USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 888 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 34 MET CE :methyl -131:sc= -3.13! (180deg=-4.28!) USER MOD Set 1.2: A 58 ASN : amide:sc= -5.97! C(o=-9.1!,f=-13!) USER MOD Set 2.1: A 1 MET N :NH3+ -167:sc= 1.14 (180deg=0) USER MOD Set 2.2: A 13 GLN : amide:sc= -6.7! C(o=-5.1!,f=-6.4!) USER MOD Set 2.3: A 16 GLN : amide:sc= 0.434 K(o=-5.1,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.64) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -2.17! X(o=-2.2!,f=-1.9) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= -3.64! (180deg=-3.85!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 151:sc= -3.32! (180deg=-5.43!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -39:sc= -1.47 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -86:sc= 1.46 USER MOD Single : A 81 SER OG : rot 93:sc= 0.0437 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -163:sc=-0.00189 (180deg=-0.57) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -1.67 K(o=-1.7,f=-13!) USER MOD Single : A 102 SER OG : rot 180:sc= -1.3 USER MOD Single : A 107 MET CE :methyl -120:sc= -7.98! (180deg=-12.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.216 -9.550 -1.497 1.00 0.00 N ATOM 2 CA MET A 1 -9.339 -8.932 -2.181 1.00 0.00 C ATOM 3 C MET A 1 -10.562 -9.851 -2.169 1.00 0.00 C ATOM 4 O MET A 1 -11.576 -9.533 -1.550 1.00 0.00 O ATOM 5 CB MET A 1 -8.948 -8.621 -3.628 1.00 0.00 C ATOM 6 CG MET A 1 -9.878 -7.567 -4.233 1.00 0.00 C ATOM 7 SD MET A 1 -9.803 -7.640 -6.015 1.00 0.00 S ATOM 8 CE MET A 1 -11.211 -6.621 -6.425 1.00 0.00 C ATOM 0 H1 MET A 1 -7.479 -8.836 -1.324 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.536 -9.944 -0.589 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.827 -10.313 -2.087 1.00 0.00 H new ATOM 0 HA MET A 1 -9.595 -8.010 -1.658 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.918 -8.265 -3.662 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.990 -9.533 -4.224 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.901 -7.736 -3.896 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.589 -6.574 -3.889 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.312 -6.559 -7.509 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.114 -7.060 -6.001 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.068 -5.621 -6.016 1.00 0.00 H new ATOM 18 N ALA A 2 -10.426 -10.973 -2.860 1.00 0.00 N ATOM 19 CA ALA A 2 -11.506 -11.940 -2.936 1.00 0.00 C ATOM 20 C ALA A 2 -11.101 -13.080 -3.874 1.00 0.00 C ATOM 21 O ALA A 2 -11.751 -13.310 -4.894 1.00 0.00 O ATOM 22 CB ALA A 2 -12.789 -11.239 -3.390 1.00 0.00 C ATOM 0 H ALA A 2 -9.583 -11.234 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.701 -12.374 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.600 -11.965 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.050 -10.459 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.632 -10.793 -4.372 1.00 0.00 H new ATOM 28 N LYS A 3 -10.029 -13.760 -3.498 1.00 0.00 N ATOM 29 CA LYS A 3 -9.529 -14.869 -4.294 1.00 0.00 C ATOM 30 C LYS A 3 -8.906 -15.915 -3.367 1.00 0.00 C ATOM 31 O LYS A 3 -7.740 -15.800 -2.990 1.00 0.00 O ATOM 32 CB LYS A 3 -8.577 -14.364 -5.379 1.00 0.00 C ATOM 33 CG LYS A 3 -9.187 -14.543 -6.770 1.00 0.00 C ATOM 34 CD LYS A 3 -8.142 -14.308 -7.863 1.00 0.00 C ATOM 35 CE LYS A 3 -8.096 -15.484 -8.841 1.00 0.00 C ATOM 36 NZ LYS A 3 -7.810 -15.006 -10.212 1.00 0.00 N ATOM 0 H LYS A 3 -9.492 -13.565 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.347 -15.358 -4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.352 -13.311 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.633 -14.905 -5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.597 -15.549 -6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.016 -13.847 -6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.376 -13.390 -8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.161 -14.170 -7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.330 -16.194 -8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.048 -16.015 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.782 -15.816 -10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.556 -14.346 -10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.891 -14.519 -10.225 1.00 0.00 H new ATOM 49 N GLU A 4 -9.708 -16.912 -3.027 1.00 0.00 N ATOM 50 CA GLU A 4 -9.250 -17.977 -2.152 1.00 0.00 C ATOM 51 C GLU A 4 -9.001 -19.256 -2.956 1.00 0.00 C ATOM 52 O GLU A 4 -9.886 -20.102 -3.072 1.00 0.00 O ATOM 53 CB GLU A 4 -10.248 -18.227 -1.020 1.00 0.00 C ATOM 54 CG GLU A 4 -9.661 -19.170 0.031 1.00 0.00 C ATOM 55 CD GLU A 4 -10.751 -19.682 0.977 1.00 0.00 C ATOM 56 OE1 GLU A 4 -11.290 -18.906 1.779 1.00 0.00 O ATOM 57 OE2 GLU A 4 -11.031 -20.935 0.856 1.00 0.00 O ATOM 0 H GLU A 4 -10.674 -17.005 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.309 -17.666 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.518 -17.280 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.164 -18.655 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.176 -20.013 -0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.893 -18.650 0.603 1.00 0.00 H new ATOM 65 N PHE A 5 -7.794 -19.354 -3.492 1.00 0.00 N ATOM 66 CA PHE A 5 -7.419 -20.514 -4.282 1.00 0.00 C ATOM 67 C PHE A 5 -5.996 -20.969 -3.948 1.00 0.00 C ATOM 68 O PHE A 5 -5.092 -20.145 -3.814 1.00 0.00 O ATOM 69 CB PHE A 5 -7.474 -20.092 -5.752 1.00 0.00 C ATOM 70 CG PHE A 5 -7.237 -21.238 -6.737 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.510 -22.518 -6.371 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.753 -20.975 -7.981 1.00 0.00 C ATOM 73 CE1 PHE A 5 -7.289 -23.582 -7.286 1.00 0.00 C ATOM 74 CE2 PHE A 5 -6.533 -22.038 -8.897 1.00 0.00 C ATOM 75 CZ PHE A 5 -6.805 -23.319 -8.530 1.00 0.00 C ATOM 0 H PHE A 5 -7.063 -18.649 -3.395 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.096 -21.342 -4.070 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.448 -19.647 -5.956 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.727 -19.317 -5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.895 -22.726 -5.384 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.536 -19.958 -8.272 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.505 -24.599 -6.994 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.150 -21.829 -9.885 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.637 -24.127 -9.226 1.00 0.00 H new ATOM 85 N GLY A 6 -5.841 -22.279 -3.823 1.00 0.00 N ATOM 86 CA GLY A 6 -4.544 -22.852 -3.508 1.00 0.00 C ATOM 87 C GLY A 6 -3.428 -22.136 -4.269 1.00 0.00 C ATOM 88 O GLY A 6 -2.278 -22.128 -3.832 1.00 0.00 O ATOM 0 H GLY A 6 -6.592 -22.960 -3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.362 -22.780 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.540 -23.912 -3.762 1.00 0.00 H new ATOM 92 N ARG A 7 -3.804 -21.552 -5.396 1.00 0.00 N ATOM 93 CA ARG A 7 -2.850 -20.835 -6.225 1.00 0.00 C ATOM 94 C ARG A 7 -2.177 -19.723 -5.416 1.00 0.00 C ATOM 95 O ARG A 7 -2.498 -19.520 -4.247 1.00 0.00 O ATOM 96 CB ARG A 7 -3.531 -20.224 -7.450 1.00 0.00 C ATOM 97 CG ARG A 7 -3.078 -20.920 -8.735 1.00 0.00 C ATOM 98 CD ARG A 7 -3.730 -20.283 -9.963 1.00 0.00 C ATOM 99 NE ARG A 7 -2.689 -19.748 -10.868 1.00 0.00 N ATOM 100 CZ ARG A 7 -2.929 -19.301 -12.119 1.00 0.00 C ATOM 101 NH1 ARG A 7 -4.180 -19.322 -12.626 1.00 0.00 N ATOM 102 NH2 ARG A 7 -1.923 -18.843 -12.841 1.00 0.00 N ATOM 0 H ARG A 7 -4.758 -21.560 -5.756 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.100 -21.551 -6.562 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.613 -20.309 -7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.298 -19.161 -7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.993 -20.860 -8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.336 -21.978 -8.690 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.335 -21.022 -10.488 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.402 -19.482 -9.654 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.729 -19.715 -10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.953 -19.677 -12.063 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.353 -18.982 -13.572 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.980 -18.830 -12.452 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.089 -18.502 -13.788 1.00 0.00 H new ATOM 115 N PRO A 8 -1.232 -19.014 -6.090 1.00 0.00 N ATOM 116 CA PRO A 8 -0.512 -17.928 -5.448 1.00 0.00 C ATOM 117 C PRO A 8 -1.396 -16.688 -5.314 1.00 0.00 C ATOM 118 O PRO A 8 -0.934 -15.637 -4.870 1.00 0.00 O ATOM 119 CB PRO A 8 0.710 -17.695 -6.323 1.00 0.00 C ATOM 120 CG PRO A 8 0.392 -18.335 -7.663 1.00 0.00 C ATOM 121 CD PRO A 8 -0.826 -19.226 -7.477 1.00 0.00 C ATOM 0 HA PRO A 8 -0.215 -18.166 -4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.911 -16.630 -6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.599 -18.141 -5.878 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.194 -17.570 -8.414 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.241 -18.919 -8.018 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.624 -18.956 -8.169 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.583 -20.272 -7.663 1.00 0.00 H new ATOM 129 N GLN A 9 -2.652 -16.850 -5.704 1.00 0.00 N ATOM 130 CA GLN A 9 -3.605 -15.756 -5.632 1.00 0.00 C ATOM 131 C GLN A 9 -4.080 -15.559 -4.191 1.00 0.00 C ATOM 132 O GLN A 9 -4.195 -14.428 -3.720 1.00 0.00 O ATOM 133 CB GLN A 9 -4.789 -15.998 -6.571 1.00 0.00 C ATOM 134 CG GLN A 9 -4.871 -14.906 -7.641 1.00 0.00 C ATOM 135 CD GLN A 9 -3.530 -14.739 -8.359 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.821 -15.692 -8.632 1.00 0.00 O ATOM 137 NE2 GLN A 9 -3.224 -13.477 -8.645 1.00 0.00 N ATOM 0 H GLN A 9 -3.032 -17.723 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.106 -14.843 -5.957 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.687 -16.973 -7.048 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.715 -16.020 -5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.646 -15.159 -8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.161 -13.962 -7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.864 -12.726 -8.387 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.349 -13.260 -9.122 1.00 0.00 H new ATOM 146 N ARG A 10 -4.343 -16.676 -3.531 1.00 0.00 N ATOM 147 CA ARG A 10 -4.804 -16.641 -2.153 1.00 0.00 C ATOM 148 C ARG A 10 -3.818 -15.858 -1.284 1.00 0.00 C ATOM 149 O ARG A 10 -4.187 -14.863 -0.663 1.00 0.00 O ATOM 150 CB ARG A 10 -4.959 -18.054 -1.588 1.00 0.00 C ATOM 151 CG ARG A 10 -5.644 -18.026 -0.219 1.00 0.00 C ATOM 152 CD ARG A 10 -4.638 -18.292 0.902 1.00 0.00 C ATOM 153 NE ARG A 10 -4.724 -19.704 1.337 1.00 0.00 N ATOM 154 CZ ARG A 10 -4.145 -20.189 2.455 1.00 0.00 C ATOM 155 NH1 ARG A 10 -3.431 -19.378 3.264 1.00 0.00 N ATOM 156 NH2 ARG A 10 -4.287 -21.468 2.746 1.00 0.00 N ATOM 0 H ARG A 10 -4.246 -17.612 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.776 -16.148 -2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.543 -18.663 -2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.979 -18.523 -1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.118 -17.056 -0.065 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.435 -18.776 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.628 -18.071 0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.838 -17.631 1.745 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.255 -20.352 0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.326 -18.390 3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.997 -19.753 4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.828 -22.074 2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.856 -21.851 3.587 1.00 0.00 H new ATOM 169 N VAL A 11 -2.583 -16.335 -1.269 1.00 0.00 N ATOM 170 CA VAL A 11 -1.541 -15.692 -0.487 1.00 0.00 C ATOM 171 C VAL A 11 -1.475 -14.208 -0.855 1.00 0.00 C ATOM 172 O VAL A 11 -1.310 -13.355 0.015 1.00 0.00 O ATOM 173 CB VAL A 11 -0.209 -16.417 -0.690 1.00 0.00 C ATOM 174 CG1 VAL A 11 0.644 -15.711 -1.745 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.551 -16.549 0.631 1.00 0.00 C ATOM 0 H VAL A 11 -2.280 -17.160 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.770 -15.754 0.577 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.427 -17.422 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.585 -16.247 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.108 -15.693 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.848 -14.689 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.494 -17.068 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.752 -15.557 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.050 -17.116 1.342 1.00 0.00 H new ATOM 185 N ALA A 12 -1.608 -13.946 -2.148 1.00 0.00 N ATOM 186 CA ALA A 12 -1.567 -12.579 -2.641 1.00 0.00 C ATOM 187 C ALA A 12 -2.717 -11.782 -2.024 1.00 0.00 C ATOM 188 O ALA A 12 -2.549 -10.618 -1.668 1.00 0.00 O ATOM 189 CB ALA A 12 -1.618 -12.589 -4.171 1.00 0.00 C ATOM 0 H ALA A 12 -1.744 -14.656 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.637 -12.092 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.587 -11.565 -4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.763 -13.142 -4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.540 -13.067 -4.501 