 NE2 GLN A 35 0.565 -4.995 16.206 1.00 0.00 N ATOM 0 H GLN A 35 1.180 -2.661 10.743 1.00 0.00 H new ATOM 0 HA GLN A 35 1.090 -1.304 13.285 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.847 -3.865 12.622 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.596 -3.858 12.731 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.536 -3.932 14.972 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.482 -2.534 15.053 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.397 -4.837 16.775 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.179 -5.604 16.548 1.00 0.00 H new ATOM 618 N THR A 36 4.010 -1.906 11.856 1.00 0.00 N ATOM 619 CA THR A 36 5.409 -1.488 11.821 1.00 0.00 C ATOM 620 C THR A 36 5.574 -0.165 11.077 1.00 0.00 C ATOM 621 O THR A 36 6.511 0.589 11.337 1.00 0.00 O ATOM 622 CB THR A 36 6.270 -2.566 11.161 1.00 0.00 C ATOM 623 OG1 THR A 36 7.579 -2.085 10.921 1.00 0.00 O ATOM 624 CG2 THR A 36 5.712 -3.059 9.844 1.00 0.00 C ATOM 0 H THR A 36 3.774 -2.642 11.190 1.00 0.00 H new ATOM 0 HA THR A 36 5.739 -1.345 12.850 1.00 0.00 H new ATOM 0 HB THR A 36 6.278 -3.398 11.865 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.114 -2.790 10.500 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.373 -3.822 9.432 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.722 -3.485 10.005 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.639 -2.226 9.145 1.00 0.00 H new ATOM 632 N MET A 37 4.662 0.113 10.151 1.00 0.00 N ATOM 633 CA MET A 37 4.715 1.346 9.371 1.00 0.00 C ATOM 634 C MET A 37 5.961 1.371 8.488 1.00 0.00 C ATOM 635 O MET A 37 6.606 2.409 8.335 1.00 0.00 O ATOM 636 CB MET A 37 4.695 2.563 10.299 1.00 0.00 C ATOM 637 CG MET A 37 3.436 3.405 10.169 1.00 0.00 C ATOM 638 SD MET A 37 2.168 2.948 11.366 1.00 0.00 S ATOM 639 CE MET A 37 0.714 2.900 10.319 1.00 0.00 C ATOM 0 H MET A 37 3.878 -0.498 9.922 1.00 0.00 H new ATOM 0 HA MET A 37 3.837 1.384 8.727 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.791 2.225 11.331 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.563 3.187 10.086 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.692 4.456 10.300 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.034 3.298 9.161 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.127 2.495 10.882 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.473 3.909 9.984 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.910 2.267 9.453 1.00 0.00 H new ATOM 649 N ASP A 38 6.291 0.221 7.908 1.00 0.00 N ATOM 650 CA ASP A 38 7.459 0.108 7.042 1.00 0.00 C ATOM 651 C ASP A 38 7.051 -0.278 5.623 1.00 0.00 C ATOM 652 O ASP A 38 6.579 -1.389 5.383 1.00 0.00 O ATOM 653 CB ASP A 38 8.437 -0.926 7.603 1.00 0.00 C ATOM 654 CG ASP A 38 9.881 -0.575 7.308 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.269 0.589 7.541 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.625 -1.465 6.845 1.00 0.00 O ATOM 0 H ASP A 38 5.766 -0.646 8.022 1.00 0.00 H new ATOM 0 HA ASP A 38 7.949 1.081 7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.298 -1.006 8.681 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.210 -1.904 7.179 1.00 0.00 H new ATOM 661 N VAL A 39 7.240 0.648 4.689 1.00 0.00 N ATOM 662 CA VAL A 39 6.895 0.406 3.294 1.00 0.00 C ATOM 663 C VAL A 39 7.814 -0.642 2.671 1.00 0.00 C ATOM 664 O VAL A 39 7.451 -1.298 1.694 1.00 0.00 O ATOM 665 CB VAL A 39 6.982 1.702 2.462 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.446 1.472 1.055 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.231 2.831 3.152 1.00 0.00 C ATOM 0 H VAL A 39 7.630 1.572 4.873 1.00 0.00 H new ATOM 0 HA VAL A 39 5.869 0.039 3.283 1.00 0.00 H new ATOM 0 HB VAL A 39 8.030 1.991 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.516 2.397 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.034 0.697 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.404 1.157 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.303 3.737 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.183 2.554 3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.668 3.012 4.134 1.00 0.00 H new ATOM 677 N ALA A 40 9.001 -0.802 3.248 1.00 0.00 N ATOM 678 CA ALA A 40 9.965 -1.772 2.752 1.00 0.00 C ATOM 679 C ALA A 40 9.531 -3.187 3.103 1.00 0.00 C ATOM 680 O ALA A 40 9.898 -4.147 2.427 1.00 0.00 O ATOM 681 CB ALA A 40 11.347 -1.484 3.319 1.00 0.00 C ATOM 0 H ALA A 40 9.316 -0.271 4.060 1.00 0.00 H new ATOM 0 HA ALA A 40 10.010 -1.687 1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.057 -2.218 2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.663 -0.485 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.313 -1.542 4.407 1.00 0.00 H new ATOM 687 N VAL A 41 8.743 -3.307 4.166 1.00 0.00 N ATOM 688 CA VAL A 41 8.255 -4.602 4.604 1.00 0.00 C ATOM 689 C VAL A 41 7.086 -5.063 3.738 1.00 0.00 C ATOM 690 O VAL A 41 7.039 -6.214 3.303 1.00 0.00 O ATOM 691 CB VAL A 41 7.823 -4.570 6.086 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.204 -5.899 6.500 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.006 -4.229 6.977 1.00 0.00 C ATOM 0 H VAL A 41 8.431 -2.522 4.737 1.00 0.00 H new ATOM 0 HA VAL A 41 9.077 -5.310 4.499 1.00 0.00 H new ATOM 0 HB VAL A 41 7.067 -3.794 6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.908 -5.852 7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.328 -6.100 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.933 -6.698 6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.684 -4.211 8.018 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.785 -4.981 6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.399 -3.250 6.701 1.00 0.00 H new ATOM 703 N LEU A 42 6.148 -4.155 3.488 1.00 0.00 N ATOM 704 CA LEU A 42 4.984 -4.472 2.671 1.00 0.00 C ATOM 705 C LEU A 42 5.407 -4.818 1.245 1.00 0.00 C ATOM 706 O LEU A 42 4.854 -5.729 0.630 1.00 0.00 O ATOM 707 CB LEU A 42 3.991 -3.303 2.673 1.00 0.00 C ATOM 708 CG LEU A 42 4.275 -2.190 1.660 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.692 -2.544 0.299 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.714 -0.865 2.157 1.00 0.00 C ATOM 0 H LEU A 42 6.172 -3.197 3.838 1.00 0.00 H new ATOM 0 HA LEU A 42 4.489 -5.343 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.993 -3.697 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.975 -2.865 3.671 1.00 0.00 H new ATOM 0 HG LEU A 42 5.355 -2.088 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.904 -1.741 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.141 -3.471 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.613 -2.674 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.924 -0.084 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.636 -0.954 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.180 -0.607 3.108 1.00 0.00 H new ATOM 722 N VAL A 43 6.394 -4.090 0.729 1.00 0.00 N ATOM 723 CA VAL A 43 6.891 -4.333 -0.619 1.00 0.00 C ATOM 724 C VAL A 43 7.535 -5.712 -0.715 1.00 0.00 C ATOM 725 O VAL A 43 7.323 -6.443 -1.683 1.00 0.00 O ATOM 726 CB VAL A 43 7.914 -3.261 -1.048 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.419 -3.529 -2.458 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.302 -1.872 -0.952 1.00 0.00 C ATOM 0 H VAL A 43 6.863 -3.330 1.223 1.00 0.00 H new ATOM 0 HA VAL A 43 6.034 -4.284 -1.291 1.00 0.00 H new ATOM 0 HB VAL A 43 8.765 -3.310 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.139 -2.760 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.900 -4.507 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.580 -3.512 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.038 -1.128 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.432 -1.812 -1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.998 -1.679 0.077 1.00 0.00 H new ATOM 738 N GLY A 44 8.318 -6.067 0.302 1.00 0.00 N ATOM 739 CA GLY A 44 8.974 -7.361 0.313 1.00 0.00 C ATOM 740 C GLY A 44 7.982 -8.501 0.203 1.00 0.00 C ATOM 741 O GLY A 44 8.111 -9.368 -0.662 1.00 0.00 O ATOM 0 H GLY A 44 8.508 -5.482 1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.682 -7.416 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.549 -7.468 1.233 1.00 0.00 H new ATOM 745 N ASP A 45 6.982 -8.495 1.079 1.00 0.00 N ATOM 746 CA ASP A 45 5.956 -9.530 1.071 1.00 0.00 C ATOM 747 C ASP A 45 5.210 -9.525 -0.260 1.00 0.00 C ATOM 748 O ASP A 45 4.947 -10.580 -0.842 1.00 0.00 O ATOM 749 CB ASP A 45 4.974 -9.314 2.223 1.00 0.00 C ATOM 750 CG ASP A 45 5.678 -9.085 3.546 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.826 -9.551 3.696 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.080 -8.439 4.431 1.00 0.00 O ATOM 0 H ASP A 45 6.861 -7.786 1.802 1.00 0.00 H new ATOM 0 HA ASP A 45 6.440 -10.498 1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.338 -8.457 1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.320 -10.182 2.308 1.00 0.00 H new ATOM 757 N LEU A 46 4.881 -8.329 -0.741 1.00 0.00 N ATOM 758 CA LEU A 46 4.175 -8.184 -2.007 1.00 0.00 C ATOM 759 C LEU A 46 4.899 -8.948 -3.110 1.00 0.00 C ATOM 760 O LEU A 46 4.270 -9.541 -3.984 1.00 0.00 O ATOM 761 CB LEU A 46 4.050 -6.706 -2.387 1.00 0.00 C ATOM 762 CG LEU A 46 2.755 -6.025 -1.937 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.731 -4.573 -2.389 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.540 -6.771 -2.475 1.00 0.00 C ATOM 0 H LEU A 46 5.093 -7.448 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 46 3.174 -8.600 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.894 -6.165 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.131 -6.618 -3.470 1.00 0.00 H new ATOM 0 HG LEU A 46 2.717 -6.048 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.803 -4.105 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.579 -4.043 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.794 -4.529 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.630 -6.271 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.572 -6.781 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.547 -7.795 -2.102 1.00 0.00 H new ATOM 776 N LYS A 47 6.227 -8.939 -3.055 1.00 0.00 N ATOM 777 CA LYS A 47 7.036 -9.643 -4.042 1.00 0.00 C ATOM 778 C LYS A 47 6.882 -11.151 -3.872 1.00 0.00 C ATOM 779 O LYS A 47 6.605 -11.875 -4.830 1.00 0.00 O ATOM 780 CB LYS A 47 8.508 -9.247 -3.907 1.00 0.00 C ATOM 781 CG LYS A 47 8.932 -8.146 -4.868 1.00 0.00 C ATOM 782 CD LYS A 47 9.408 -6.902 -4.127 1.00 0.00 C ATOM 783 CE LYS A 47 10.847 -6.560 -4.476 1.00 0.00 C ATOM 784 NZ LYS A 47 11.629 -6.155 -3.276 1.00 0.00 N ATOM 0 H LYS A 47 6.765 -8.452 -2.338 1.00 0.00 H new ATOM 0 HA LYS A 47 6.689 -9.363 -5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.695 -8.918 -2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.129 -10.126 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.731 -8.513 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.094 -7.886 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.762 -6.060 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.322 -7.063 -3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.322 -7.422 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.861 -5.752 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.605 -5.930 -3.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.191 -5.317 -2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.638 -6.935 -2.588 1.00 0.00 H new ATOM 798 N LEU A 48 7.055 -11.618 -2.636 1.00 0.00 N ATOM 799 CA LEU A 48 6.930 -13.039 -2.330 1.00 0.00 C ATOM 800 C LEU A 48 5.607 -13.589 -2.852 1.00 0.00 C ATOM 801 O LEU A 48 5.492 -14.778 -3.154 1.00 0.00 O ATOM 802 CB LEU A 48 7.030 -13.266 -0.821 1.00 0.00 C ATOM 803 CG LEU A 48 8.457 -13.270 -0.260 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.605 -12.229 0.840 1.00 0.00 C ATOM 805 CD2 LEU A 48 8.825 -14.652 0.260 1.00 0.00 C ATOM 0 H LEU A 48 7.282 -11.032 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 48 7.745 -13.568 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.458 -12.489 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.558 -14.219 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 48 9.142 -13.014 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.625 -12.248 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.388 -11.240 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.908 -12.452 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.841 -14.634 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.134 -14.938 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.764 -15.375 -0.553 1.00 0.00 H new ATOM 817 N VAL A 49 4.612 -12.715 -2.966 1.00 0.00 N ATOM 818 CA VAL A 49 3.301 -13.110 -3.464 1.00 0.00 C ATOM 819 C VAL A 49 3.143 -12.718 -4.927 1.00 0.00 C ATOM 820 O VAL A 49 2.404 -13.355 -5.678 1.00 0.00 O ATOM 821 CB VAL A 49 2.168 -12.463 -2.643 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.812 -12.996 -3.084 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.385 -12.701 -1.156 1.00 0.00 C ATOM 0 H VAL A 49 4.690 -11.728 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 49 3.231 -14.193 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 49 2.183 -11.388 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.026 -12.526 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.657 -12.768 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.780 -14.076 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.576 -12.237 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.399 -13.773 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.336 -12.264 -0.853 1.00 0.00 H new ATOM 833 N ILE A 50 3.843 -11.660 -5.324 1.00 0.00 N ATOM 834 CA ILE A 50 3.787 -11.174 -6.695 1.00 0.00 C ATOM 835 C ILE A 50 5.046 -11.551 -7.469 1.00 0.00 C ATOM 836 O ILE A 50 5.415 -10.897 -8.443 1.00 0.00 O ATOM 837 CB ILE A 50 3.596 -9.646 -6.733 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.371 -9.243 -5.910 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.452 -9.158 -8.164 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.383 -7.791 -5.488 1.00 0.00 C ATOM 0 H ILE A 50 4.457 -11.122 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 50 2.929 -11.650 -7.170 1.00 0.00 H new ATOM 0 HB ILE A 50 4.480 -9.179 -6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.471 -9.437 -6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.317 -9.872 -5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.318 -8.076 -8.168 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.349 -9.415 -8.728 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.586 -9.632 -8.625 