USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 634 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 13 CYS SG : rot 147:sc= 0.1 USER MOD Set 1.2: A 56 CYS SG : rot 108:sc= 0.398 USER MOD Set 1.3: A 58 SER OG : rot 180:sc= 0.287 USER MOD Set 1.4: A 59 CYS SG : rot 98:sc= 2.11 USER MOD Set 2.1: A 19 SER OG : rot 135:sc= 1.45 USER MOD Set 2.2: A 57 THR OG1 : rot 112:sc= 1.26 USER MOD Single : A 1 GLN : amide:sc= -0.652 K(o=-0.65,f=0) USER MOD Single : A 1 GLN N :NH3+ 133:sc= 0.0233 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 19:sc= -3.4! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot -140:sc= -1.87! USER MOD Single : A 24 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 25 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.62) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 110:sc= 0.181 USER MOD Single : A 37 ASN : amide:sc= -0.0635 X(o=-0.064,f=0) USER MOD Single : A 39 GLN : amide:sc= -2.78! K(o=-2.8!,f=-0.59) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= 0.0351 (180deg=-0.0387) USER MOD Single : A 53 MET CE :methyl 162:sc= -0.0525 (180deg=-0.608) USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= -0.0339 (180deg=-0.218) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= -0.0529 (180deg=-0.242) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.247 K(o=-0.25,f=-0.9) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -12.422 17.017 -13.846 1.00 0.00 N ATOM 2 CA GLN A 1 -13.231 16.392 -12.778 1.00 0.00 C ATOM 3 C GLN A 1 -14.581 15.936 -13.327 1.00 0.00 C ATOM 4 O GLN A 1 -15.167 16.597 -14.187 1.00 0.00 O ATOM 5 CB GLN A 1 -13.447 17.379 -11.630 1.00 0.00 C ATOM 6 CG GLN A 1 -14.155 16.771 -10.431 1.00 0.00 C ATOM 7 CD GLN A 1 -14.486 17.785 -9.352 1.00 0.00 C ATOM 8 OE1 GLN A 1 -15.472 17.633 -8.633 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.676 18.825 -9.229 1.00 0.00 N ATOM 0 H1 GLN A 1 -12.019 17.911 -13.499 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.652 16.374 -14.120 1.00 0.00 H new ATOM 0 H3 GLN A 1 -13.025 17.207 -14.672 1.00 0.00 H new ATOM 0 HA GLN A 1 -12.691 15.522 -12.404 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -12.481 17.770 -11.311 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -14.029 18.226 -11.994 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -15.076 16.293 -10.765 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -13.527 15.989 -10.005 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -12.867 18.917 -9.844 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -13.861 19.534 -8.519 1.00 0.00 H new ATOM 20 N GLY A 2 -15.068 14.804 -12.833 1.00 0.00 N ATOM 21 CA GLY A 2 -16.360 14.308 -13.260 1.00 0.00 C ATOM 22 C GLY A 2 -16.473 12.808 -13.117 1.00 0.00 C ATOM 23 O GLY A 2 -16.065 12.059 -14.007 1.00 0.00 O ATOM 0 H GLY A 2 -14.591 14.222 -12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -17.143 14.787 -12.672 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -16.528 14.585 -14.301 1.00 0.00 H new ATOM 27 N HIS A 3 -17.003 12.361 -11.990 1.00 0.00 N ATOM 28 CA HIS A 3 -17.193 10.937 -11.752 1.00 0.00 C ATOM 29 C HIS