1.00 0.00 H new ATOM 195 N GLN A 13 -3.860 -12.443 -1.915 1.00 0.00 N ATOM 196 CA GLN A 13 -5.039 -11.810 -1.347 1.00 0.00 C ATOM 197 C GLN A 13 -4.834 -11.556 0.149 1.00 0.00 C ATOM 198 O GLN A 13 -4.799 -10.407 0.587 1.00 0.00 O ATOM 199 CB GLN A 13 -6.289 -12.657 -1.592 1.00 0.00 C ATOM 200 CG GLN A 13 -6.619 -12.725 -3.084 1.00 0.00 C ATOM 201 CD GLN A 13 -6.170 -11.452 -3.804 1.00 0.00 C ATOM 202 OE1 GLN A 13 -6.947 -10.548 -4.066 1.00 0.00 O ATOM 203 NE2 GLN A 13 -4.875 -11.431 -4.109 1.00 0.00 N ATOM 0 H GLN A 13 -3.995 -13.410 -2.210 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.188 -10.851 -1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.133 -13.664 -1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.133 -12.233 -1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.129 -13.591 -3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.692 -12.863 -3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.280 -12.221 -3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.478 -10.625 -4.591 1.00 0.00 H new ATOM 212 N GLU A 14 -4.705 -12.646 0.890 1.00 0.00 N ATOM 213 CA GLU A 14 -4.505 -12.555 2.327 1.00 0.00 C ATOM 214 C GLU A 14 -3.549 -11.409 2.658 1.00 0.00 C ATOM 215 O GLU A 14 -3.789 -10.645 3.592 1.00 0.00 O ATOM 216 CB GLU A 14 -3.991 -13.879 2.893 1.00 0.00 C ATOM 217 CG GLU A 14 -4.942 -14.425 3.961 1.00 0.00 C ATOM 218 CD GLU A 14 -4.305 -15.591 4.718 1.00 0.00 C ATOM 219 OE1 GLU A 14 -3.197 -15.450 5.258 1.00 0.00 O ATOM 220 OE2 GLU A 14 -5.003 -16.678 4.735 1.00 0.00 O ATOM 0 H GLU A 14 -4.735 -13.597 0.523 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.467 -12.346 2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.886 -14.606 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.000 -13.734 3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.202 -13.631 4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.870 -14.754 3.493 1.00 0.00 H new ATOM 228 N MET A 15 -2.484 -11.324 1.874 1.00 0.00 N ATOM 229 CA MET A 15 -1.490 -10.283 2.073 1.00 0.00 C ATOM 230 C MET A 15 -2.016 -8.925 1.607 1.00 0.00 C ATOM 231 O MET A 15 -1.735 -7.900 2.224 1.00 0.00 O ATOM 232 CB MET A 15 -0.220 -10.633 1.293 1.00 0.00 C ATOM 233 CG MET A 15 0.940 -10.940 2.243 1.00 0.00 C ATOM 234 SD MET A 15 2.418 -10.108 1.689 1.00 0.00 S ATOM 235 CE MET A 15 3.637 -10.942 2.688 1.00 0.00 C ATOM 0 H MET A 15 -2.288 -11.959 1.100 1.00 0.00 H new ATOM 0 HA MET A 15 -1.268 -10.219 3.138 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.408 -11.495 0.653 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.050 -9.803 0.640 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.688 -10.618 3.254 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.112 -12.016 2.285 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.626 -10.541 2.466 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.411 -10.787 3.743 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.621 -12.009 2.467 1.00 0.00 H new ATOM 245 N GLN A 16 -2.774 -8.961 0.520 1.00 0.00 N ATOM 246 CA GLN A 16 -3.343 -7.745 -0.037 1.00 0.00 C ATOM 247 C GLN A 16 -4.316 -7.112 0.958 1.00 0.00 C ATOM 248 O GLN A 16 -4.406 -5.888 1.049 1.00 0.00 O ATOM 249 CB GLN A 16 -4.031 -8.026 -1.375 1.00 0.00 C ATOM 250 CG GLN A 16 -4.328 -6.723 -2.121 1.00 0.00 C ATOM 251 CD GLN A 16 -5.831 -6.560 -2.362 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.657 -7.242 -1.779 1.00 0.00 O ATOM 253 NE2 GLN A 16 -6.136 -5.621 -3.253 1.00 0.00 N ATOM 0 H GLN A 16 -3.007 -9.813 0.010 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.534 -7.039 -0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.395 -8.664 -1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.959 -8.571 -1.204 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.954 -5.876 -1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.800 -6.717 -3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.394 -5.086 -3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.112 -5.436 -3.485 1.00 0.00 H new ATOM 262 N LYS A 17 -5.020 -7.972 1.679 1.00 0.00 N ATOM 263 CA LYS A 17 -5.983 -7.511 2.665 1.00 0.00 C ATOM 264 C LYS A 17 -5.238 -7.022 3.909 1.00 0.00 C ATOM 265 O LYS A 17 -5.628 -6.027 4.520 1.00 0.00 O ATOM 266 CB LYS A 17 -7.016 -8.601 2.955 1.00 0.00 C ATOM 267 CG LYS A 17 -6.370 -9.796 3.657 1.00 0.00 C ATOM 268 CD LYS A 17 -7.416 -10.623 4.408 1.00 0.00 C ATOM 269 CE LYS A 17 -7.314 -10.396 5.917 1.00 0.00 C ATOM 270 NZ LYS A 17 -7.836 -11.567 6.654 1.00 0.00 N ATOM 0 H LYS A 17 -4.943 -8.986 1.600 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.549 -6.663 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.812 -8.195 3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.476 -8.928 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.864 -10.423 2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.610 -9.445 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.414 -10.354 4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.277 -11.681 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.275 -10.218 6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.875 -9.504 6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.759 -11.396 7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.834 -11.719 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.283 -12.411 6.402 1.00 0.00 H new ATOM 283 N GLU A 18 -4.182 -7.744 4.249 1.00 0.00 N ATOM 284 CA GLU A 18 -3.379 -7.397 5.410 1.00 0.00 C ATOM 285 C GLU A 18 -2.622 -6.091 5.160 1.00 0.00 C ATOM 286 O GLU A 18 -2.445 -5.286 6.073 1.00 0.00 O ATOM 287 CB GLU A 18 -2.416 -8.530 5.769 1.00 0.00 C ATOM 288 CG GLU A 18 -1.801 -8.307 7.153 1.00 0.00 C ATOM 289 CD GLU A 18 -2.805 -8.638 8.259 1.00 0.00 C ATOM 290 OE1 GLU A 18 -3.741 -9.419 8.032 1.00 0.00 O ATOM 291 OE2 GLU A 18 -2.587 -8.051 9.386 1.00 0.00 O ATOM 0 H GLU A 18 -3.863 -8.569 3.741 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.047 -7.250 6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.946 -9.482 5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.625 -8.591 5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.913 -8.929 7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.478 -7.270 7.249 1.00 0.00 H new ATOM 299 N ILE A 19 -2.192 -5.922 3.917 1.00 0.00 N ATOM 300 CA ILE A 19 -1.456 -4.729 3.535 1.00 0.00 C ATOM 301 C ILE A 19 -2.442 -3.584 3.296 1.00 0.00 C ATOM 302 O ILE A 19 -2.176 -2.442 3.673 1.00 0.00 O ATOM 303 CB ILE A 19 -0.548 -5.018 2.339 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.355 -5.078 1.040 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.267 -6.293 2.565 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.491 -5.578 -0.120 1.00 0.00 C ATOM 0 H ILE A 19 -2.340 -6.592 3.162 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.791 -4.417 4.341 1.00 0.00 H new ATOM 0 HB ILE A 19 0.160 -4.195 2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.212 -5.738 1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.748 -4.089 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.904 -6.476 1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.887 -6.176 3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.409 -7.137 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.089 -5.611 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.352 -4.902 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.120 -6.577 0.107 1.00 0.00 H new ATOM 318 N ALA A 20 -3.559 -3.926 2.672 1.00 0.00 N ATOM 319 CA ALA A 20 -4.585 -2.940 2.379 1.00 0.00 C ATOM 320 C ALA A 20 -5.123 -2.364 3.690 1.00 0.00 C ATOM 321 O ALA A 20 -5.488 -1.191 3.753 1.00 0.00 O ATOM 322 CB ALA A 20 -5.684 -3.585 1.531 1.00 0.00 C ATOM 0 H ALA A 20 -3.776 -4.873 2.361 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.170 -2.113 1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.454 -2.846 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.256 -3.952 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.126 -4.417 2.079 1.00 0.00 H new ATOM 328 N LEU A 21 -5.155 -3.215 4.705 1.00 0.00 N ATOM 329 CA LEU A 21 -5.642 -2.806 6.011 1.00 0.00 C ATOM 330 C LEU A 21 -4.579 -1.949 6.701 1.00 0.00 C ATOM 331 O LEU A 21 -4.842 -0.807 7.073 1.00 0.00 O ATOM 332 CB LEU A 21 -6.075 -4.023 6.828 1.00 0.00 C ATOM 333 CG LEU A 21 -6.392 -3.765 8.302 1.00 0.00 C ATOM 334 CD1 LEU A 21 -7.872 -4.014 8.597 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.478 -4.590 9.212 1.00 0.00 C ATOM 0 H LEU A 21 -4.851 -4.187 4.649 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.534 -2.188 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.958 -4.456 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.285 -4.772 6.773 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.195 -2.714 8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.070 -3.823 9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.482 -3.347 7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.121 -5.049 8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.724 -4.388 10.254 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.619 -5.651 9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.439 -4.319 9.026 1.00 0.00 H new ATOM 347 N ILE A 22 -3.399 -2.534 6.851 1.00 0.00 N ATOM 348 CA ILE A 22 -2.294 -1.839 7.490 1.00 0.00 C ATOM 349 C ILE A 22 -1.992 -0.552 6.719 1.00 0.00 C ATOM 350 O ILE A 22 -1.445 0.397 7.278 1.00 0.00 O ATOM 351 CB ILE A 22 -1.087 -2.768 7.631 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.363 -3.873 8.653 1.00 0.00 C ATOM 353 CG2 ILE A 22 0.177 -1.976 7.972 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.300 -4.971 8.573 1.00 0.00 C ATOM 0 H ILE A 22 -3.184 -3.482 6.541 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.564 -1.547 8.505 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.914 -3.253 6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.378 -3.449 9.657 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.349 -4.302 8.473 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.020 -2.660 8.067 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.381 -1.256 7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.032 -1.447 8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.519 -5.744 9.309 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.304 -5.409 7.575 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.681 -4.543 8.778 1.00 0.00 H new ATOM 366 N LEU A 23 -2.365 -0.562 5.447 1.00 0.00 N ATOM 367 CA LEU A 23 -2.141 0.593 4.593 1.00 0.00 C ATOM 368 C LEU A 23 -3.326 1.552 4.720 1.00 0.00 C ATOM 369 O LEU A 23 -3.222 2.723 4.356 1.00 0.00 O ATOM 370 CB LEU A 23 -1.858 0.150 3.156 1.00 0.00 C ATOM 371 CG LEU A 23 -1.387 1.245 2.197 1.00 0.00 C ATOM 372 CD1 LEU A 23 -0.061 0.862 1.535 1.00 0.00 C ATOM 373 CD2 LEU A 23 -2.468 1.575 1.166 1.00 0.00 C ATOM 0 H LEU A 23 -2.820 -1.351 4.988 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.253 1.138 4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.101 -0.634 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.765 -0.296 2.749 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.208 2.151 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.251 1.658 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.700 0.718 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.189 -0.063 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.107 2.356 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.703 0.682 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.365 1.922 1.678 1.00 0.00 H new ATOM 385 N GLN A 24 -4.424 1.020 5.235 1.00 0.00 N ATOM 386 CA GLN A 24 -5.628 1.816 5.415 1.00 0.00 C ATOM 387 C GLN A 24 -5.855 2.105 6.900 1.00 0.00 C ATOM 388 O GLN A 24 -6.769 2.849 7.256 1.00 0.00 O ATOM 389 CB GLN A 24 -6.841 1.118 4.798 1.00 0.00 C ATOM 390 CG GLN A 24 -6.934 1.403 3.298 1.00 0.00 C ATOM 391 CD GLN A 24 -8.393 1.434 2.836 1.00 0.00 C ATOM 392 OE1 GLN A 24 -9.256 2.027 3.459 1.00 0.00 O ATOM 393 NE2 GLN A 24 -8.617 0.762 1.709 1.00 0.00 N ATOM 0 H GLN A 24 -4.506 0.048 5.534 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.495 2.766 4.898 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.770 0.043 4.964 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.751 1.457 5.293 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.458 2.358 3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.389 0.638 2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.848 0.287 1.237 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.558 0.722 1.317 1.00 0.00 H new ATOM 402 N ARG A 25 -5.013 1.503 7.725 1.00 0.00 N ATOM 403 CA ARG A 25 -5.112 1.687 9.161 1.00 0.00 C ATOM 404 C ARG A 25 -3.865 2.397 9.693 1.00 0.00 C ATOM 405 O ARG A 25 -3.965 3.456 10.312 1.00 0.00 O ATOM 406 CB ARG A 25 -5.271 0.344 9.879 1.00 0.00 C ATOM 407 CG ARG A 25 -6.146 0.489 11.126 1.00 0.00 C ATOM 408 CD ARG A 25 -5.288 0.664 12.380 1.00 0.00 C ATOM 409 NE ARG A 25 -6.140 1.053 13.527 1.00 0.00 N ATOM 410 CZ ARG A 25 -5.705 1.129 14.801 1.00 0.00 C ATOM 411 NH1 ARG A 25 -4.422 0.841 15.106 1.00 0.00 N ATOM 412 NH2 ARG A 25 -6.553 1.488 15.747 1.00 0.00 N ATOM 0 H ARG A 25 -4.258 0.886 7.425 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.993 2.298 9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.716 -0.384 9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.291 -0.040 10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.809 1.347 11.012 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.780 -0.391 11.234 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.764 -0.265 12.604 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.527 1.425 12.207 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.118 1.278 13.342 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.773 0.563 14.370 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.102 0.901 16.073 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.521 1.703 15.509 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.240 1.550 16.716 1.00 0.00 H new ATOM 425 N GLU A 26 -2.719 1.786 9.433 1.00 0.00 N ATOM 426 CA GLU A 26 -1.454 2.347 9.877 1.00 0.00 C ATOM 427 C GLU A 26 -1.162 3.653 9.135 1.00 0.00 C ATOM 428 O GLU A 26 -0.361 4.466 9.594 1.00 0.00 O ATOM 429 CB GLU A 26 -0.314 1.344 9.689 1.00 0.00 C ATOM 430 CG GLU A 26 0.538 1.705 8.472 1.00 0.00 C ATOM 431 CD GLU A 26 1.573 2.778 8.825 1.00 0.00 C ATOM 432 OE1 GLU A 26 1.549 3.875 8.249 1.00 0.00 O ATOM 433 OE2 GLU A 26 2.422 2.437 9.734 1.00 0.00 O ATOM 0 H GLU A 26 -2.640 0.908 8.920 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.530 2.566 10.942 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.310 1.326 10.582 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.724 0.341 9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.045 0.814 8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.104 2.065 7.668 1.00 0.00 H new ATOM 441 N ILE A 27 -1.831 3.815 8.004 1.00 0.00 N ATOM 442 CA ILE A 27 -1.654 5.009 7.194 1.00 0.00 C ATOM 443 C ILE A 27 -2.592 6.106 7.700 1.00 0.00 C ATOM 444 O ILE A 27 -3.365 5.886 8.631 1.00 0.00 O ATOM 445 CB ILE A 27 -1.833 4.683 5.711 1.00 0.00 C ATOM 446 CG1 ILE A 27 -0.684 5.255 4.879 1.00 0.00 C ATOM 447 CG2 ILE A 27 -3.197 5.158 5.206 1.00 0.00 C ATOM 448 CD1 ILE A 27 -1.125 5.515 3.437 1.00 0.00 C ATOM 0 H ILE A 27 -2.497 3.140 7.629 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.637 5.388 7.292 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.805 3.600 5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.333 6.184 5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.156 4.560 4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.299 4.914 4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.987 4.662 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.279 6.237 5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.289 5.921 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.453 4.580 2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.948 6.229 3.432 1.00 0.00 H new ATOM 460 N LYS A 28 -2.495 7.265 7.064 1.00 0.00 N ATOM 461 CA LYS A 28 -3.324 8.396 7.439 1.00 0.00 C ATOM 462 C LYS A 28 -4.540 8.461 6.511 1.00 0.00 C ATOM 463 O LYS A 28 -4.609 9.317 5.630 1.00 0.00 O ATOM 464 CB LYS A 28 -2.498 9.684 7.458 1.00 0.00 C ATOM 465 CG LYS A 28 -1.728 9.862 6.149 1.00 0.00 C ATOM 466 CD LYS A 28 -0.237 9.587 6.347 1.00 0.00 C ATOM 467 CE LYS A 28 0.305 8.674 5.245 1.00 0.00 C ATOM 468 NZ LYS A 28 1.311 7.739 5.794 1.00 0.00 N ATOM 0 H LYS A 28 -1.854 7.444 6.291 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.701 8.271 8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.155 10.539 7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.799 9.660 8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.128 9.187 5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.868 10.877 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.313 10.528 6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.075 9.123 7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.514 8.113 4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.753 9.276 4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.606 7.072 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.138 8.275 6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.897 7.212 6.589 1.00 0.00 H new ATOM 481 N ASP A 29 -5.468 7.544 6.742 1.00 0.00 N ATOM 482 CA ASP A 29 -6.678 7.485 5.938 1.00 0.00 C ATOM 483 C ASP A 29 -7.702 8.477 6.493 1.00 0.00 C ATOM 484 O ASP A 29 -8.228 9.310 5.757 1.00 0.00 O ATOM 485 CB ASP A 29 -7.300 6.088 5.980 1.00 0.00 C ATOM 486 CG ASP A 29 -8.781 6.051 6.365 1.00 0.00 C ATOM 487 OD1 ASP A 29 -9.598 6.813 5.828 1.00 0.00 O ATOM 488 OD2 ASP A 29 -9.088 5.182 7.267 1.00 0.00 O ATOM 0 H ASP A 29 -5.407 6.836 7.474 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.412 7.729 4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.183 5.625 5.000 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.740 5.479 6.689 1.00 0.00 H new ATOM 494 N PRO A 30 -7.963 8.350 7.822 1.00 0.00 N ATOM 495 CA PRO A 30 -8.915 9.224 8.485 1.00 0.00 C ATOM 496 C PRO A 30 -8.323 10.619 8.699 1.00 0.00 C ATOM 497 O PRO A 30 -9.058 11.587 8.885 1.00 0.00 O ATOM 498 CB PRO A 30 -9.258 8.518 9.787 1.00 0.00 C ATOM 499 CG PRO A 30 -8.143 7.511 10.021 1.00 0.00 C ATOM 500 CD PRO A 30 -7.360 7.374 8.725 1.00 0.00 C ATOM 0 HA PRO A 30 -9.813 9.394 7.891 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.322 9.228 10.611 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.226 8.021 9.719 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.490 7.844 10.828 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.555 6.548 10.322 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.301 7.579 8.879 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.434 6.364 8.323 1.00 0.00 H new ATOM 508 N ARG A 31 -7.000 10.676 8.664 1.00 0.00 N ATOM 509 CA ARG A 31 -6.300 11.935 8.851 1.00 0.00 C ATOM 510 C ARG A 31 -6.463 12.823 7.615 1.00 0.00 C ATOM 511 O ARG A 31 -6.458 14.048 7.720 1.00 0.00 O ATOM 512 CB ARG A 31 -4.811 11.705 9.113 1.00 0.00 C ATOM 513 CG ARG A 31 -4.423 12.163 10.519 1.00 0.00 C ATOM 514 CD ARG A 31 -3.055 11.605 10.921 1.00 0.00 C ATOM 515 NE ARG A 31 -2.744 11.986 12.315 1.00 0.00 N ATOM 516 CZ ARG A 31 -1.513 11.902 12.866 1.00 0.00 C ATOM 517 NH1 ARG A 31 -0.468 11.449 12.142 1.00 0.00 N ATOM 518 NH2 ARG A 31 -1.348 12.271 14.122 1.00 0.00 N ATOM 0 H ARG A 31 -6.394 9.870 8.509 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.737 12.430 9.718 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.577 10.647 8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.221 12.247 8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.401 13.252 10.557 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.178 11.834 11.233 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.053 10.519 10.823 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.286 11.987 10.250 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.506 12.334 12.897 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.604 11.167 11.171 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.458 11.389 12.566 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.143 12.613 14.662 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.425 12.214 14.553 1.00 0.00 H new ATOM 531 N LEU A 32 -6.604 12.169 6.471 1.00 0.00 N ATOM 532 CA LEU A 32 -6.768 12.883 5.217 1.00 0.00 C ATOM 533 C LEU A 32 -8.204 12.703 4.717 1.00 0.00 C ATOM 534 O LEU A 32 -8.463 12.794 3.518 1.00 0.00 O ATOM 535 CB LEU A 32 -5.706 12.444 4.207 1.00 0.00 C ATOM 536 CG LEU A 32 -4.355 13.154 4.304 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.510 12.574 5.440 1.00 0.00 C ATOM 538 CD2 LEU A 32 -3.618 13.115 2.963 1.00 0.00 C ATOM 0 H LEU A 32 -6.608 11.152 6.387 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.612 13.952 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.541 11.373 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.103 12.596 3.203 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.536 14.202 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.555 13.097 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.038 12.698 6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.335 11.514 5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.660 13.627 3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.448 12.079 2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.220 13.612 2.202 1.00 0.00 H new ATOM 550 N GLY A 33 -9.097 12.451 5.661 1.00 0.00 N ATOM 551 CA GLY A 33 -10.500 12.257 5.331 1.00 0.00 C ATOM 552 C GLY A 33 -10.654 11.504 4.008 1.00 0.00 C ATOM 553 O GLY A 33 -11.608 11.733 3.266 1.00 0.00 O ATOM 0 H GLY A 33 -8.878 12.376 6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.991 11.701 6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.998 13.224 5.263 1.00 0.00 H new ATOM 557 N MET A 34 -9.699 10.621 3.753 1.00 0.00 N ATOM 558 CA MET A 34 -9.717 9.833 2.533 1.00 0.00 C ATOM 559 C MET A 34 -9.555 8.342 2.840 1.00 0.00 C ATOM 560 O MET A 34 -8.868 7.972 3.791 1.00 0.00 O ATOM 561 CB MET A 34 -8.583 10.290 1.614 1.00 0.00 C ATOM 562 CG MET A 34 -8.968 11.564 0.858 1.00 0.00 C ATOM 563 SD MET A 34 -7.574 12.161 -0.083 1.00 0.00 S ATOM 564 CE MET A 34 -7.274 13.709 0.754 1.00 0.00 C ATOM 0 H MET A 34 -8.909 10.434 4.370 1.00 0.00 H new ATOM 0 HA MET A 34 -10.678 9.981 2.041 1.00 0.00 H new ATOM 0 HB2 MET A 34 -7.684 10.470 2.203 1.00 0.00 H new ATOM 0 HB3 MET A 34 -8.345 9.499 0.903 1.00 0.00 H new ATOM 0 HG2 MET A 34 -9.807 11.362 0.192 1.00 0.00 H new ATOM 0 HG3 MET A 34 -9.297 12.329 1.562 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.182 14.508 0.019 1.00 0.00 H new ATOM 0 HE2 MET A 34 -8.105 13.927 1.425 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.352 13.638 1.330 1.00 0.00 H new ATOM 574 N MET A 35 -10.200 7.529 2.018 1.00 0.00 N ATOM 575 CA MET A 35 -10.136 6.086 2.190 1.00 0.00 C ATOM 576 C MET A 35 -9.283 5.441 1.097 1.00 0.00 C ATOM 577 O MET A 35 -9.810 4.814 0.181 1.00 0.00 O ATOM 578 CB MET A 35 -11.551 5.505 2.143 1.00 0.00 C ATOM 579 CG MET A 35 -11.799 4.571 3.331 1.00 0.00 C ATOM 580 SD MET A 35 -12.562 5.474 4.667 1.00 0.00 S ATOM 581 CE MET A 35 -12.612 4.199 5.915 1.00 0.00 C ATOM 0 H MET A 35 -10.770 7.840 1.231 1.00 0.00 H new ATOM 0 HA MET A 35 -9.677 5.873 3.155 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.281 6.314 2.153 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.693 4.959 1.210 1.00 0.00 H new ATOM 0 HG2 MET A 35 -12.441 3.744 3.027 1.00 0.00 H new ATOM 0 HG3 MET A 35 -10.857 4.137 3.666 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.063 4.597 6.824 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.205 3.359 5.553 1.00 0.00 H new ATOM 0 HE3 MET A 35 -11.598 3.861 6.131 1.00 0.00 H new ATOM 591 N THR A 36 -7.975 5.617 1.231 1.00 0.00 N ATOM 592 CA THR A 36 -7.043 5.058 0.268 1.00 0.00 C ATOM 593 C THR A 36 -7.538 3.699 -0.228 1.00 0.00 C ATOM 594 O THR A 36 -8.189 2.964 0.512 1.00 0.00 O ATOM 595 CB THR A 36 -5.663 5.001 0.925 1.00 0.00 C ATOM 596 OG1 THR A 36 -5.876 4.244 2.114 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.197 6.367 1.432 1.00 0.00 C ATOM 0 H THR A 36 -7.540 6.139 1.992 1.00 0.00 H new ATOM 0 HA THR A 36 -6.970 5.684 -0.621 1.00 0.00 H new ATOM 0 HB THR A 36 -4.937 4.613 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.031 4.156 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.212 6.269 1.889 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.142 7.065 0.597 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.905 6.741 2.172 1.00 0.00 H new ATOM 605 N THR A 37 -7.209 3.405 -1.478 1.00 0.00 N ATOM 606 CA THR A 37 -7.612 2.146 -2.081 1.00 0.00 C ATOM 607 C THR A 37 -6.405 1.442 -2.702 1.00 0.00 C ATOM 608 O THR A 37 -5.398 2.080 -3.006 1.00 0.00 O ATOM 609 CB THR A 37 -8.728 2.440 -3.086 1.00 0.00 C ATOM 610 OG1 THR A 37 -9.906 2.505 -2.287 1.00 0.00 O ATOM 611 CG2 THR A 37 -8.986 1.265 -4.033 1.00 0.00 C ATOM 0 H THR A 37 -6.668 4.017 -2.089 1.00 0.00 H new ATOM 0 HA THR A 37 -8.002 1.455 -1.333 1.00 0.00 H new ATOM 0 HB THR A 37 -8.470 3.326 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.679 2.694 -2.859 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.786 1.525 -4.726 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.078 1.044 -4.594 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.277 0.388 -3.454 1.00 0.00 H new ATOM 619 N VAL A 38 -6.544 0.135 -2.872 1.00 0.00 N ATOM 620 CA VAL A 38 -5.477 -0.663 -3.451 1.00 0.00 C ATOM 621 C VAL A 38 -5.972 -1.303 -4.750 1.00 0.00 C ATOM 622 O VAL A 38 -6.470 -2.428 -4.741 1.00 0.00 O ATOM 623 CB VAL A 38 -4.978 -1.689 -2.432 1.00 0.00 C ATOM 624 CG1 VAL A 38 -4.007 -2.678 -3.081 1.00 0.00 C ATOM 625 CG2 VAL A 38 -4.334 -0.996 -1.230 1.00 0.00 C ATOM 0 H VAL A 38 -7.380 -0.391 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.623 -0.034 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.839 -2.253 -2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.667 -3.397 -2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.512 -3.206 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.149 -2.137 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.987 -1.747 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.488 -0.396 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.067 -0.350 -0.746 1.00 0.00 H new ATOM 635 N SER A 39 -5.820 -0.559 -5.835 1.00 0.00 N ATOM 636 CA SER A 39 -6.245 -1.040 -7.138 1.00 0.00 C ATOM 637 C SER A 39 -5.110 -1.816 -7.807 1.00 0.00 C ATOM 638 O SER A 39 -5.127 -2.030 -9.018 1.00 0.00 O ATOM 639 CB SER A 39 -6.695 0.118 -8.033 1.00 0.00 C ATOM 640 OG SER A 39 -7.986 -0.110 -8.592 1.00 0.00 O ATOM 0 H SER A 39 -5.408 0.374 -5.839 1.00 0.00 H new ATOM 0 HA SER A 39 -7.096 -1.706 -6.994 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.709 1.041 -7.453 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.972 0.258 -8.836 1.00 0.00 H new ATOM 0 HG SER A 39 -8.238 0.652 -9.155 1.00 0.00 H new ATOM 646 N GLY A 40 -4.147 -2.217 -6.988 1.00 0.00 N ATOM 647 CA GLY A 40 -3.005 -2.964 -7.485 1.00 0.00 C ATOM 648 C GLY A 40 -2.187 -3.546 -6.330 1.00 0.00 C ATOM 649 O GLY A 40 -1.933 -2.865 -5.338 1.00 0.00 O ATOM 0 H GLY A 40 -4.135 -2.038 -5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.347 -3.769 -8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.375 -2.312 -8.090 1.00 0.00 H new ATOM 653 N VAL A 41 -1.797 -4.802 -6.498 1.00 0.00 N ATOM 654 CA VAL A 41 -1.013 -5.484 -5.481 1.00 0.00 C ATOM 655 C VAL A 41 -0.035 -6.445 -6.159 1.00 0.00 C ATOM 656 O VAL A 41 -0.443 -7.316 -6.925 1.00 0.00 O ATOM 657 CB VAL A 41 -1.941 -6.180 -4.485 1.00 0.00 C ATOM 658 CG1 VAL A 41 -2.916 -7.115 -5.204 1.00 0.00 C ATOM 659 CG2 VAL A 41 -1.139 -6.936 -3.423 1.00 0.00 C ATOM 0 H VAL A 41 -2.009 -5.364 -7.322 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.423 -4.768 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.525 -5.411 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.564 -7.597 -4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.523 -6.540 -5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.356 -7.875 -5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.823 -7.422 -2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.516 -7.690 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.505 -6.236 -2.879 1.00 0.00 H new ATOM 669 N GLU A 42 1.241 -6.255 -5.851 1.00 0.00 N ATOM 670 CA GLU A 42 2.281 -7.095 -6.421 1.00 0.00 C ATOM 671 C GLU A 42 3.322 -7.444 -5.356 1.00 0.00 C ATOM 672 O GLU A 42 3.915 -6.557 -4.746 1.00 0.00 O ATOM 673 CB GLU A 42 2.936 -6.415 -7.625 1.00 0.00 C ATOM 674 CG GLU A 42 1.897 -6.078 -8.697 1.00 0.00 C ATOM 675 CD GLU A 42 1.891 -4.578 -9.002 1.00 0.00 C ATOM 676 OE1 GLU A 42 2.357 -3.776 -8.179 1.00 0.00 O ATOM 677 OE2 GLU A 42 1.378 -4.255 -10.141 1.00 0.00 O ATOM 0 H GLU A 42 1.577 -5.532 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 42 1.823 -8.020 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.440 -5.504 -7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.699 -7.069 -8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.114 -6.637 -9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.908 -6.388 -8.360 1.00 0.00 H new ATOM 685 N MET A 43 3.513 -8.742 -5.165 1.00 0.00 N ATOM 686 CA MET A 43 4.472 -9.221 -4.184 1.00 0.00 C ATOM 687 C MET A 43 5.521 -10.122 -4.839 1.00 0.00 C ATOM 688 O MET A 43 5.236 -11.271 -5.175 1.00 0.00 O ATOM 689 CB MET A 43 3.739 -9.999 -3.091 1.00 0.00 C ATOM 690 CG MET A 43 2.243 -9.678 -3.096 1.00 0.00 C ATOM 691 SD MET A 43 1.990 -7.951 -2.724 1.00 0.00 S ATOM 692 CE MET A 43 1.577 -8.066 -0.991 1.00 0.00 C ATOM 0 H MET A 43 3.020 -9.476 -5.673 1.00 0.00 H new ATOM 0 HA MET A 43 4.980 -8.361 -3.749 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.885 -11.069 -3.241 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.164 -9.753 -2.118 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.815 -9.916 -4.070 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.727 -10.296 -2.361 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.882 -7.151 -0.483 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.501 -8.201 -0.882 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.096 -8.917 -0.549 1.00 0.00 H new ATOM 702 N SER A 44 6.714 -9.568 -5.000 1.00 0.00 N ATOM 703 CA SER A 44 7.807 -10.309 -5.609 1.00 0.00 C ATOM 704 C SER A 44 8.792 -10.768 -4.531 1.00 0.00 C ATOM 705 O SER A 44 9.552 -9.962 -3.997 1.00 0.00 O ATOM 706 CB SER A 44 8.527 -9.461 -6.659 1.00 0.00 C ATOM 707 OG SER A 44 7.776 -9.355 -7.866 1.00 0.00 O ATOM 0 H SER A 44 6.948 -8.616 -4.720 1.00 0.00 H new ATOM 0 HA SER A 44 7.392 -11.184 -6.109 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.710 -8.464 -6.257 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.501 -9.901 -6.875 1.00 0.00 H new ATOM 0 HG SER A 44 8.268 -8.805 -8.510 1.00 0.00 H new ATOM 713 N ARG A 45 8.744 -12.061 -4.244 1.00 0.00 N ATOM 714 CA ARG A 45 9.622 -12.637 -3.240 1.00 0.00 C ATOM 715 C ARG A 45 10.813 -13.326 -3.909 1.00 0.00 C ATOM 716 O ARG A 45 11.693 -13.853 -3.229 1.00 0.00 O ATOM 717 CB ARG A 45 8.875 -13.652 -2.373 1.00 0.00 C ATOM 718 CG ARG A 45 8.260 -12.978 -1.146 1.00 0.00 C ATOM 719 CD ARG A 45 6.734 -12.944 -1.246 1.00 0.00 C ATOM 720 NE ARG A 45 6.221 -14.285 -1.611 1.00 0.00 N ATOM 721 CZ ARG A 45 6.066 -15.301 -0.736 1.00 0.00 C ATOM 722 NH1 ARG A 45 6.384 -15.137 0.566 1.00 0.00 N ATOM 723 NH2 ARG A 45 5.601 -16.456 -1.173 1.00 0.00 N ATOM 0 H ARG A 45 8.111 -12.725 -4.689 1.00 0.00 H new ATOM 0 HA ARG A 45 9.977 -11.826 -2.605 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.091 -14.130 -2.961 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.560 -14.438 -2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.557 -13.515 -0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.645 -11.962 -1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.306 -12.628 -0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.426 -12.212 -1.993 1.00 0.00 H new ATOM 0 HE ARG A 45 5.969 -14.451 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.744 -14.241 0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.264 -15.909 1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.365 -16.571 -2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.478 -17.234 -0.525 1.00 0.00 H new ATOM 736 N ASP A 46 10.805 -13.299 -5.233 1.00 0.00 N ATOM 737 CA ASP A 46 11.873 -13.915 -6.002 1.00 0.00 C ATOM 738 C ASP A 46 13.223 -13.452 -5.449 1.00 0.00 C ATOM 739 O ASP A 46 14.234 -14.132 -5.624 1.00 0.00 O ATOM 740 CB ASP A 46 11.799 -13.505 -7.474 1.00 0.00 C ATOM 741 CG ASP A 46 11.282 -14.590 -8.422 1.00 0.00 C ATOM 742 OD1 ASP A 46 11.943 -14.941 -9.411 1.00 0.00 O ATOM 743 OD2 ASP A 46 10.134 -15.087 -8.107 1.00 0.00 O ATOM 0 H ASP A 46 10.075 -12.860 -5.794 1.00 0.00 H new ATOM 0 HA ASP A 46 11.766 -14.997 -5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.154 -12.631 -7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.793 -13.201 -7.801 1.00 0.00 H new ATOM 749 N LEU A 47 13.196 -12.300 -4.796 1.00 0.00 N ATOM 750 CA LEU A 47 14.406 -11.740 -4.218 1.00 0.00 C ATOM 751 C LEU A 47 14.059 -11.032 -2.908 1.00 0.00 C ATOM 752 O LEU A 47 14.552 -11.408 -1.845 1.00 0.00 O ATOM 753 CB LEU A 47 15.118 -10.841 -5.233 1.00 0.00 C ATOM 754 CG LEU A 47 16.276 -11.484 -6.000 1.00 0.00 C ATOM 755 CD1 LEU A 47 16.448 -10.835 -7.375 1.00 0.00 C ATOM 756 CD2 LEU A 47 17.567 -11.441 -5.180 1.00 0.00 C ATOM 0 H LEU A 47 12.356 -11.739 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 47 15.115 -12.532 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.382 -10.487 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.498 -9.964 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 47 16.036 -12.534 -6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.277 -11.309 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.533 -10.960 -7.954 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.657 -9.772 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.374 -11.904 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.825 -10.405 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.423 -11.983 -4.246 1.00 0.00 H new ATOM 768 N ALA A 48 13.212 -10.020 -3.025 1.00 0.00 N ATOM 769 CA ALA A 48 12.793 -9.255 -1.863 1.00 0.00 C ATOM 770 C ALA A 48 12.195 -7.923 -2.321 1.00 0.00 C ATOM 771 O ALA A 48 12.876 -6.899 -2.318 1.00 0.00 O ATOM 772 CB ALA A 48 13.984 -9.065 -0.920 1.00 0.00 C ATOM 0 H ALA A 48 12.804 -9.712 -3.908 1.00 0.00 H new ATOM 0 HA ALA A 48 12.021 -9.790 -1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.670 -8.491 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.353 -10.039 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.778 -8.529 -1.440 1.00 0.00 H new ATOM 778 N TYR A 49 10.927 -7.982 -2.704 1.00 0.00 N ATOM 779 CA TYR A 49 10.231 -6.792 -3.164 1.00 0.00 C ATOM 780 C TYR A 49 8.715 -7.009 -3.159 1.00 0.00 C ATOM 781 O TYR A 49 8.234 -8.060 -3.576 1.00 0.00 O ATOM 782 CB TYR A 49 10.695 -6.561 -4.603 1.00 0.00 C ATOM 783 CG TYR A 49 12.214 -6.572 -4.775 1.00 0.00 C ATOM 784 CD1 TYR A 49 12.960 -5.473 -4.399 1.00 0.00 C ATOM 785 CD2 TYR A 49 12.842 -7.680 -5.306 1.00 0.00 C ATOM 786 CE1 TYR A 49 14.390 -5.482 -4.561 1.00 0.00 C ATOM 787 CE2 TYR A 49 14.273 -7.690 -5.468 1.00 0.00 C ATOM 788 CZ TYR A 49 14.977 -6.590 -5.088 1.00 0.00 C ATOM 789 OH TYR A 49 16.328 -6.599 -5.240 1.00 0.00 O ATOM 0 H TYR A 49 10.365 -8.833 -2.705 1.00 0.00 H new ATOM 0 HA TYR A 49 10.448 -5.945 -2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 49 10.262 -7.331 -5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 49 10.307 -5.603 -4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 49 12.470 -4.605 -3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.260 -8.541 -5.600 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.984 -4.628 -4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.776 -8.552 -5.882 1.00 0.00 H new ATOM 0 HH TYR A 49 16.608 -7.455 -5.627 1.00 0.00 H new ATOM 799 N ALA A 50 8.007 -5.997 -2.679 1.00 0.00 N ATOM 800 CA ALA A 50 6.557 -6.063 -2.614 1.00 0.00 C ATOM 801 C ALA A 50 5.967 -4.732 -3.087 1.00 0.00 C ATOM 802 O ALA A 50 5.845 -3.792 -2.305 1.00 0.00 O ATOM 803 CB ALA A 50 6.125 -6.419 -1.189 1.00 0.00 C ATOM 0 H ALA A 50 8.411 -5.127 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 50 6.179 -6.844 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.037 -6.468 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.545 -7.386 -0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.485 -5.656 -0.498 1.00 0.00 H new ATOM 809 N LYS A 51 5.619 -4.697 -4.364 1.00 0.00 N ATOM 810 CA LYS A 51 5.046 -3.498 -4.950 1.00 0.00 C ATOM 811 C LYS A 51 3.539 -3.475 -4.685 1.00 0.00 C ATOM 812 O LYS A 51 2.799 -4.297 -5.221 1.00 0.00 O ATOM 813 CB LYS A 51 5.411 -3.399 -6.432 1.00 0.00 C ATOM 814 CG LYS A 51 6.631 -4.262 -6.756 1.00 0.00 C ATOM 815 CD LYS A 51 7.353 -3.746 -8.002 1.00 0.00 C ATOM 816 CE LYS A 51 8.841 -3.520 -7.719 1.00 0.00 C ATOM 817 NZ LYS A 51 9.654 -3.883 -8.902 1.00 0.00 N ATOM 0 H LYS A 51 5.723 -5.480 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 51 5.466 -2.608 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.564 -3.717 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.617 -2.360 -6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.316 -4.262 -5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.319 -5.294 -6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.238 -4.462 -8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.896 -2.813 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.013 -2.476 -7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.149 -4.118 -6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.660 -3.724 -8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.502 -4.886 -9.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.371 -3.295 -9.712 1.00 0.00 H new ATOM 830 N VAL A 52 3.130 -2.526 -3.858 1.00 0.00 N ATOM 831 CA VAL A 52 1.726 -2.385 -3.515 1.00 0.00 C ATOM 832 C VAL A 52 1.215 -1.033 -4.017 1.00 0.00 C ATOM 833 O VAL A 52 1.874 -0.011 -3.840 1.00 0.00 O ATOM 834 CB VAL A 52 1.533 -2.573 -2.008 1.00 0.00 C ATOM 835 CG1 VAL A 52 1.948 -1.316 -1.241 1.00 0.00 C ATOM 836 CG2 VAL A 52 0.090 -2.963 -1.684 1.00 0.00 C ATOM 0 H VAL A 52 3.747 -1.846 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 52 1.135 -3.159 -4.005 1.00 0.00 H new ATOM 0 HB VAL A 52 2.180 -3.389 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.801 -1.476 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.999 -1.102 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.340 -0.473 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.019 -3.090 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.585 -2.179 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.156 -3.898 -2.187 1.00 0.00 H new ATOM 846 N TYR A 53 0.044 -1.072 -4.636 1.00 0.00 N ATOM 847 CA TYR A 53 -0.565 0.136 -5.166 1.00 0.00 C ATOM 848 C TYR A 53 -1.465 0.800 -4.123 1.00 0.00 C ATOM 849 O TYR A 53 -2.045 0.121 -3.277 1.00 0.00 O ATOM 850 CB TYR A 53 -1.420 -0.309 -6.354 1.00 0.00 C ATOM 851 CG TYR A 53 -1.328 0.618 -7.569 1.00 0.00 C ATOM 852 CD1 TYR A 53 -0.108 0.846 -8.171 1.00 0.00 C ATOM 853 CD2 TYR A 53 -2.465 1.225 -8.061 1.00 0.00 C ATOM 854 CE1 TYR A 53 -0.021 1.716 -9.315 1.00 0.00 C ATOM 855 CE2 TYR A 53 -2.378 2.095 -9.205 1.00 0.00 C ATOM 856 CZ TYR A 53 -1.160 2.299 -9.775 1.00 0.00 C ATOM 857 OH TYR A 53 -1.078 3.121 -10.855 1.00 0.00 O ATOM 0 H TYR A 53 -0.500 -1.923 -4.782 1.00 0.00 H new ATOM 0 HA TYR A 53 0.200 0.859 -5.450 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.116 -1.313 -6.652 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.461 -0.372 -6.036 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.782 0.372 -7.784 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.420 