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.486 -7.573 -4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.265 -7.597 -4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.406 -7.155 -6.373 1.00 0.00 H new ATOM 852 N ASN A 51 5.696 -12.621 -7.033 1.00 0.00 N ATOM 853 CA ASN A 51 6.911 -13.101 -7.683 1.00 0.00 C ATOM 854 C ASN A 51 6.725 -13.186 -9.197 1.00 0.00 C ATOM 855 O ASN A 51 7.683 -13.054 -9.959 1.00 0.00 O ATOM 856 CB ASN A 51 7.302 -14.473 -7.130 1.00 0.00 C ATOM 857 CG ASN A 51 6.131 -15.436 -7.092 1.00 0.00 C ATOM 858 OD1 ASN A 51 5.088 -15.139 -6.512 1.00 0.00 O ATOM 859 ND2 ASN A 51 6.300 -16.597 -7.712 1.00 0.00 N ATOM 0 H ASN A 51 5.402 -13.176 -6.229 1.00 0.00 H new ATOM 0 HA ASN A 51 7.709 -12.389 -7.473 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.097 -14.896 -7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.705 -14.355 -6.124 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.547 -17.285 -7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.183 -16.801 -8.181 1.00 0.00 H new ATOM 866 N GLU A 52 5.483 -13.400 -9.625 1.00 0.00 N ATOM 867 CA GLU A 52 5.168 -13.496 -11.045 1.00 0.00 C ATOM 868 C GLU A 52 4.638 -12.164 -11.573 1.00 0.00 C ATOM 869 O GLU A 52 4.052 -11.381 -10.825 1.00 0.00 O ATOM 870 CB GLU A 52 4.136 -14.600 -11.286 1.00 0.00 C ATOM 871 CG GLU A 52 4.475 -15.912 -10.596 1.00 0.00 C ATOM 872 CD GLU A 52 5.017 -16.952 -11.554 1.00 0.00 C ATOM 873 OE1 GLU A 52 6.115 -16.735 -12.109 1.00 0.00 O ATOM 874 OE2 GLU A 52 4.344 -17.987 -11.752 1.00 0.00 O ATOM 0 H GLU A 52 4.679 -13.510 -9.007 1.00 0.00 H new ATOM 0 HA GLU A 52 6.085 -13.742 -11.581 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.162 -14.257 -10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.048 -14.775 -12.358 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.210 -15.727 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.582 -16.303 -10.109 1.00 0.00 H new ATOM 881 N PRO A 53 4.839 -11.887 -12.872 1.00 0.00 N ATOM 882 CA PRO A 53 4.382 -10.642 -13.497 1.00 0.00 C ATOM 883 C PRO A 53 2.861 -10.534 -13.554 1.00 0.00 C ATOM 884 O PRO A 53 2.315 -9.444 -13.724 1.00 0.00 O ATOM 885 CB PRO A 53 4.966 -10.709 -14.907 1.00 0.00 C ATOM 886 CG PRO A 53 5.174 -12.157 -15.160 1.00 0.00 C ATOM 887 CD PRO A 53 5.531 -12.763 -13.834 1.00 0.00 C ATOM 0 HA PRO A 53 4.704 -9.769 -12.930 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.286 -10.273 -15.639 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.903 -10.157 -14.974 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.273 -12.615 -15.568 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.970 -12.315 -15.888 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.190 -13.795 -13.757 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.609 -12.770 -13.671 1.00 0.00 H new ATOM 895 N SER A 54 2.181 -11.668 -13.417 1.00 0.00 N ATOM 896 CA SER A 54 0.723 -11.694 -13.460 1.00 0.00 C ATOM 897 C SER A 54 0.122 -10.920 -12.290 1.00 0.00 C ATOM 898 O SER A 54 -0.895 -10.243 -12.440 1.00 0.00 O ATOM 899 CB SER A 54 0.218 -13.139 -13.440 1.00 0.00 C ATOM 900 OG SER A 54 0.770 -13.885 -14.512 1.00 0.00 O ATOM 0 H SER A 54 2.615 -12.580 -13.275 1.00 0.00 H new ATOM 0 HA SER A 54 0.407 -11.214 -14.386 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.483 -13.607 -12.492 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.870 -13.149 -13.508 1.00 0.00 H new ATOM 0 HG SER A 54 0.434 -14.805 -14.477 1.00 0.00 H new ATOM 906 N ARG A 55 0.754 -11.026 -11.125 1.00 0.00 N ATOM 907 CA ARG A 55 0.275 -10.337 -9.929 1.00 0.00 C ATOM 908 C ARG A 55 0.852 -8.923 -9.823 1.00 0.00 C ATOM 909 O ARG A 55 0.729 -8.274 -8.784 1.00 0.00 O ATOM 910 CB ARG A 55 0.637 -11.141 -8.678 1.00 0.00 C ATOM 911 CG ARG A 55 -0.204 -12.393 -8.498 1.00 0.00 C ATOM 912 CD ARG A 55 0.527 -13.443 -7.677 1.00 0.00 C ATOM 913 NE ARG A 55 0.047 -14.793 -7.962 1.00 0.00 N ATOM 914 CZ ARG A 55 0.273 -15.842 -7.174 1.00 0.00 C ATOM 915 NH1 ARG A 55 0.974 -15.701 -6.056 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.204 -17.033 -7.507 1.00 0.00 N ATOM 0 H ARG A 55 1.598 -11.581 -10.983 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.809 -10.253 -10.007 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.689 -11.423 -8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.520 -10.505 -7.801 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.142 -12.135 -8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.458 -12.805 -9.475 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.595 -13.387 -7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.397 -13.229 -6.616 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.493 -14.941 -8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.342 -14.786 -5.797 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.144 -16.508 -5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.743 -17.145 -8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.032 -17.838 -6.905 1.00 0.00 H new ATOM 930 N LEU A 56 1.475 -8.450 -10.899 1.00 0.00 N ATOM 931 CA LEU A 56 2.065 -7.114 -10.920 1.00 0.00 C ATOM 932 C LEU A 56 1.055 -6.034 -10.516 1.00 0.00 C ATOM 933 O LEU A 56 1.372 -5.151 -9.719 1.00 0.00 O ATOM 934 CB LEU A 56 2.622 -6.805 -12.311 1.00 0.00 C ATOM 935 CG LEU A 56 4.089 -7.189 -12.521 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.385 -7.377 -14.000 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.004 -6.133 -11.921 1.00 0.00 C ATOM 0 H LEU A 56 1.585 -8.972 -11.768 1.00 0.00 H new ATOM 0 HA LEU A 56 2.874 -7.105 -10.189 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.016 -7.326 -13.052 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.511 -5.738 -12.501 1.00 0.00 H new ATOM 0 HG LEU A 56 4.275 -8.135 -12.013 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.432 -7.650 -14.130 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.752 -8.169 -14.400 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.183 -6.447 -14.532 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.044 -6.420 -12.078 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.816 -5.173 -12.402 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.809 -6.048 -10.852 1.00 0.00 H new ATOM 949 N PRO A 57 -0.176 -6.081 -11.066 1.00 0.00 N ATOM 950 CA PRO A 57 -1.219 -5.094 -10.761 1.00 0.00 C ATOM 951 C PRO A 57 -1.294 -4.725 -9.279 1.00 0.00 C ATOM 952 O PRO A 57 -1.699 -3.616 -8.932 1.00 0.00 O ATOM 953 CB PRO A 57 -2.493 -5.806 -11.204 1.00 0.00 C ATOM 954 CG PRO A 57 -2.059 -6.653 -12.350 1.00 0.00 C ATOM 955 CD PRO A 57 -0.650 -7.090 -12.037 1.00 0.00 C ATOM 0 HA PRO A 57 -1.035 -4.143 -11.260 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.912 -6.410 -10.399 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.263 -5.095 -11.503 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.717 -7.514 -12.469 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.095 -6.093 -13.284 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.627 -8.094 -11.614 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.028 -7.107 -12.932 1.00 0.00 H new ATOM 963 N LEU A 58 -0.905 -5.652 -8.410 1.00 0.00 N ATOM 964 CA LEU A 58 -0.935 -5.407 -6.969 1.00 0.00 C ATOM 965 C LEU A 58 -0.140 -4.156 -6.608 1.00 0.00 C ATOM 966 O LEU A 58 -0.571 -3.349 -5.784 1.00 0.00 O ATOM 967 CB LEU A 58 -0.383 -6.615 -6.210 1.00 0.00 C ATOM 968 CG LEU A 58 -1.407 -7.369 -5.360 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.743 -8.520 -4.622 1.00 0.00 C ATOM 970 CD2 LEU A 58 -2.087 -6.423 -4.378 1.00 0.00 C ATOM 0 H LEU A 58 -0.566 -6.577 -8.675 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.974 -5.249 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.051 -7.309 -6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.427 -6.279 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.168 -7.780 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.487 -9.045 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.305 -9.210 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.040 -8.131 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.812 -6.977 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.338 -5.981 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.598 -5.633 -4.928 1.00 0.00 H new ATOM 982 N PHE A 59 1.025 -4.002 -7.227 1.00 0.00 N ATOM 983 CA PHE A 59 1.883 -2.851 -6.966 1.00 0.00 C ATOM 984 C PHE A 59 1.174 -1.547 -7.321 1.00 0.00 C ATOM 985 O PHE A 59 1.185 -0.593 -6.542 1.00 0.00 O ATOM 986 CB PHE A 59 3.184 -2.970 -7.762 1.00 0.00 C ATOM 987 CG PHE A 59 4.148 -3.971 -7.192 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.931 -5.330 -7.351 1.00 0.00 C ATOM 989 CD2 PHE A 59 5.272 -3.552 -6.497 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.816 -6.253 -6.828 1.00 0.00 C ATOM 991 CE2 PHE A 59 6.161 -4.471 -5.973 1.00 0.00 C ATOM 992 CZ PHE A 59 5.933 -5.822 -6.138 1.00 0.00 C ATOM 0 H PHE A 59 1.397 -4.659 -7.913 1.00 0.00 H new ATOM 0 HA PHE A 59 2.114 -2.837 -5.901 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.948 -3.249 -8.789 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.667 -1.994 -7.801 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.060 -5.672 -7.890 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.455 -2.496 -6.364 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.635 -7.310 -6.958 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.034 -4.132 -5.435 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.627 -6.541 -5.728 1.00 0.00 H new ATOM 1002 N ASP A 60 0.556 -1.514 -8.497 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.159 -0.328 -8.952 1.00 0.00 C ATOM 1004 C ASP A 60 -1.485 -0.182 -8.219 1.00 0.00 C ATOM 1005 O ASP A 60 -1.985 0.924 -8.029 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.399 -0.397 -10.461 1.00 0.00 C ATOM 1007 CG ASP A 60 0.890 -0.343 -11.256 1.00 0.00 C ATOM 1008 OD1 ASP A 60 1.789 -1.167 -10.986 1.00 0.00 O ATOM 1009 OD2 ASP A 60 1.001 0.523 -12.149 1.00 0.00 O ATOM 0 H ASP A 60 0.536 -2.295 -9.152 1.00 0.00 H new ATOM 0 HA ASP A 60 0.456 0.545 -8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.931 -1.318 -10.699 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.043 0.430 -10.762 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.053 -1.311 -7.817 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.323 -1.327 -7.106 1.00 0.00 C ATOM 1016 C ALA A 61 -3.198 -0.710 -5.715 1.00 0.00 C ATOM 1017 O ALA A 61 -4.012 0.124 -5.316 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.835 -2.754 -7.008 1.00 0.00 C ATOM 0 H ALA A 61 -1.650 -2.235 -7.973 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.035 -0.722 -7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.786 -2.764 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.976 -3.160 -8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.111 -3.364 -6.468 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.182 -1.141 -4.974 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.947 -0.654 -3.616 1.00 0.00 C ATOM 1026 C ILE A 62 -1.371 0.760 -3.604 1.00 0.00 C ATOM 1027 O ILE A 62 -1.657 1.547 -2.702 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.994 -1.590 -2.846 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.449 -3.045 -2.976 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -0.922 -1.185 -1.381 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.335 -4.046 -2.760 1.00 0.00 C ATOM 0 H ILE A 62 -1.503 -1.832 -5.293 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.920 -0.637 -3.124 1.00 0.00 H new ATOM 0 HB ILE A 62 0.002 -1.501 -3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.243 -3.235 -2.254 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.876 -3.197 -3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.245 -1.855 -0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.554 -0.162 -1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.916 -1.247 -0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.728 -5.057 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.450 -3.882 -3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.077 -3.921 -1.759 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.541 1.067 -4.593 1.00 0.00 N ATOM 1044 CA ARG A 63 0.104 2.379 -4.688 1.00 0.00 C ATOM 1045 C ARG A 63 -0.857 3.538 -4.381 1.00 0.00 C ATOM 1046 O ARG A 63 -0.561 4.377 -3.534 1.00 0.00 O ATOM 1047 CB ARG A 63 0.703 2.564 -6.083 1.00 0.00 C ATOM 1048 CG ARG A 63 2.064 3.240 -6.077 1.00 0.00 C ATOM 1049 CD ARG A 63 1.966 4.695 -5.645 1.00 0.00 C ATOM 1050 NE ARG A 63 2.545 5.600 -6.636 1.00 0.00 N ATOM 1051 CZ ARG A 63 1.905 6.017 -7.726 1.00 0.00 C ATOM 1052 NH1 ARG A 63 0.661 5.621 -7.969 1.00 0.00 N ATOM 1053 NH2 ARG A 63 2.510 6.835 -8.577 1.00 0.00 N ATOM 0 H ARG A 63 -0.295 0.425 -5.346 1.00 0.00 H new ATOM 0 HA ARG A 63 0.890 2.403 -3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.793 1.589 -6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.016 3.155 -6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.734 2.705 -5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.503 3.185 -7.073 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.920 4.956 -5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.478 4.826 -4.692 1.00 0.00 H new ATOM 0 HE ARG A 63 3.497 5.932 -6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.189 4.993 -7.318 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.177 5.945 -8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.465 7.144 -8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.020 7.155 -9.413 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.007 3.616 -5.072 1.00 0.00 N ATOM 1068 CA PRO A 64 -2.978 4.699 -4.863 1.00 0.00 C ATOM 1069 C PRO A 64 -3.502 4.772 -3.429 1.00 0.00 C ATOM 1070 O PRO A 64 -3.464 5.831 -2.802 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.119 4.366 -5.833 1.00 0.00 C ATOM 1072 CG PRO A 64 -3.928 2.930 -6.183 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.450 2.682 -6.117 1.00 0.00 C ATOM 0 HA PRO A 64 -2.521 5.673 -5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.091 4.532 -5.369 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.078 4.997 -6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.464 2.284 -5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.316 2.716 -7.179 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.225 1.648 -5.856 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.964 2.883 -7.071 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.004 3.653 -2.920 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.547 3.610 -1.566 1.00 0.00 C ATOM 1083 C LEU A 65 -3.495 3.995 -0.524 1.00 0.00 C ATOM 1084 O LEU A 65 -3.833 4.374 0.597 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.116 2.219 -1.262 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.113 1.197 -0.721 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.081 1.235 0.799 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.457 -0.200 -1.214 1.00 0.00 C ATOM 0 H LEU A 65 -4.047 2.766 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.352 4.342 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.924 2.327 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.558 1.820 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.122 1.457 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.363 0.502 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.786 2.230 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.071 1.000 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.733 -0.913 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.456 -0.470 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.428 -0.219 -2.303 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.221 3.891 -0.893 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.135 4.224 0.023 1.00 0.00 C ATOM 1102 C ILE A 66 -0.894 5.737 0.070 1.00 0.00 C ATOM 1103 O ILE A 66 -1.012 6.423 -0.945 1.00 0.00 O ATOM 1104 CB ILE A 66 0.170 3.479 -0.363 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.861 2.941 0.892 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.124 4.369 -1.154 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.599 1.640 0.663 1.00 0.00 C ATOM 0 H ILE A 66 -1.917 3.580 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.434 3.896 1.019 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.106 2.645 -1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.564 3.689 1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.115 2.794 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.024 3.807 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.637 4.699 -2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.394 5.238 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.065 1.317 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.897 0.878 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.368 1.787 -0.095 1.00 0.00 H new ATOM 1119 N PRO A 67 -0.543 6.272 1.255 1.00 0.00 N ATOM 1120 CA PRO A 67 -0.274 7.703 1.436 1.00 0.00 C ATOM 1121 C PRO A 67 0.540 8.303 0.317 1.00 0.00 C ATOM 1122 O PRO A 67 1.487 7.706 -0.197 1.00 0.00 O ATOM 1123 CB PRO A 67 0.499 7.745 2.750 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.032 6.590 3.526 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.369 5.523 2.516 1.00 0.00 C ATOM 0 HA PRO A 67 -1.193 8.289 1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.572 7.653 2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.338 8.686 3.276 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.707 6.229 4.241 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.915 6.878 4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.428 4.783 2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.277 4.985 2.790 1.00 0.00 H new ATOM 1133 N LEU A 68 0.141 9.504 -0.041 1.00 0.00 N ATOM 1134 CA LEU A 68 0.774 10.267 -1.085 1.00 0.00 C ATOM 1135 C LEU A 68 2.288 10.321 -0.890 1.00 0.00 C ATOM 1136 O LEU A 68 3.050 10.276 -1.857 1.00 0.00 O ATOM 1137 CB LEU A 68 0.171 11.656 -1.044 1.00 0.00 C ATOM 1138 CG LEU A 68 -0.855 11.946 -2.133 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -1.423 13.349 -1.974 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -0.240 11.768 -3.513 1.00 0.00 C ATOM 0 H LEU A 68 -0.647 9.983 0.395 1.00 0.00 H new ATOM 0 HA LEU A 68 0.605 9.801 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.302 11.802 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.976 12.387 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.673 11.233 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.154 13.537 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.906 13.438 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.616 14.078 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.990 11.980 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.599 12.454 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.112 10.742 -3.625 1.00 0.00 H new ATOM 1152 N LYS A 69 2.717 10.395 0.366 1.00 0.00 N ATOM 1153 CA LYS A 69 4.140 10.429 0.681 1.00 0.00 C ATOM 1154 C LYS A 69 4.741 9.044 0.478 1.00 0.00 C ATOM 1155 O LYS A 69 5.795 8.887 -0.144 1.00 0.00 O ATOM 1156 CB LYS A 69 4.361 10.892 2.122 1.00 0.00 C ATOM 1157 CG LYS A 69 3.518 12.096 2.511 1.00 0.00 C ATOM 1158 CD LYS A 69 3.786 12.524 3.944 1.00 0.00 C ATOM 1159 CE LYS A 69 4.974 13.470 4.032 1.00 0.00 C ATOM 1160 NZ LYS A 69 4.545 14.880 4.244 1.00 0.00 N ATOM 0 H LYS A 69 2.102 10.432 1.179 1.00 0.00 H new ATOM 0 HA LYS A 69 4.632 11.137 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.135 10.067 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.414 11.137 2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.733 12.925 1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.461 11.855 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.900 13.012 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.975 11.644 4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.624 13.161 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.561 13.403 3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.383 15.493 4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.945 15.183 3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.007 14.949 5.131 1.00 0.00 H new ATOM 1174 N HIS A 70 4.046 8.034 0.996 1.00 0.00 N ATOM 1175 CA HIS A 70 4.488 6.655 0.863 1.00 0.00 C ATOM 1176 C HIS A 70 4.494 6.246 -0.605 1.00 0.00 C ATOM 1177 O HIS A 70 5.272 5.386 -1.016 1.00 0.00 O ATOM 1178 CB HIS A 70 3.579 5.723 1.666 1.00 0.00 C ATOM 1179 CG HIS A 70 3.457 6.102 3.110 1.00 0.00 C ATOM 1180 ND1 HIS A 70 2.930 5.261 4.066 1.00 0.00 N ATOM 1181 CD2 HIS A 70 3.798 7.241 3.760 1.00 0.00 C ATOM 1182 CE1 HIS A 70 2.952 5.865 5.243 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.475 7.066 5.084 1.00 0.00 N ATOM 0 H HIS A 70 3.174 8.149 1.512 1.00 0.00 H new ATOM 0 HA HIS A 70 5.501 6.575 1.256 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.587 5.719 1.215 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.964 4.706 1.597 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.241 8.122 3.320 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.602 5.446 6.175 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.617 7.753 5.824 1.00 0.00 H new ATOM 1192 N GLN A 71 3.629 6.880 -1.395 1.00 0.00 N ATOM 1193 CA GLN A 71 3.543 6.593 -2.823 1.00 0.00 C ATOM 1194 C GLN A 71 4.888 6.845 -3.490 1.00 0.00 C ATOM 1195 O GLN A 71 5.442 5.964 -4.151 1.00 0.00 O ATOM 1196 CB GLN A 71 2.464 7.462 -3.475 1.00 0.00 C ATOM 1197 CG GLN A 71 1.074 6.852 -3.419 1.00 0.00 C ATOM 1198 CD GLN A 71 0.150 7.406 -4.485 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -0.500 6.654 -5.212 1.00 0.00 O ATOM 1200 NE2 GLN A 71 0.086 8.728 -4.585 1.00 0.00 N ATOM 0 H GLN A 71 2.979 7.595 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 71 3.275 5.544 -2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.445 8.434 -2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.732 7.639 -4.517 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.151 5.771 -3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.640 7.036 -2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.642 9.314 -3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.519 9.158 -5.285 1.00 0.00 H new ATOM 1209 N VAL A 72 5.417 8.048 -3.298 1.00 0.00 N ATOM 1210 CA VAL A 72 6.708 8.411 -3.867 1.00 0.00 C ATOM 1211 C VAL A 72 7.784 7.459 -3.372 1.00 0.00 C ATOM 1212 O VAL A 72 8.515 6.864 -4.164 1.00 0.00 O ATOM 1213 CB VAL A 72 7.115 9.848 -3.495 1.00 0.00 C ATOM 1214 CG1 VAL A 72 8.254 10.326 -4.383 1.00 0.00 C ATOM 1215 CG2 VAL A 72 5.924 10.791 -3.588 1.00 0.00 C ATOM 0 H VAL A 72 4.972 8.787 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 72 6.610 8.345 -4.951 1.00 0.00 H new ATOM 0 HB VAL A 72 7.463 9.848 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.529 11.344 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.115 9.670 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.935 10.307 -5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.237 11.800 -3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.537 10.789 -4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.143 10.460 -2.903 1.00 0.00 H new ATOM 1225 N GLU A 73 7.867 7.303 -2.050 1.00 0.00 N ATOM 1226 CA GLU A 73 8.847 6.401 -1.458 1.00 0.00 C ATOM 1227 C GLU A 73 8.663 5.003 -2.021 1.00 0.00 C ATOM 1228 O GLU A 73 9.631 4.278 -2.247 1.00 0.00 O ATOM 1229 CB GLU A 73 8.712 6.382 0.067 1.00 0.00 C ATOM 1230 CG GLU A 73 8.759 7.764 0.699 1.00 0.00 C ATOM 1231 CD GLU A 73 9.191 7.725 2.152 1.00 0.00 C ATOM 1232 OE1 GLU A 73 9.849 6.740 2.549 1.00 0.00 O ATOM 1233 OE2 GLU A 73 8.870 8.679 2.892 1.00 0.00 O ATOM 0 H GLU A 73 7.272 7.786 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 73 9.847 6.757 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.771 5.901 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.512 5.772 0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.447 8.394 0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.774 8.226 0.629 1.00 0.00 H new ATOM 1240 N TYR A 74 7.409 4.643 -2.281 1.00 0.00 N ATOM 1241 CA TYR A 74 7.104 3.346 -2.860 1.00 0.00 C ATOM 1242 C TYR A 74 7.779 3.244 -4.220 1.00 0.00 C ATOM 1243 O TYR A 74 8.228 2.174 -4.629 1.00 0.00 O ATOM 1244 CB TYR A 74 5.591 3.160 -3.005 1.00 0.00 C ATOM 1245 CG TYR A 74 5.181 1.732 -3.282 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.445 1.138 -4.510 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.529 0.975 -2.314 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.070 -0.167 -4.767 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.153 -0.331 -2.563 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.426 -0.897 -3.791 1.00 0.00 C ATOM 1251 OH TYR A 74 4.052 -2.198 -4.042 1.00 0.00 O ATOM 0 H TYR A 74 6.595 5.230 -2.100 1.00 0.00 H new ATOM 0 HA TYR A 74 7.477 2.561 -2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.102 3.499 -2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.231 3.796 -3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.952 1.706 -5.276 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.313 1.415 -1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.280 -0.613 -5.728 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.648 -0.906 -1.800 1.00 0.00 H new ATOM 0 HH TYR A 74 4.413 -2.481 -4.908 1.00 0.00 H new ATOM 1261 N ASP A 75 7.859 4.384 -4.905 1.00 0.00 N ATOM 1262 CA ASP A 75 8.498 4.449 -6.210 1.00 0.00 C ATOM 1263 C ASP A 75 10.013 4.346 -6.064 1.00 0.00 C ATOM 1264 O ASP A 75 10.690 3.769 -6.915 1.00 0.00 O ATOM 1265 CB ASP A 75 8.124 5.753 -6.920 1.00 0.00 C ATOM 1266 CG ASP A 75 7.230 5.519 -8.123 1.00 0.00 C ATOM 1267 OD1 ASP A 75 7.505 4.575 -8.892 1.00 0.00 O ATOM 1268 OD2 ASP A 75 6.255 6.281 -8.295 1.00 0.00 O ATOM 0 H ASP A 75 7.487 5.274 -4.574 1.00 0.00 H new ATOM 0 HA ASP A 75 8.147 3.610 -6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.617 6.414 -6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.033 6.263 -7.239 1.00 0.00 H new ATOM 1273 N GLN A 76 10.539 4.911 -4.979 1.00 0.00 N ATOM 1274 CA GLN A 76 11.974 4.879 -4.724 1.00 0.00 C ATOM 1275 C GLN A 76 12.452 3.452 -4.479 1.00 0.00 C ATOM 1276 O GLN A 76 13.589 3.103 -4.800 1.00 0.00 O ATOM 1277 CB GLN A 76 12.320 5.759 -3.521 1.00 0.00 C ATOM 1278 CG GLN A 76 11.917 7.214 -3.695 1.00 0.00 C ATOM 1279 CD GLN A 76 13.110 8.147 -3.767 1.00 0.00 C ATOM 1280 OE1 GLN A 76 13.837 8.168 -4.760 1.00 0.00 O ATOM 1281 NE2 GLN A 76 13.318 8.926 -2.711 1.00 0.00 N ATOM 0 H GLN A 76 9.993 5.395 -4.266 1.00 0.00 H new ATOM 0 HA GLN A 76 12.483 5.266 -5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.828 5.358 -2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.394 5.707 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.325 7.317 -4.605 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.278 7.512 -2.864 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.690 8.876 -1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.106 9.574 -2.703 1.00 0.00 H new ATOM 1290 N LEU A 77 11.577 2.632 -3.906 1.00 0.00 N ATOM 1291 CA LEU A 77 11.911 1.241 -3.616 1.00 0.00 C ATOM 1292 C LEU A 77 11.650 0.351 -4.827 1.00 0.00 C ATOM 1293 O LEU A 77 12.359 -0.630 -5.053 1.00 0.00 O ATOM 1294 CB LEU A 77 11.101 0.740 -2.418 1.00 0.00 C ATOM 1295 CG LEU A 77 11.607 1.210 -1.053 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.597 0.878 0.033 1.00 0.00 C ATOM 1297 CD2 LEU A 77 12.956 0.579 -0.739 1.00 0.00 C ATOM 0 H LEU A 77 10.633 2.905 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 77 12.973 1.193 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.067 1.064 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.097 -0.350 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 77 11.732 2.292 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.974 1.220 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.652 1.376 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.440 -0.200 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.301 0.924 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.856 -0.506 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.679 0.867 -1.503 1.00 0.00 H new ATOM 1398 N ARG B 103 -5.271 7.197 5.868 1.00 0.00 N ATOM 1399 CA ARG B 103 -6.673 6.943 6.181 1.00 0.00 C ATOM 1400 C ARG B 103 -7.206 5.765 5.370 1.00 0.00 C ATOM 1401 O ARG B 103 -7.937 4.922 5.889 1.00 0.00 O ATOM 1402 CB ARG B 103 -7.513 8.190 5.902 1.00 0.00 C ATOM 1403 CG ARG B 103 -8.817 8.233 6.684 1.00 0.00 C ATOM 1404 CD ARG B 103 -9.219 9.659 7.018 1.00 0.00 C ATOM 1405 NE ARG B 103 -8.691 10.089 8.311 1.00 0.00 N ATOM 1406 CZ ARG B 103 -8.598 11.362 8.688 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -8.995 12.333 7.875 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -8.105 11.666 9.881 1.00 0.00 N ATOM 0 HA ARG B 103 -6.744 6.695 7.240 