1.048 -7.588 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.928 1.901 -9.797 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.260 2.575 -9.602 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.261 3.658 -10.796 1.00 0.00 H new ATOM 867 N VAL A 54 -1.555 2.118 -4.220 1.00 0.00 N ATOM 868 CA VAL A 54 -2.375 2.881 -3.294 1.00 0.00 C ATOM 869 C VAL A 54 -2.832 4.174 -3.973 1.00 0.00 C ATOM 870 O VAL A 54 -2.008 4.988 -4.386 1.00 0.00 O ATOM 871 CB VAL A 54 -1.608 3.127 -1.994 1.00 0.00 C ATOM 872 CG1 VAL A 54 -1.043 1.820 -1.434 1.00 0.00 C ATOM 873 CG2 VAL A 54 -0.499 4.161 -2.198 1.00 0.00 C ATOM 0 H VAL A 54 -1.074 2.677 -4.925 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.270 2.320 -3.025 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.310 3.529 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.502 2.024 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.860 1.128 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.363 1.376 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.030 4.317 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.200 3.801 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.936 5.103 -2.529 1.00 0.00 H new ATOM 883 N THR A 55 -4.146 4.326 -4.064 1.00 0.00 N ATOM 884 CA THR A 55 -4.722 5.505 -4.685 1.00 0.00 C ATOM 885 C THR A 55 -5.463 6.347 -3.644 1.00 0.00 C ATOM 886 O THR A 55 -6.238 5.817 -2.849 1.00 0.00 O ATOM 887 CB THR A 55 -5.612 5.045 -5.840 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.640 6.030 -5.902 1.00 0.00 O ATOM 889 CG2 THR A 55 -6.361 3.748 -5.523 1.00 0.00 C ATOM 0 H THR A 55 -4.828 3.651 -3.717 1.00 0.00 H new ATOM 0 HA THR A 55 -3.948 6.155 -5.093 1.00 0.00 H new ATOM 0 HB THR A 55 -5.002 4.904 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.261 5.809 -6.627 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.978 3.466 -6.376 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.643 2.954 -5.317 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.996 3.899 -4.650 1.00 0.00 H new ATOM 897 N PHE A 56 -5.201 7.645 -3.683 1.00 0.00 N ATOM 898 CA PHE A 56 -5.833 8.565 -2.753 1.00 0.00 C ATOM 899 C PHE A 56 -6.620 9.644 -3.499 1.00 0.00 C ATOM 900 O PHE A 56 -6.482 9.791 -4.713 1.00 0.00 O ATOM 901 CB PHE A 56 -4.713 9.230 -1.950 1.00 0.00 C ATOM 902 CG PHE A 56 -3.607 8.270 -1.511 1.00 0.00 C ATOM 903 CD1 PHE A 56 -3.920 7.004 -1.121 1.00 0.00 C ATOM 904 CD2 PHE A 56 -2.311 8.679 -1.510 1.00 0.00 C ATOM 905 CE1 PHE A 56 -2.894 6.113 -0.713 1.00 0.00 C ATOM 906 CE2 PHE A 56 -1.284 7.786 -1.103 1.00 0.00 C ATOM 907 CZ PHE A 56 -1.597 6.522 -0.712 1.00 0.00 C ATOM 0 H PHE A 56 -4.559 8.082 -4.345 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.528 8.025 -2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.272 10.025 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.144 9.700 -1.066 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.950 6.678 -1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.062 9.683 -1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.143 5.109 -0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.254 8.111 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.816 5.843 -0.401 1.00 0.00 H new ATOM 917 N LEU A 57 -7.428 10.372 -2.743 1.00 0.00 N ATOM 918 CA LEU A 57 -8.237 11.434 -3.318 1.00 0.00 C ATOM 919 C LEU A 57 -7.600 12.786 -2.993 1.00 0.00 C ATOM 920 O LEU A 57 -8.254 13.823 -3.092 1.00 0.00 O ATOM 921 CB LEU A 57 -9.690 11.311 -2.854 1.00 0.00 C ATOM 922 CG LEU A 57 -10.737 11.984 -3.744 1.00 0.00 C ATOM 923 CD1 LEU A 57 -11.084 11.102 -4.946 1.00 0.00 C ATOM 924 CD2 LEU A 57 -11.978 12.367 -2.937 1.00 0.00 C ATOM 0 H LEU A 57 -7.540 10.248 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.265 11.347 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.937 10.252 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.768 11.733 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.310 12.907 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.830 11.604 -5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.186 10.923 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.483 10.150 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.706 12.843 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.417 11.471 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.697 13.060 -2.144 1.00 0.00 H new ATOM 936 N ASN A 58 -6.332 12.733 -2.614 1.00 0.00 N ATOM 937 CA ASN A 58 -5.600 13.940 -2.275 1.00 0.00 C ATOM 938 C ASN A 58 -5.567 14.870 -3.490 1.00 0.00 C ATOM 939 O ASN A 58 -5.561 16.091 -3.341 1.00 0.00 O ATOM 940 CB ASN A 58 -4.156 13.618 -1.888 1.00 0.00 C ATOM 941 CG ASN A 58 -3.931 13.826 -0.388 1.00 0.00 C ATOM 942 OD1 ASN A 58 -3.336 13.008 0.296 1.00 0.00 O ATOM 943 ND2 ASN A 58 -4.438 14.961 0.083 1.00 0.00 N ATOM 0 H ASN A 58 -5.792 11.871 -2.534 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.103 14.413 -1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.926 12.586 -2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.474 14.253 -2.453 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.341 15.191 1.072 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.924 15.601 -0.544 1.00 0.00 H new ATOM 950 N ASP A 59 -5.547 14.256 -4.664 1.00 0.00 N ATOM 951 CA ASP A 59 -5.516 15.014 -5.903 1.00 0.00 C ATOM 952 C ASP A 59 -6.434 16.231 -5.775 1.00 0.00 C ATOM 953 O ASP A 59 -6.103 17.316 -6.253 1.00 0.00 O ATOM 954 CB ASP A 59 -6.013 14.168 -7.079 1.00 0.00 C ATOM 955 CG ASP A 59 -6.560 14.965 -8.263 1.00 0.00 C ATOM 956 OD1 ASP A 59 -7.782 15.104 -8.430 1.00 0.00 O ATOM 957 OD2 ASP A 59 -5.664 15.462 -9.046 1.00 0.00 O ATOM 0 H ASP A 59 -5.552 13.243 -4.783 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.485 15.318 -6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.192 13.543 -7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.794 13.497 -6.720 1.00 0.00 H new ATOM 963 N LYS A 60 -7.569 16.011 -5.130 1.00 0.00 N ATOM 964 CA LYS A 60 -8.538 17.076 -4.934 1.00 0.00 C ATOM 965 C LYS A 60 -7.799 18.383 -4.638 1.00 0.00 C ATOM 966 O LYS A 60 -8.142 19.431 -5.181 1.00 0.00 O ATOM 967 CB LYS A 60 -9.552 16.687 -3.857 1.00 0.00 C ATOM 968 CG LYS A 60 -10.845 16.165 -4.485 1.00 0.00 C ATOM 969 CD LYS A 60 -11.827 15.694 -3.409 1.00 0.00 C ATOM 970 CE LYS A 60 -12.435 16.883 -2.664 1.00 0.00 C ATOM 971 NZ LYS A 60 -13.705 17.301 -3.300 1.00 0.00 N ATOM 0 H LYS A 60 -7.840 15.110 -4.736 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.118 17.235 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.124 15.923 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.771 17.551 -3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.306 16.951 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.618 15.341 -5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.620 15.104 -3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.313 15.042 -2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.614 16.614 -1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.732 17.716 -2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.104 18.109 -2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.525 17.578 -4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.380 16.510 -3.280 1.00 0.00 H new ATOM 984 N ASP A 61 -6.796 18.278 -3.779 1.00 0.00 N ATOM 985 CA ASP A 61 -6.005 19.437 -3.405 1.00 0.00 C ATOM 986 C ASP A 61 -4.521 19.121 -3.599 1.00 0.00 C ATOM 987 O ASP A 61 -3.993 18.197 -2.982 1.00 0.00 O ATOM 988 CB ASP A 61 -6.222 19.800 -1.934 1.00 0.00 C ATOM 989 CG ASP A 61 -7.601 19.443 -1.375 1.00 0.00 C ATOM 990 OD1 ASP A 61 -8.569 20.203 -1.524 1.00 0.00 O ATOM 991 OD2 ASP A 61 -7.662 18.311 -0.758 1.00 0.00 O ATOM 0 H ASP A 61 -6.513 17.407 -3.331 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.314 20.273 -4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.463 19.296 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.064 20.872 -1.813 1.00 0.00 H new ATOM 997 N GLU A 62 -3.889 19.907 -4.459 1.00 0.00 N ATOM 998 CA GLU A 62 -2.476 19.723 -4.742 1.00 0.00 C ATOM 999 C GLU A 62 -1.641 20.038 -3.500 1.00 0.00 C ATOM 1000 O GLU A 62 -0.509 19.570 -3.373 1.00 0.00 O ATOM 1001 CB GLU A 62 -2.038 20.581 -5.930 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.704 20.094 -6.497 1.00 0.00 C ATOM 1003 CD GLU A 62 0.073 21.246 -7.140 1.00 0.00 C ATOM 1004 OE1 GLU A 62 1.096 21.684 -6.594 1.00 0.00 O ATOM 1005 OE2 GLU A 62 -0.421 21.685 -8.247 1.00 0.00 O ATOM 0 H GLU A 62 -4.330 20.673 -4.969 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.312 18.679 -5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.801 20.548 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.946 21.621 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.108 19.648 -5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.883 19.314 -7.237 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.230 20.827 -2.614 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.554 21.210 -1.386 1.00 0.00 C ATOM 1015 C ASP A 63 -1.491 20.004 -0.447 1.00 0.00 C ATOM 1016 O ASP A 63 -0.455 19.739 0.162 1.00 0.00 O ATOM 1017 CB ASP A 63 -2.309 22.331 -0.668 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.468 23.564 -0.332 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -1.325 24.483 -1.154 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -0.939 23.560 0.845 1.00 0.00 O ATOM 0 H ASP A 63 -3.168 21.212 -2.722 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.554 21.558 -1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.148 22.641 -1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.728 21.933 0.256 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.612 19.304 -0.357 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.698 18.132 0.499 1.00 0.00 C ATOM 1028 C ALA A 64 -2.021 16.949 -0.196 1.00 0.00 C ATOM 1029 O ALA A 64 -1.650 15.973 0.453 1.00 0.00 O ATOM 1030 CB ALA A 64 -4.164 17.851 0.834 1.00 0.00 C ATOM 0 H ALA A 64 -3.469 19.526 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.176 18.304 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.229 16.972 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.590 18.710 1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.719 17.670 -0.086 1.00 0.00 H new ATOM 1036 N VAL A 65 -1.880 17.074 -1.508 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.255 16.027 -2.297 1.00 0.00 C ATOM 1038 C VAL A 65 0.258 16.061 -2.073 1.00 0.00 C ATOM 1039 O VAL A 65 0.889 15.016 -1.915 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.644 16.178 -3.769 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.458 16.668 -4.602 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.201 14.867 -4.325 1.00 0.00 C ATOM 0 H VAL A 65 -2.188 17.885 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.610 15.046 -1.980 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.431 16.930 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.761 16.767 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.126 17.636 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.359 15.951 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.470 15.001 -5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.445 14.086 -4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.086 14.578 -3.758 1.00 0.00 H new ATOM 1052 N LYS A 66 0.796 17.271 -2.065 1.00 0.00 N ATOM 1053 CA LYS A 66 2.224 17.455 -1.862 1.00 0.00 C ATOM 1054 C LYS A 66 2.566 17.184 -0.396 1.00 0.00 C ATOM 1055 O LYS A 66 3.472 16.407 -0.100 1.00 0.00 O ATOM 1056 CB LYS A 66 2.662 18.837 -2.351 1.00 0.00 C ATOM 1057 CG LYS A 66 3.732 18.721 -3.437 1.00 0.00 C ATOM 1058 CD LYS A 66 3.104 18.745 -4.832 1.00 0.00 C ATOM 1059 CE LYS A 66 3.780 17.727 -5.755 1.00 0.00 C ATOM 1060 NZ LYS A 66 4.908 18.354 -6.477 1.00 0.00 N ATOM 0 H LYS A 66 0.269 18.135 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 66 2.788 16.738 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.800 19.378 -2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.050 19.417 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.443 19.541 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.292 17.796 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.039 18.524 -4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.194 19.744 -5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.140 16.880 -5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.055 17.337 -6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.356 17.651 -7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.556 19.148 -7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.607 18.705 -5.791 1.00 0.00 H new ATOM 1073 N ALA A 67 1.821 17.839 0.482 1.00 0.00 N ATOM 1074 CA ALA A 67 2.033 17.680 1.910 1.00 0.00 C ATOM 1075 C ALA A 67 1.684 16.246 2.317 1.00 0.00 C ATOM 1076 O ALA A 67 2.490 15.561 2.945 1.00 0.00 O ATOM 1077 CB ALA A 67 1.206 18.718 2.670 1.00 0.00 C ATOM 0 H ALA A 67 1.069 18.481 0.232 1.00 0.00 H new ATOM 0 HA ALA A 67 3.080 17.850 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.366 18.597 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.512 19.719 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.149 18.578 2.443 1.00 0.00 H new ATOM 1083 N GLY A 68 0.482 15.836 1.940 1.00 0.00 N ATOM 1084 CA GLY A 68 0.015 14.496 2.257 1.00 0.00 C ATOM 