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -6.925 9.075 6.143 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -7.736 8.236 4.836 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -9.607 7.758 6.102 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -8.710 7.659 7.604 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -8.858 10.329 6.238 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -10.306 9.736 7.027 1.00 0.00 H new ATOM 0 HE ARG B 103 -8.375 9.371 8.963 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -9.374 12.105 6.956 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -8.921 13.307 8.169 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -7.797 10.924 10.510 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -8.034 12.642 10.170 1.00 0.00 H new ATOM 1422 N TYR B 104 -6.834 5.715 4.095 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.275 4.641 3.212 1.00 0.00 C ATOM 1424 C TYR B 104 -6.823 3.283 3.741 1.00 0.00 C ATOM 1425 O TYR B 104 -7.552 2.294 3.645 1.00 0.00 O ATOM 1426 CB TYR B 104 -6.730 4.858 1.799 1.00 0.00 C ATOM 1427 CG TYR B 104 -7.220 6.133 1.152 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -8.442 6.173 0.491 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -6.462 7.296 1.198 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -8.893 7.337 -0.105 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -6.906 8.463 0.606 1.00 0.00 C ATOM 1432 CZ TYR B 104 -8.123 8.478 -0.044 1.00 0.00 C ATOM 1433 OH TYR B 104 -8.569 9.637 -0.634 1.00 0.00 O ATOM 0 H TYR B 104 -6.229 6.405 3.650 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.364 4.655 3.180 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -5.641 4.875 1.837 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -7.014 4.011 1.175 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -9.049 5.281 0.442 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -5.509 7.288 1.705 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -9.844 7.351 -0.616 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -6.304 9.358 0.652 1.00 0.00 H new ATOM 0 HH TYR B 104 -7.908 10.348 -0.499 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.617 3.243 4.299 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.069 2.006 4.843 1.00 0.00 C ATOM 1445 C LEU B 105 -5.967 1.451 5.944 1.00 0.00 C ATOM 1446 O LEU B 105 -6.357 0.286 5.913 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.657 2.248 5.385 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.525 1.771 4.473 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -1.352 2.738 4.523 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -2.079 0.371 4.866 1.00 0.00 C ATOM 0 H LEU B 105 -5.002 4.052 4.386 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.020 1.271 4.039 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.532 3.315 5.567 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.563 1.747 6.349 1.00 0.00 H new ATOM 0 HG LEU B 105 -2.899 1.740 3.450 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.558 2.381 3.868 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -1.679 3.724 4.193 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.978 2.803 5.545 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.273 0.047 4.207 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.724 0.378 5.897 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -2.920 -0.317 4.776 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.292 2.296 6.916 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.146 1.892 8.028 1.00 0.00 C ATOM 1464 C ARG B 106 -8.528 1.480 7.530 1.00 0.00 C ATOM 1465 O ARG B 106 -9.160 0.587 8.094 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.275 3.033 9.040 1.00 0.00 C ATOM 1467 CG ARG B 106 -6.267 2.954 10.177 1.00 0.00 C ATOM 1468 CD ARG B 106 -6.883 3.383 11.498 1.00 0.00 C ATOM 1469 NE ARG B 106 -5.867 3.726 12.490 1.00 0.00 N ATOM 1470 CZ ARG B 106 -5.217 4.887 12.515 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -5.472 5.820 11.607 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -4.305 5.117 13.451 1.00 0.00 N ATOM 0 H ARG B 106 -5.977 3.265 6.957 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.684 1.034 8.516 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -7.151 3.984 8.521 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -8.282 3.026 9.457 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -5.893 1.934 10.263 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -5.411 3.589 9.950 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -7.533 4.242 11.333 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -7.510 2.579 11.884 1.00 0.00 H new ATOM 0 HE ARG B 106 -5.643 3.035 13.206 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -6.170 5.650 10.883 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -4.970 6.707 11.633 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -4.102 4.404 14.151 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -3.807 6.007 13.470 1.00 0.00 H new ATOM 1486 N GLU B 107 -8.993 2.133 6.470 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.302 1.830 5.899 1.00 0.00 C ATOM 1488 C GLU B 107 -10.386 0.368 5.477 1.00 0.00 C ATOM 1489 O GLU B 107 -11.248 -0.376 5.946 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.582 2.739 4.700 1.00 0.00 C ATOM 1491 CG GLU B 107 -10.981 4.152 5.086 1.00 0.00 C ATOM 1492 CD GLU B 107 -12.153 4.185 6.049 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -13.249 3.726 5.664 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -11.974 4.668 7.185 1.00 0.00 O ATOM 0 H GLU B 107 -8.484 2.875 5.989 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.056 2.011 6.665 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -9.692 2.781 4.071 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -11.377 2.298 4.099 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -10.128 4.655 5.541 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -11.239 4.711 4.187 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.484 -0.041 4.590 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.455 -1.417 4.108 1.00 0.00 C ATOM 1503 C ALA B 108 -8.936 -2.362 5.187 1.00 0.00 C ATOM 1504 O ALA B 108 -9.514 -3.421 5.431 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.599 -1.519 2.857 1.00 0.00 C ATOM 0 H ALA B 108 -8.764 0.561 4.191 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.474 -1.713 3.861 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -8.586 -2.552 2.508 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.014 -0.878 2.079 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.582 -1.201 3.085 1.00 0.00 H new ATOM 1511 N ILE B 109 -7.842 -1.967 5.829 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.237 -2.772 6.884 1.00 0.00 C ATOM 1513 C ILE B 109 -8.241 -3.066 7.995 1.00 0.00 C ATOM 1514 O ILE B 109 -8.485 -4.225 8.337 1.00 0.00 O ATOM 1515 CB ILE B 109 -5.997 -2.063 7.476 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -4.866 -2.031 6.446 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -5.530 -2.752 8.752 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -3.662 -1.233 6.897 1.00 0.00 C ATOM 0 H ILE B 109 -7.355 -1.092 5.637 1.00 0.00 H new ATOM 0 HA ILE