1085 C GLY A 68 1.028 13.442 1.804 1.00 0.00 C ATOM 1086 O GLY A 68 1.569 12.702 2.627 1.00 0.00 O ATOM 0 H GLY A 68 -0.183 16.407 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.150 14.409 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.944 14.317 1.771 1.00 0.00 H new ATOM 1090 N ILE A 69 1.255 13.407 0.500 1.00 0.00 N ATOM 1091 CA ILE A 69 2.193 12.455 -0.071 1.00 0.00 C ATOM 1092 C ILE A 69 3.530 12.559 0.666 1.00 0.00 C ATOM 1093 O ILE A 69 4.213 11.555 0.864 1.00 0.00 O ATOM 1094 CB ILE A 69 2.308 12.657 -1.583 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.736 11.364 -2.278 1.00 0.00 C ATOM 1096 CG2 ILE A 69 3.245 13.822 -1.912 1.00 0.00 C ATOM 1097 CD1 ILE A 69 1.888 11.105 -3.526 1.00 0.00 C ATOM 0 H ILE A 69 0.806 14.022 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 69 1.831 11.436 0.065 1.00 0.00 H new ATOM 0 HB ILE A 69 1.322 12.918 -1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.788 11.427 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.638 10.526 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.309 13.944 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.857 14.738 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.237 13.615 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.213 10.179 -4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.839 11.018 -3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.007 11.933 -4.225 1.00 0.00 H new ATOM 1109 N LYS A 70 3.864 13.781 1.052 1.00 0.00 N ATOM 1110 CA LYS A 70 5.106 14.029 1.763 1.00 0.00 C ATOM 1111 C LYS A 70 5.090 13.266 3.090 1.00 0.00 C ATOM 1112 O LYS A 70 6.124 12.770 3.537 1.00 0.00 O ATOM 1113 CB LYS A 70 5.343 15.532 1.921 1.00 0.00 C ATOM 1114 CG LYS A 70 6.310 16.050 0.854 1.00 0.00 C ATOM 1115 CD LYS A 70 6.199 17.568 0.705 1.00 0.00 C ATOM 1116 CE LYS A 70 6.485 18.272 2.033 1.00 0.00 C ATOM 1117 NZ LYS A 70 7.721 19.080 1.937 1.00 0.00 N ATOM 0 H LYS A 70 3.295 14.611 0.886 1.00 0.00 H new ATOM 0 HA LYS A 70 5.954 13.655 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.394 16.063 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.746 15.738 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.332 15.781 1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.095 15.570 -0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.901 17.915 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.200 17.831 0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.645 18.913 2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.587 17.533 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.900 19.551 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.523 18.461 1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.610 19.797 1.192 1.00 0.00 H new ATOM 1130 N ALA A 71 3.907 13.195 3.680 1.00 0.00 N ATOM 1131 CA ALA A 71 3.743 12.502 4.947 1.00 0.00 C ATOM 1132 C ALA A 71 3.720 10.991 4.697 1.00 0.00 C ATOM 1133 O ALA A 71 4.297 10.222 5.463 1.00 0.00 O ATOM 1134 CB ALA A 71 2.474 12.998 5.642 1.00 0.00 C ATOM 0 H ALA A 71 3.052 13.606 3.305 1.00 0.00 H new ATOM 0 HA ALA A 71 4.581 12.714 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.352 12.477 6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.554 14.070 5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.610 12.801 5.007 1.00 0.00 H new ATOM 1140 N LEU A 72 3.044 10.612 3.621 1.00 0.00 N ATOM 1141 CA LEU A 72 2.937 9.209 3.261 1.00 0.00 C ATOM 1142 C LEU A 72 4.310 8.693 2.827 1.00 0.00 C ATOM 1143 O LEU A 72 4.549 7.487 2.823 1.00 0.00 O ATOM 1144 CB LEU A 72 1.844 9.008 2.209 1.00 0.00 C ATOM 1145 CG LEU A 72 1.083 7.683 2.276 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -0.381 7.869 1.874 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.779 6.610 1.435 1.00 0.00 C ATOM 0 H LEU A 72 2.566 11.253 2.988 1.00 0.00 H new ATOM 0 HA LEU A 72 2.631 8.616 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.125 9.822 2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.298 9.094 1.222 1.00 0.00 H new ATOM 0 HG LEU A 72 1.089 7.337 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.898 6.911 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.857 8.579 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.433 8.250 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.219 5.677 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.825 6.935 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.790 6.452 1.811 1.00 0.00 H new ATOM 1159 N GLN A 73 5.174 9.631 2.472 1.00 0.00 N ATOM 1160 CA GLN A 73 6.518 9.285 2.039 1.00 0.00 C ATOM 1161 C GLN A 73 7.438 9.109 3.247 1.00 0.00 C ATOM 1162 O GLN A 73 8.116 8.090 3.373 1.00 0.00 O ATOM 1163 CB GLN A 73 7.072 10.340 1.078 1.00 0.00 C ATOM 1164 CG GLN A 73 8.068 9.718 0.097 1.00 0.00 C ATOM 1165 CD GLN A 73 9.505 10.089 0.468 1.00 0.00 C ATOM 1166 OE1 GLN A 73 10.181 9.398 1.212 1.00 0.00 O ATOM 1167 NE2 GLN A 73 9.935 11.218 -0.091 1.00 0.00 N ATOM 0 H GLN A 73 4.971 10.631 2.475 1.00 0.00 H new ATOM 0 HA GLN A 73 6.472 8.338 1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.253 10.801 0.527 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.561 11.133 1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.956 8.634 0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.850 10.060 -0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.318 11.750 -0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.881 11.551 0.095 1.00 0.00 H new ATOM 1176 N GLU A 74 7.432 10.116 4.108 1.00 0.00 N ATOM 1177 CA GLU A 74 8.258 10.085 5.304 1.00 0.00 C ATOM 1178 C GLU A 74 7.919 8.856 6.150 1.00 0.00 C ATOM 1179 O GLU A 74 8.793 8.287 6.803 1.00 0.00 O ATOM 1180 CB GLU A 74 8.097 11.372 6.114 1.00 0.00 C ATOM 1181 CG GLU A 74 6.917 11.266 7.082 1.00 0.00 C ATOM 1182 CD GLU A 74 6.762 12.549 7.900 1.00 0.00 C ATOM 1183 OE1 GLU A 74 7.353 13.583 7.552 1.00 0.00 O ATOM 1184 OE2 GLU A 74 5.996 12.449 8.933 1.00 0.00 O ATOM 0 H GLU A 74 6.868 10.959 4.001 1.00 0.00 H new ATOM 0 HA GLU A 74 9.303 10.015 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.012 11.572 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.944 12.214 5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.001 11.073 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.066 10.419 7.752 1.00 0.00 H new ATOM 1192 N ALA A 75 6.648 8.484 6.113 1.00 0.00 N ATOM 1193 CA ALA A 75 6.184 7.333 6.868 1.00 0.00 C ATOM 1194 C ALA A 75 6.365 6.068 6.026 1.00 0.00 C ATOM 1195 O ALA A 75 5.821 5.015 6.356 1.00 0.00 O ATOM 1196 CB ALA A 75 4.728 7.551 7.286 1.00 0.00 C ATOM 0 H ALA A 75 5.925 8.959 5.572 1.00 0.00 H new ATOM 0 HA ALA A 75 6.771 7.209 7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.379 6.688 7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.657 8.445 7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.109 7.676 6.397 1.00 0.00 H new ATOM 1202 N SER A 76 7.130 6.213 4.955 1.00 0.00 N ATOM 1203 CA SER A 76 7.390 5.095 4.064 1.00 0.00 C ATOM 1204 C SER A 76 8.000 3.931 4.847 1.00 0.00 C ATOM 1205 O SER A 76 7.323 2.943 5.127 1.00 0.00 O ATOM 1206 CB SER A 76 8.317 5.508 2.919 1.00 0.00 C ATOM 1207 OG SER A 76 9.522 6.101 3.394 1.00 0.00 O ATOM 0 H SER A 76 7.579 7.088 4.684 1.00 0.00 H new ATOM 0 HA SER A 76 6.442 4.775 3.632 1.00 0.00 H new ATOM 0 HB2 SER A 76 8.557 4.634 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.798 6.213 2.269 1.00 0.00 H new ATOM 0 HG SER A 76 9.379 7.059 3.541 1.00 0.00 H new ATOM 1213 N GLY A 77 9.273 4.087 5.180 1.00 0.00 N ATOM 1214 CA GLY A 77 9.983 3.061 5.926 1.00 0.00 C ATOM 1215 C GLY A 77 9.186 2.633 7.161 1.00 0.00 C ATOM 1216 O GLY A 77 9.413 1.554 7.707 1.00 0.00 O ATOM 0 H GLY A 77 9.831 4.908 4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.160 2.197 5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.959 3.438 6.231 1.00 0.00 H new ATOM 1220 N PHE A 78 8.272 3.501 7.567 1.00 0.00 N ATOM 1221 CA PHE A 78 7.443 3.227 8.727 1.00 0.00 C ATOM 1222 C PHE A 78 6.370 2.184 8.401 1.00 0.00 C ATOM 1223 O PHE A 78 6.125 1.273 9.190 1.00 0.00 O ATOM 1224 CB PHE A 78 6.758 4.541 9.110 1.00 0.00 C ATOM 1225 CG PHE A 78 7.201 5.102 10.463 1.00 0.00 C ATOM 1226 CD1 PHE A 78 8.305 5.892 10.543 1.00 0.00 C ATOM 1227 CD2 PHE A 78 6.489 4.812 11.585 1.00 0.00 C ATOM 1228 CE1 PHE A 78 8.716 6.411 11.799 1.00 0.00 C ATOM 1229 CE2 PHE A 78 6.899 5.334 12.840 1.00 0.00 C ATOM 1230 CZ PHE A 78 8.004 6.121 12.921 1.00 0.00 C ATOM 0 H PHE A 78 8.087 4.395 7.113 1.00 0.00 H new ATOM 0 HA PHE A 78 8.058 2.837 9.538 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.959 5.283 8.337 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.679 4.385 9.128 1.00 0.00 H new ATOM 0 HD1 PHE A 78 8.869 6.124 9.652 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.612 4.185 11.521 1.00 0.00 H new ATOM 0 HE1 PHE A 78 9.594 7.036 11.864 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.333 5.106 13.731 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.317 6.516 13.876 1.00 0.00 H new ATOM 1240 N ILE A 79 5.759 2.355 7.237 1.00 0.00 N ATOM 1241 CA ILE A 79 4.720 1.441 6.797 1.00 0.00 C ATOM 1242 C ILE A 79 5.353 0.100 6.420 1.00 0.00 C ATOM 1243 O ILE A 79 4.784 -0.956 6.691 1.00 0.00 O ATOM 1244 CB ILE A 79 3.894 2.070 5.673 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.798 2.585 4.551 1.00 0.00 C ATOM 1246 CG2 ILE A 79 2.973 3.164 6.215 1.00 0.00 C ATOM 1247 CD1 ILE A 79 4.002 2.810 3.266 1.00 0.00 C ATOM 0 H ILE A 79 5.964 3.113 6.586 1.00 0.00 H new ATOM 0 HA ILE A 79 4.016 1.245 7.606 1.00 0.00 H new ATOM 0 HB ILE A 79 3.257 1.297 5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.270 3.518 4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.599 1.869 4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.398 3.594 5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.292 2.735 6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.572 3.943 6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.668 3.176 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.551 1.870 2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.218 3.545 3.448 1.00 0.00 H new ATOM 1259 N ARG A 80 6.521 0.187 5.800 1.00 0.00 N ATOM 1260 CA ARG A 80 7.236 -1.007 5.382 1.00 0.00 C ATOM 1261 C ARG A 80 7.718 -1.792 6.604 1.00 0.00 C ATOM 1262 O ARG A 80 7.524 -3.005 6.682 1.00 0.00 O ATOM 1263 CB ARG A 80 8.440 -0.650 4.508 1.00 0.00 C ATOM 1264 CG ARG A 80 9.265 -1.894 4.175 1.00 0.00 C ATOM 1265 CD ARG A 80 9.819 -1.821 2.751 1.00 0.00 C ATOM 1266 NE ARG A 80 11.053 -1.006 2.727 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.268 -1.462 3.105 1.00 0.00 C ATOM 1268 NH1 ARG A 80 12.419 -2.731 3.538 1.00 0.00 N ATOM 1269 NH2 ARG A 80 13.303 -0.645 3.044 1.00 0.00 N ATOM 0 H ARG A 80 6.990 1.065 5.577 1.00 0.00 H new ATOM 0 HA ARG A 80 6.547 -1.619 4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.098 -0.179 3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.066 0.078 5.025 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.087 -1.990 4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.646 -2.785 4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.030 -2.825 2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.074 -1.387 2.084 1.00 0.00 H new ATOM 0 HE ARG A 80 10.983 -0.041 2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.613 -3.354 3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.339 -3.067 3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.178 0.313 2.716 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.228 -0.971 3.325 1.00 0.00 H new ATOM 1282 N SER A 81 8.334 -1.068 7.528 1.00 0.00 N ATOM 1283 CA SER A 81 8.845 -1.683 8.741 1.00 0.00 C ATOM 1284 C SER A 81 7.682 -2.113 9.638 1.00 0.00 C ATOM 1285 O SER A 81 7.742 -3.163 10.277 1.00 0.00 O ATOM 1286 CB SER A 81 9.770 -0.726 9.495 1.00 0.00 C ATOM 1287 OG SER A 81 11.062 -0.651 8.896 1.00 0.00 O ATOM 0 H SER A 81 8.490 -0.062 7.461 1.00 0.00 H new ATOM 0 HA SER A 81 9.425 -2.562 8.462 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.323 0.268 9.518 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.868 -1.056 10.529 1.00 0.00 H new ATOM 0 HG SER A 81 11.083 0.090 8.255 1.00 0.00 H new ATOM 1293 N LEU A 82 6.652 -1.281 9.658 1.00 0.00 N ATOM 1294 CA LEU A 82 5.477 -1.561 10.465 1.00 0.00 C ATOM 1295 C LEU A 82 4.819 -2.850 9.969 1.00 0.00 C ATOM 1296 O LEU A 82 4.263 -3.611 10.759 1.00 0.00 O ATOM 1297 CB LEU A 82 4.536 -0.356 10.481 1.00 0.00 C ATOM 1298 CG LEU A 82 3.237 -0.528 11.272 1.00 0.00 C ATOM 1299 CD1 LEU A 82 3.064 0.598 12.293 1.00 0.00 C ATOM 1300 CD2 LEU A 82 2.034 -0.640 10.333 1.00 0.00 C ATOM 0 H LEU A 82 6.607 -0.411 9.127 1.00 0.00 H new ATOM 0 HA LEU A 82 5.760 -1.726 11.505 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.077 0.497 10.891 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.280 -0.106 9.451 1.00 0.00 H new ATOM 0 HG LEU A 82 3.298 -1.462 11.830 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.133 0.452 12.841 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.902 0.589 12.990 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.034 1.557 11.776 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.124 -0.761 10.920 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.958 0.264 9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.162 -1.503 9.679 1.00 0.00 H new ATOM 1312 N LEU