B 109 -6.925 -3.716 6.437 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.277 -1.040 7.727 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.554 -3.053 6.228 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.244 -1.608 5.515 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -4.657 -2.233 9.147 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.331 -2.730 9.491 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.268 -3.787 8.532 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -2.900 -1.253 6.118 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -3.959 -0.202 7.087 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.258 -1.669 7.811 1.00 0.00 H new ATOM 1530 N GLN B 110 -8.826 -2.012 8.557 1.00 0.00 N ATOM 1531 CA GLN B 110 -9.802 -2.167 9.628 1.00 0.00 C ATOM 1532 C GLN B 110 -11.037 -2.905 9.129 1.00 0.00 C ATOM 1533 O GLN B 110 -11.636 -3.694 9.862 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.200 -0.803 10.195 1.00 0.00 C ATOM 1535 CG GLN B 110 -10.843 -0.878 11.569 1.00 0.00 C ATOM 1536 CD GLN B 110 -9.829 -1.076 12.678 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -8.978 -0.218 12.917 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -9.910 -2.212 13.360 1.00 0.00 N ATOM 0 H GLN B 110 -8.641 -1.045 8.289 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.342 -2.756 10.422 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -9.314 -0.170 10.252 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -10.892 -0.320 9.505 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -11.404 0.038 11.754 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -11.560 -1.699 11.586 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -10.631 -2.895 13.129 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -9.251 -2.401 14.115 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.408 -2.658 7.878 1.00 0.00 N ATOM 1548 CA GLU B 111 -12.566 -3.318 7.289 1.00 0.00 C ATOM 1549 C GLU B 111 -12.426 -4.827 7.425 1.00 0.00 C ATOM 1550 O GLU B 111 -13.382 -5.524 7.766 1.00 0.00 O ATOM 1551 CB GLU B 111 -12.717 -2.931 5.816 1.00 0.00 C ATOM 1552 CG GLU B 111 -13.704 -1.798 5.584 1.00 0.00 C ATOM 1553 CD GLU B 111 -15.121 -2.173 5.970 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -15.811 -2.811 5.147 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -15.541 -1.829 7.095 1.00 0.00 O ATOM 0 H GLU B 111 -10.927 -2.009 7.255 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.460 -2.993 7.821 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -11.743 -2.639 5.424 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -13.040 -3.805 5.250 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -13.393 -0.926 6.160 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -13.681 -1.511 4.533 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.219 -5.318 7.181 1.00 0.00 N ATOM 1563 CA TYR B 112 -10.941 -6.740 7.302 1.00 0.00 C ATOM 1564 C TYR B 112 -10.917 -7.132 8.771 1.00 0.00 C ATOM 1565 O TYR B 112 -11.331 -8.231 9.138 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.608 -7.089 6.637 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.426 -8.570 6.384 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -10.340 -9.279 5.617 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.339 -9.255 6.912 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -10.178 -10.632 5.383 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.171 -10.608 6.684 1.00 0.00 C ATOM 1572 CZ TYR B 112 -9.091 -11.291 5.918 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.926 -12.638 5.688 1.00 0.00 O ATOM 0 H TYR B 112 -10.418 -4.753 6.899 1.00 0.00 H new ATOM 0 HA TYR B 112 -11.729 -7.297 6.795 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.534 -6.555 5.689 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -8.793 -6.734 7.268 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -11.192 -8.765 5.196 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -7.614 -8.722 7.510 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -10.899 -11.170 4.785 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -7.323 -11.128 7.104 1.00 0.00 H new ATOM 0 HH TYR B 112 -8.321 -12.768 4.928 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.450 -6.214 9.615 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.400 -6.460 11.047 1.00 0.00 C ATOM 1585 C ASP B 113 -11.805 -6.720 11.573 1.00 0.00 C ATOM 1586 O ASP B 113 -12.000 -7.490 12.513 1.00 0.00 O ATOM 1587 CB ASP B 113 -9.775 -5.270 11.776 1.00 0.00 C ATOM 1588 CG ASP B 113 -9.033 -5.684 13.032 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -8.465 -6.796 13.047 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -9.021 -4.897 14.002 1.00 0.00 O ATOM 0 H ASP B 113 -10.103 -5.298 9.330 1.00 0.00 H new ATOM 0 HA ASP B 113 -9.780 -7.338 11.231 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.087 -4.757 11.104 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -10.557 -4.557 12.038 1.00 0.00 H new ATOM 1595 N ASN B 114 -12.787 -6.074 10.945 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.180 -6.236 11.333 1.00 0.00 C ATOM 1597 C ASN B 114 -14.767 -7.499 10.709 1.00 0.00 C ATOM 1598 O ASN B 114 -15.626 -8.152 11.301 1.00 0.00 O ATOM 1599 CB ASN B 114 -14.996 -5.015 10.908 1.00 0.00 C ATOM 1600 CG ASN B 114 -16.334 -4.938 11.618 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -16.454 -5.320 12.782 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -17.348 -4.445 10.917 1.00 0.00 N ATOM 0 H ASN B 114 -12.639 -5.434 10.165 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.224 -6.330 12.418 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -14.425 -4.110 11.115 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -15.161 -5.048 9.831 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -18.273 -4.371 11.341 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -17.202 -4.140 9.955 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.299 -7.836 9.509 1.00 0.00 N ATOM 1610 CA ILE B 115 -14.780 -9.018 8.811 1.00 0.00 C ATOM 1611 C ILE B 115 -14.063 -10.273 9.299 1.00 0.00 C ATOM 1612 O ILE B 115 -14.642 -11.093 10.012 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.592 -8.880 7.286 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -15.286 -7.613 6.780 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -15.133 -10.106 6.569 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -14.725 -7.099 5.472 1.00 0.00 C ATOM 0 H ILE B 115 -13.589 -7.306 9.004 1.00 0.00 H new ATOM 0 HA ILE B 115 -15.844 -9.110 9.029 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.526 -8.802 7.073 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -16.350 -7.816 6.655 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -15.197 -6.833 7.536 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.992 -9.991 5.494 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.600 -10.993 6.912 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -16.196 -10.215 6.786 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -15.264 -6.200 5.173 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -13.668 -6.864 5.597 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -14.839 -7.862 4.702 1.00 0.00 H new