A 83 4.901 -3.053 8.662 1.00 0.00 N ATOM 1313 CA LEU A 83 4.319 -4.236 8.051 1.00 0.00 C ATOM 1314 C LEU A 83 5.105 -5.472 8.492 1.00 0.00 C ATOM 1315 O LEU A 83 4.543 -6.389 9.089 1.00 0.00 O ATOM 1316 CB LEU A 83 4.238 -4.069 6.532 1.00 0.00 C ATOM 1317 CG LEU A 83 3.172 -3.097 6.020 1.00 0.00 C ATOM 1318 CD1 LEU A 83 3.648 -2.379 4.756 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.837 -3.812 5.805 1.00 0.00 C ATOM 0 H LEU A 83 5.361 -2.418 8.010 1.00 0.00 H new ATOM 0 HA LEU A 83 3.292 -4.373 8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.210 -3.734 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.053 -5.047 6.088 1.00 0.00 H new ATOM 0 HG LEU A 83 3.010 -2.334 6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.873 -1.694 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.556 -1.818 4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.855 -3.113 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.097 -3.099 5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.965 -4.608 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.497 -4.239 6.749 1.00 0.00 H new ATOM 1331 N GLY A 84 6.393 -5.456 8.182 1.00 0.00 N ATOM 1332 CA GLY A 84 7.262 -6.566 8.539 1.00 0.00 C ATOM 1333 C GLY A 84 7.017 -7.010 9.982 1.00 0.00 C ATOM 1334 O GLY A 84 6.817 -8.195 10.245 1.00 0.00 O ATOM 0 H GLY A 84 6.856 -4.693 7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.087 -7.402 7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.304 -6.271 8.417 1.00 0.00 H new ATOM 1338 N LYS A 85 7.042 -6.036 10.881 1.00 0.00 N ATOM 1339 CA LYS A 85 6.825 -6.313 12.290 1.00 0.00 C ATOM 1340 C LYS A 85 5.363 -6.708 12.509 1.00 0.00 C ATOM 1341 O LYS A 85 5.073 -7.627 13.276 1.00 0.00 O ATOM 1342 CB LYS A 85 7.275 -5.126 13.145 1.00 0.00 C ATOM 1343 CG LYS A 85 8.637 -5.398 13.787 1.00 0.00 C ATOM 1344 CD LYS A 85 8.690 -4.848 15.215 1.00 0.00 C ATOM 1345 CE LYS A 85 8.947 -3.340 15.211 1.00 0.00 C ATOM 1346 NZ LYS A 85 10.130 -3.015 16.040 1.00 0.00 N ATOM 0 H LYS A 85 7.209 -5.054 10.660 1.00 0.00 H new ATOM 0 HA LYS A 85 7.435 -7.157 12.610 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.332 -4.230 12.528 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.535 -4.931 13.922 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.830 -6.471 13.799 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.424 -4.940 13.188 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.750 -5.059 15.725 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.477 -5.353 15.774 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.105 -2.994 14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.072 -2.815 15.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.291 -1.988 16.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.965 -3.327 17.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.966 -3.501 15.658 1.00 0.00 H new ATOM 1359 N ALA A 86 4.482 -5.999 11.823 1.00 0.00 N ATOM 1360 CA ALA A 86 3.057 -6.264 11.933 1.00 0.00 C ATOM 1361 C ALA A 86 2.778 -7.705 11.498 1.00 0.00 C ATOM 1362 O ALA A 86 1.855 -8.341 12.005 1.00 0.00 O ATOM 1363 CB ALA A 86 2.282 -5.242 11.099 1.00 0.00 C ATOM 0 H ALA A 86 4.726 -5.240 11.187 1.00 0.00 H new ATOM 0 HA ALA A 86 2.724 -6.160 12.966 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.213 -5.441 11.181 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.494 -4.238 11.466 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.586 -5.319 10.055 1.00 0.00 H new ATOM 1369 N MET A 87 3.590 -8.176 10.564 1.00 0.00 N ATOM 1370 CA MET A 87 3.441 -9.529 10.056 1.00 0.00 C ATOM 1371 C MET A 87 4.616 -10.409 10.486 1.00 0.00 C ATOM 1372 O MET A 87 4.794 -11.510 9.969 1.00 0.00 O ATOM 1373 CB MET A 87 3.360 -9.495 8.528 1.00 0.00 C ATOM 1374 CG MET A 87 2.421 -8.383 8.054 1.00 0.00 C ATOM 1375 SD MET A 87 3.016 -7.697 6.517 1.00 0.00 S ATOM 1376 CE MET A 87 1.641 -8.092 5.449 1.00 0.00 C ATOM 0 H MET A 87 4.354 -7.645 10.145 1.00 0.00 H new ATOM 0 HA MET A 87 2.525 -9.953 10.468 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.355 -9.339 8.111 1.00 0.00 H new ATOM 0 HB3 MET A 87 3.007 -10.457 8.157 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.414 -8.778 7.920 1.00 0.00 H new ATOM 0 HG3 MET A 87 2.358 -7.601 8.811 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.955 -8.014 4.408 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.304 -9.109 5.651 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.824 -7.395 5.635 1.00 0.00 H new ATOM 1386 N ARG A 88 5.390 -9.888 11.428 1.00 0.00 N ATOM 1387 CA ARG A 88 6.543 -10.612 11.933 1.00 0.00 C ATOM 1388 C ARG A 88 7.011 -11.649 10.908 1.00 0.00 C ATOM 1389 O ARG A 88 6.779 -12.844 11.080 1.00 0.00 O ATOM 1390 CB ARG A 88 6.216 -11.320 13.249 1.00 0.00 C ATOM 1391 CG ARG A 88 6.266 -10.342 14.425 1.00 0.00 C ATOM 1392 CD ARG A 88 6.192 -11.085 15.761 1.00 0.00 C ATOM 1393 NE ARG A 88 7.516 -11.651 16.099 1.00 0.00 N ATOM 1394 CZ ARG A 88 7.708 -12.649 16.989 1.00 0.00 C ATOM 1395 NH1 ARG A 88 6.660 -13.201 17.636 1.00 0.00 N ATOM 1396 NH2 ARG A 88 8.936 -13.076 17.215 1.00 0.00 N ATOM 0 H ARG A 88 5.240 -8.973 11.854 1.00 0.00 H new ATOM 0 HA ARG A 88 7.337 -9.887 12.110 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.225 -11.770 13.188 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.925 -12.131 13.416 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.186 -9.760 14.379 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.438 -9.636 14.351 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.867 -10.404 16.548 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.451 -11.882 15.703 1.00 0.00 H new ATOM 0 HE ARG A 88 8.335 -11.264 15.631 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.714 -12.865 17.454 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.814 -13.954 18.306 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.722 -12.653 16.721 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.099 -13.829 17.884 1.00 0.00 H new ATOM 1409 N LEU A 89 7.661 -11.151 9.866 1.00 0.00 N ATOM 1410 CA LEU A 89 8.162 -12.017 8.814 1.00 0.00 C ATOM 1411 C LEU A 89 9.692 -12.011 8.839 1.00 0.00 C ATOM 1412 O LEU A 89 10.299 -11.833 9.894 1.00 0.00 O ATOM 1413 CB LEU A 89 7.568 -11.619 7.462 1.00 0.00 C ATOM 1414 CG LEU A 89 7.089 -12.768 6.575 1.00 0.00 C ATOM 1415 CD1 LEU A 89 6.160 -13.706 7.345 1.00 0.00 C ATOM 1416 CD2 LEU A 89 6.436 -12.239 5.295 1.00 0.00 C ATOM 0 H LEU A 89 7.852 -10.158 9.729 1.00 0.00 H new ATOM 0 HA LEU A 89 7.844 -13.045 8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.727 -10.949 7.640 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.317 -11.050 6.912 1.00 0.00 H new ATOM 0 HG LEU A 89 7.959 -13.352 6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.834 -14.514 6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.692 -14.124 8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.290 -13.150 7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.104 -13.077 4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.579 -11.617 5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.159 -11.645 4.736 1.00 0.00 H new ATOM 1428 N ARG A 90 10.273 -12.207 7.665 1.00 0.00 N ATOM 1429 CA ARG A 90 11.720 -12.226 7.539 1.00 0.00 C ATOM 1430 C ARG A 90 12.138 -11.761 6.142 1.00 0.00 C ATOM 1431 O ARG A 90 13.067 -10.969 6.000 1.00 0.00 O ATOM 1432 CB ARG A 90 12.277 -13.628 7.790 1.00 0.00 C ATOM 1433 CG ARG A 90 11.694 -14.636 6.797 1.00 0.00 C ATOM 1434 CD ARG A 90 11.993 -16.071 7.233 1.00 0.00 C ATOM 1435 NE ARG A 90 10.741 -16.859 7.281 1.00 0.00 N ATOM 1436 CZ ARG A 90 10.693 -18.194 7.464 1.00 0.00 C ATOM 1437 NH1 ARG A 90 11.830 -18.906 7.619 1.00 0.00 N ATOM 1438 NH2 ARG A 90 9.518 -18.796 7.490 1.00 0.00 N ATOM 0 H ARG A 90 9.767 -12.354 6.792 1.00 0.00 H new ATOM 0 HA ARG A 90 12.126 -11.547 8.288 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.363 -13.613 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.044 -13.939 8.808 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.616 -14.493 6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.112 -14.459 5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.695 -16.532 6.538 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.469 -16.070 8.214 1.00 0.00 H new ATOM 0 HE ARG A 90 9.858 -16.360 7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.734 -18.434 7.598 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.785 -19.916 7.757 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.663 -18.252 7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.465 -19.805 7.628 1.00 0.00 H new ATOM 1451 N ILE A 91 11.430 -12.275 5.147 1.00 0.00 N ATOM 1452 CA ILE A 91 11.716 -11.922 3.765 1.00 0.00 C ATOM 1453 C ILE A 91 11.954 -10.414 3.668 1.00 0.00 C ATOM 1454 O ILE A 91 12.669 -9.952 2.779 1.00 0.00 O ATOM 1455 CB ILE A 91 10.606 -12.430 2.843 1.00 0.00 C ATOM 1456 CG1 ILE A 91 9.225 -12.135 3.431 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.790 -13.917 2.531 1.00 0.00 C ATOM 1458 CD1 ILE A 91 8.207 -11.847 2.325 1.00 0.00 C ATOM 0 H ILE A 91 10.660 -12.932 5.269 1.00 0.00 H new ATOM 0 HA ILE A 91 12.629 -12.412 3.427 1.00 0.00 H new ATOM 0 HB ILE A 91 10.675 -11.891 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.890 -12.985 4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.288 -11.280 4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.988 -14.253 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.750 -14.069 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.763 -14.489 3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.234 -11.641 2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.532 -10.982 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.129 -12.713 1.668 1.00 0.00 H new ATOM 1470 N VAL A 92 11.342 -9.689 4.592 1.00 0.00 N ATOM 1471 CA VAL A 92 11.481 -8.243 4.622 1.00 0.00 C ATOM 1472 C VAL A 92 11.825 -7.740 3.219 1.00 0.00 C ATOM 1473 O VAL A 92 12.872 -7.126 3.015 1.00 0.00 O ATOM 1474 CB VAL A 92 12.515 -7.836 5.673 1.00 0.00 C ATOM 1475 CG1 VAL A 92 12.543 -6.318 5.854 1.00 0.00 C ATOM 1476 CG2 VAL A 92 12.249 -8.543 7.004 1.00 0.00 C ATOM 0 H VAL A 92 10.748 -10.076 5.326 1.00 0.00 H new ATOM 0 HA VAL A 92 10.541 -7.776 4.915 1.00 0.00 H new ATOM 0 HB VAL A 92 13.497 -8.149 5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.286 -6.055 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 92 12.801 -5.843 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.561 -5.972 6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.998 -8.237 7.735 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.257 -8.274 7.367 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.303 -9.622 6.860 1.00 0.00 H new ATOM 1486 N PRO A 93 10.902 -8.026 2.262 1.00 0.00 N ATOM 1487 CA PRO A 93 11.098 -7.610 0.884 1.00 0.00 C ATOM 1488 C PRO A 93 10.849 -6.108 0.724 1.00 0.00 C ATOM 1489 O PRO A 93 10.176 -5.496 1.552 1.00 0.00 O ATOM 1490 CB PRO A 93 10.133 -8.462 0.074 1.00 0.00 C ATOM 1491 CG PRO A 93 9.109 -8.987 1.066 1.00 0.00 C ATOM 1492 CD PRO A 93 9.652 -8.752 2.467 1.00 0.00 C ATOM 0 HA PRO A 93 12.122 -7.758 0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.653 -7.873 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.655 -9.282 -0.419 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.155 -8.476 0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.927 -10.049 0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.953 -8.174 3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.822 -9.694 2.989 1.00 0.00 H new ATOM 1500 N GLU A 94 11.403 -5.559 -0.347 1.00 0.00 N ATOM 1501 CA GLU A 94 11.249 -4.142 -0.626 1.00 0.00 C ATOM 1502 C GLU A 94 9.792 -3.823 -0.966 1.00 0.00 C ATOM 1503 O GLU A 94 9.490 -3.392 -2.079 1.00 0.00 O ATOM 1504 CB GLU A 94 12.185 -3.699 -1.753 1.00 0.00 C ATOM 1505 CG GLU A 94 13.028 -2.497 -1.326 1.00 0.00 C ATOM 1506 CD GLU A 94 14.303 -2.395 -2.162 1.00 0.00 C ATOM 1507 OE1 GLU A 94 14.970 -3.412 -2.403 1.00 0.00 O ATOM 1508 OE2 GLU A 94 14.596 -1.206 -2.570 1.00 0.00 O ATOM 0 H GLU A 94 11.959 -6.070 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 94 11.523 -3.584 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.839 -4.525 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.600 -3.442 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.444 -1.583 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.287 -2.587 -0.271 1.00 0.00 H new ATOM 1516 N LEU A 95 8.925 -4.048 0.011 1.00 0.00 N ATOM 1517 CA LEU A 95 7.508 -3.790 -0.173 1.00 0.00 C ATOM 1518 C LEU A 95 7.286 -2.286 -0.343 1.00 0.00 C ATOM 1519 O LEU A 95 7.088 -1.570 0.636 1.00 0.00 O ATOM 1520 CB LEU A 95 6.699 -4.406 0.971 1.00 0.00 C ATOM 1521 CG LEU A 95 6.574 -3.557 2.237 1.00 0.00 C ATOM 1522 CD1 LEU A 95 5.332 -2.665 2.179 1.00 0.00 C ATOM 1523 CD2 LEU A 95 6.591 -4.433 3.489 1.00 0.00 C ATOM 0 H LEU A 95 9.177 -4.406 0.932 1.00 0.00 H new ATOM 0 HA LEU A 95 7.148 -4.270 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.696 -4.625 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.155 -5.359 1.240 1.00 0.00 H new ATOM 0 HG LEU A 95 7.441 -2.899 2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.267 -2.072 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.401 -2.000 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.442 -3.287 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.501 -3.804 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.756 -5.133 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.528 -4.988 3.532 1.00 0.00 H new ATOM 1535 N THR A 96 7.324 -1.854 -1.595 1.00 0.00 N ATOM 1536 CA THR A 96 7.129 -0.447 -1.906 1.00 0.00 C ATOM 1537 C THR A 96 5.642 -0.146 -2.097 1.00 0.00 C ATOM 1538 O THR A 96 4.850 -1.048 -2.365 1.00 0.00 O ATOM 1539 CB THR A 96 7.979 -0.113 -3.134 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.336 1.254 -2.946 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.164 -0.110 -4.428 1.00 0.00 C ATOM 0 H THR A 96 7.487 -2.452 -2.405 1.00 0.00 H new ATOM 0 HA THR A 96 7.455 0.190 -1.084 1.00 0.00 H new ATOM 0 HB THR A 96 8.792 -0.834 -3.220 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.890 1.554 -3.697 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.815 0.133 -5.268 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.724 -1.095 -4.583 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.371 0.635 -4.357 1.00 0.00 H new ATOM 1549 N PHE A 97 5.306 1.128 -1.952 1.00 0.00 N ATOM 1550 CA PHE A 97 3.927 1.562 -2.105 1.00 0.00 C ATOM 1551 C PHE A 97 3.815 2.674 -3.149 1.00 0.00 C ATOM 1552 O PHE A 97 4.327 3.774 -2.948 1.00 0.00 O ATOM 1553 CB PHE A 97 3.476 2.105 -0.748 1.00 0.00 C ATOM 1554 CG PHE A 97 4.217 3.369 -0.307 1.00 0.00 C ATOM 1555 CD1 PHE A 97 5.510 3.291 0.104 1.00 0.00 C ATOM 1556 CD2 PHE A 97 3.579 4.571 -0.325 1.00 0.00 C ATOM 1557 CE1 PHE A 97 6.197 4.464 0.514 1.00 0.00 C ATOM 1558 CE2 PHE A 97 4.266 5.745 0.085 1.00 0.00 C ATOM 1559 CZ PHE A 97 5.560 5.666 0.496 1.00 0.00 C ATOM 0 H PHE A 97 5.965 1.874 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 97 3.309 0.727 -2.435 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.408 2.318 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.617 1.331 0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 97 6.015 2.337 0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.551 4.632 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.225 4.402 0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.761 6.700 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 97 6.082 6.558 0.808 1.00 0.00 H new ATOM 1569 N PHE A 98 3.141 2.348 -4.244 1.00 0.00 N ATOM 1570 CA PHE A 98 2.955 3.307 -5.320 1.00 0.00 C ATOM 1571 C PHE A 98 1.681 4.127 -5.109 1.00 0.00 C ATOM 1572 O PHE A 98 0.577 3.587 -5.146 1.00 0.00 O ATOM 1573 CB PHE A 98 2.822 2.504 -6.616 1.00 0.00 C ATOM 1574 CG PHE A 98 4.016 2.647 -7.562 1.00 0.00 C ATOM 1575 CD1 PHE A 98 4.041 3.654 -8.476 1.00 0.00 C ATOM 1576 CD2 PHE A 98 5.051 1.769 -7.489 1.00 0.00 C ATOM 1577 CE1 PHE A 98 5.149 3.787 -9.355 1.00 0.00 C ATOM 1578 CE2 PHE A 98 6.159 1.902 -8.368 1.00 0.00 C ATOM 1579 CZ PHE A 98 6.184 2.907 -9.283 1.00 0.00 C ATOM 0 H PHE A 98 2.718 1.435 -4.408 1.00 0.00 H new ATOM 0 HA PHE A 98 3.798 3.997 -5.354 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.693 1.451 -6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.919 2.821 -7.137 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.219 4.352 -8.533 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.031 0.970 -6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.170 4.587 -10.080 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.982 1.205 -8.309 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.025 3.007 -9.953 1.00 0.00 H new ATOM 1589 N TYR A 99 1.877 5.420 -4.893 1.00 0.00 N ATOM 1590 CA TYR A 99 0.757 6.320 -4.676 1.00 0.00 C ATOM 1591 C TYR A 99 0.210 6.845 -6.006 1.00 0.00 C ATOM 1592 O TYR A 99 0.792 7.746 -6.607 1.00 0.00 O ATOM 1593 CB TYR A 99 1.311 7.495 -3.867 1.00 0.00 C ATOM 1594 CG TYR A 99 2.837 7.513 -3.761 1.00 0.00 C ATOM 1595 CD1 TYR A 99 3.596 7.983 -4.814 1.00 0.00 C ATOM 1596 CD2 TYR A 99 3.455 7.058 -2.614 1.00 0.00 C ATOM 1597 CE1 TYR A 99 5.033 8.000 -4.714 1.00 0.00 C ATOM 1598 CE2 TYR A 99 4.891 7.076 -2.514 1.00 0.00 C ATOM 1599 CZ TYR A 99 5.609 7.546 -3.570 1.00 0.00 C ATOM 1600 OH TYR A 99 6.965 7.562 -3.475 1.00 0.00 O ATOM 0 H TYR A 99 2.794 5.865 -4.864 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.055 5.805 -4.163 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.978 8.427 -4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.888 7.463 -2.863 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.113 8.338 -5.712 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.861 6.688 -1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.639 8.365 -5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.387 6.725 -1.621 1.00 0.00 H new ATOM 0 HH TYR A 99 7.236 7.210 -2.602 1.00 0.00 H new ATOM 1610 N ASP A 100 -0.902 6.259 -6.424 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.533 6.656 -7.670 1.00 0.00 C ATOM 1612 C ASP A 100 -2.811 7.441 -7.362 1.00 0.00 C ATOM 1613 O ASP A 100 -3.894 6.864 -7.283 1.00 0.00 O ATOM 1614 CB ASP A 100 -1.920 5.433 -8.506 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.773 5.611 -10.018 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -2.763 5.574 -10.766 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -0.565 5.798 -10.431 1.00 0.00 O ATOM 0 H ASP A 100 -1.382 5.512 -5.922 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.822 7.265 -8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.306 4.589 -8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.955 5.173 -8.285 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.641 8.744 -7.197 1.00 0.00 N ATOM 1624 CA ASN A 101 -3.766 9.615 -6.901 1.00 0.00 C ATOM 1625 C ASN A 101 -4.386 10.105 -8.211 1.00 0.00 C ATOM 1626 O ASN A 101 -4.016 9.641 -9.288 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.318 10.839 -6.100 1.00 0.00 C ATOM 1628 CG ASN A 101 -2.172 11.566 -6.806 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -2.163 11.742 -8.013 1.00 0.00 O ATOM 1630 ND2 ASN A 101 -1.207 11.977 -5.988 1.00 0.00 N ATOM 0 H ASN A 101 -1.740 9.218 -7.263 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.488 9.046 -6.315 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.159 11.520 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.999 10.530 -5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.398 12.472 -6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.276 11.797 -4.986 1.00 0.00 H new ATOM 1637 N SER A 102 -5.319 11.036 -8.074 1.00 0.00 N ATOM 1638 CA SER A 102 -5.992 11.594 -9.234 1.00 0.00 C ATOM 1639 C SER A 102 -5.223 12.812 -9.750 1.00 0.00 C ATOM 1640 O SER A 102 -5.743 13.583 -10.557 1.00 0.00 O ATOM 1641 CB SER A 102 -7.434 11.981 -8.898 1.00 0.00 C ATOM 1642 OG SER A 102 -7.751 11.730 -7.532 1.00 0.00 O ATOM 0 H SER A 102 -5.624 11.417 -7.179 1.00 0.00 H new ATOM 0 HA SER A 102 -6.019 10.833 -10.014 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.586 13.038 -9.117 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.117 11.422 -9.537 1.00 0.00 H new ATOM 0 HG SER A 102 -8.679 11.992 -7.358 1.00 0.00 H new ATOM 1648 N LEU A 103 -3.997 12.948 -9.265 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.151 14.058 -9.669 1.00 0.00 C ATOM 1650 C LEU A 103 -2.227 13.604 -10.800 1.00 0.00 C ATOM 1651 O LEU A 103 -1.379 14.369 -11.258 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.409 14.632 -8.460 1.00 0.00 C ATOM 1653 CG LEU A 103 -1.804 16.025 -8.646 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.735 17.104 -8.088 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.405 16.101 -8.030 1.00 0.00 C ATOM 0 H LEU A 103 -3.570 12.308 -8.596 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.755 14.876 -10.061 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.100 14.667 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.609 13.943 -8.188 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.696 16.212 -9.714 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.283 18.085 -8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.691 17.065 -8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.895 16.931 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.003 17.101 -8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.465 15.885 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.245 15.370 -8.512 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.421 12.362 -11.218 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.615 11.797 -12.286 1.00 0.00 C ATOM 1669 C VAL A 104 -2.520 11.026 -13.249 1.00 0.00 C ATOM 1670 O VAL A 104 -2.036 10.300 -14.115 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.496 10.935 -11.698 1.00 0.00 C ATOM 1672 CG1 VAL A 104 0.034 9.943 -12.735 1.00 0.00 C ATOM 1673 CG2 VAL A 104 0.634 11.806 -11.145 1.00 0.00 C ATOM 0 H VAL A 104 -3.125 11.731 -10.836 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.131 12.588 -12.858 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.914 10.363 -10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.828 9.343 -12.291 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.776 9.290 -13.061 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.427 10.489 -13.593 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.416 11.169 -10.733 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.048 12.417 -11.947 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.243 12.454 -10.360 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.819 11.209 -13.065 1.00 0.00 N ATOM 1684 CA GLU A 105 -4.796 10.540 -13.906 1.00 0.00 C ATOM 1685 C GLU A 105 -6.128 11.291 -13.874 1.00 0.00 C ATOM 1686 O GLU A 105 -6.802 11.411 -14.895 1.00 0.00 O ATOM 1687 CB GLU A 105 -4.980 9.082 -13.479 1.00 0.00 C ATOM 1688 CG GLU A 105 -4.157 8.143 -14.365 1.00 0.00 C ATOM 1689 CD GLU A 105 -2.816 7.806 -13.710 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -1.844 7.491 -14.413 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -2.804 7.882 -12.421 1.00 0.00 O ATOM 0 H GLU A 105 -4.218 11.812 -12.345 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.425 10.541 -14.931 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.678 8.963 -12.438 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.034 8.812 -13.538 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -4.717 7.226 -14.548 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.985 8.610 -15.335 1.00 0.00 H new ATOM 1699 N GLY A 106 -6.468 11.779 -12.689 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.707 12.517 -12.510 1.00 0.00 C ATOM 1701 C GLY A 106 -8.874 11.568 -12.233 1.00 0.00 C ATOM 1702 O GLY A 106 -9.924 11.993 -11.753 1.00 0.00 O ATOM 0 H GLY A 106 -5.906 11.677 -11.844 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.600 13.219 -11.683 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.916 13.106 -13.403 1.00 0.00 H new ATOM 1706 N MET A 107 -8.651 10.300 -12.545 1.00 0.00 N ATOM 1707 CA MET A 107 -9.672 9.286 -12.334 1.00 0.00 C ATOM 1708 C MET A 107 -9.245 8.297 -11.248 1.00 0.00 C ATOM 1709 O MET A 107 -9.708 7.156 -11.226 1.00 0.00 O ATOM 1710 CB MET A 107 -9.923 8.535 -13.642 1.00 0.00 C ATOM 1711 CG MET A 107 -8.915 7.397 -13.822 1.00 0.00 C ATOM 1712 SD MET A 107 -8.381 7.319 -15.522 1.00 0.00 S ATOM 1713 CE MET A 107 -7.259 8.709 -15.558 1.00 0.00 C ATOM 0 H MET A 107 -7.779 9.951 -12.942 1.00 0.00 H new ATOM 0 HA MET A 107 -10.588 9.780 -12.008 1.00 0.00 H new ATOM 0 HB2 MET A 107 -10.936 8.133 -13.646 1.00 0.00 H new ATOM 0 HB3 MET A 107 -9.851 9.226 -14.482 1.00 0.00 H new ATOM 0 HG2 MET A 107 -8.056 7.554 -13.169 1.00 0.00 H new ATOM 0 HG3 MET A 107 -9.368 6.449 -13.531 1.00 0.00 H new ATOM 0 HE1 MET A 107 -7.602 9.434 -16.296 1.00 0.00 H new ATOM 0 HE2 MET A 107 -7.229 9.178 -14.575 1.00 0.00 H new ATOM 0 HE3 MET A 107 -6.260 8.364 -15.826 1.00 0.00 H new ATOM 1723 N ARG A 108 -8.368 8.767 -10.375 1.00 0.00 N ATOM 1724 CA ARG A 108 -7.873 7.937 -9.289 1.00 0.00 C ATOM 1725 C ARG A 108 -8.418 8.435 -7.949 1.00 0.00 C ATOM 1726 O ARG A 108 -9.070 7.687 -7.223 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.343 7.942 -9.245 1.00 0.00 C ATOM 1728 CG ARG A 108 -5.772 6.662 -9.858 1.00 0.00 C ATOM 1729 CD ARG A 108 -5.622 6.802 -11.375 1.00 0.00 C ATOM 1730 NE ARG A 108 -6.267 5.656 -12.054 1.00 0.00 N ATOM 1731 CZ ARG A 108 -5.898 4.369 -11.884 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -4.883 4.051 -11.051 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -6.544 3.425 -12.543 1.00 0.00 N ATOM 0 H ARG A 108 -7.986 9.713 -10.397 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.216 6.918 -9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.963 8.809 -9.785 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.006 8.037 -8.213 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.802 6.441 -9.412 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.427 5.821 -9.629 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.075 7.735 -11.709 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.566 6.847 -11.642 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.039 5.851 -12.691 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.389 4.786 -10.545 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.610 3.076 -10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.310 3.673 -13.170 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.277 2.447 -12.426 1.00 0.00 H new TER 1746 ARG A 108