A 3 -18.661 10.557 -11.912 1.00 0.00 C ATOM 30 O HIS A 3 -19.540 11.162 -11.300 1.00 0.00 O ATOM 31 CB HIS A 3 -16.693 10.546 -10.357 1.00 0.00 C ATOM 32 CG HIS A 3 -15.215 10.738 -10.175 1.00 0.00 C ATOM 33 ND1 HIS A 3 -14.658 11.327 -9.062 1.00 0.00 N ATOM 34 CD2 HIS A 3 -14.177 10.410 -10.981 1.00 0.00 C ATOM 35 CE1 HIS A 3 -13.345 11.356 -9.191 1.00 0.00 C ATOM 36 NE2 HIS A 3 -13.025 10.806 -10.349 1.00 0.00 N ATOM 0 H HIS A 3 -17.310 12.962 -11.225 1.00 0.00 H new ATOM 0 HA HIS A 3 -16.609 10.391 -12.493 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -17.223 11.138 -9.611 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -16.941 9.501 -10.170 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.244 9.926 -11.944 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -12.649 11.761 -8.471 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -12.079 10.694 -10.713 1.00 0.00 H new ATOM 45 N MET A 4 -18.917 9.554 -12.740 1.00 0.00 N ATOM 46 CA MET A 4 -20.281 9.095 -12.994 1.00 0.00 C ATOM 47 C MET A 4 -20.659 7.961 -12.046 1.00 0.00 C ATOM 48 O MET A 4 -21.837 7.740 -11.758 1.00 0.00 O ATOM 49 CB MET A 4 -20.428 8.624 -14.444 1.00 0.00 C ATOM 50 CG MET A 4 -20.274 9.728 -15.477 1.00 0.00 C ATOM 51 SD MET A 4 -21.557 10.985 -15.341 1.00 0.00 S ATOM 52 CE MET A 4 -21.098 12.073 -16.689 1.00 0.00 C ATOM 0 H MET A 4 -18.198 9.040 -13.250 1.00 0.00 H new ATOM 0 HA MET A 4 -20.953 9.935 -12.821 1.00 0.00 H new ATOM 0 HB2 MET A 4 -19.684 7.852 -14.640 1.00 0.00 H new ATOM 0 HB3 MET A 4 -21.407 8.162 -14.566 1.00 0.00 H new ATOM 0 HG2 MET A 4 -19.297 10.197 -15.360 1.00 0.00 H new ATOM 0 HG3 MET A 4 -20.301 9.293 -16.476 1.00 0.00 H new ATOM 0 HE1 MET A 4 -21.799 12.906 -16.739 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.091 12.455 -16.521 1.00 0.00 H new ATOM 0 HE3 MET A 4 -21.125 11.520 -17.628 1.00 0.00 H new ATOM 62 N ILE A 5 -19.656 7.244 -11.570 1.00 0.00 N ATOM 63 CA ILE A 5 -19.873 6.110 -10.681 1.00 0.00 C ATOM 64 C ILE A 5 -18.572 5.733 -9.981 1.00 0.00 C ATOM 65 O ILE A 5 -17.491 5.871 -10.555 1.00 0.00 O ATOM 66 CB ILE A 5 -20.420 4.881 -11.458 1.00 0.00 C ATOM 67 CG1 ILE A 5 -20.638 3.686 -10.521 1.00 0.00 C ATOM 68 CG2 ILE A 5 -19.486 4.500 -12.598 1.00 0.00 C ATOM 69 CD1 ILE A 5 -21.236 2.477 -11.209 1.00 0.00 C ATOM 0 H ILE A 5 -18.676 7.427 -11.785 1.00 0.00 H new ATOM 0 HA ILE A 5 -20.614 6.407 -9.939 1.00 0.00 H new ATOM 0 HB ILE A 5 -21.385 5.160 -11.882 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -19.683 3.405 -10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -21.293 3.990 -9.705 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -19.891 3.637 -13.127 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -19.394 5.338 -13.289 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -18.504 4.251 -12.196 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -21.362 1.672 -10.485 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -22.206 2.741 -11.630 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -20.571 2.147 -12.007 1.00 0.00 H new ATOM 81 N MET A 6 -18.672 5.288 -8.740 1.00 0.00 N ATOM 82 CA MET A 6 -17.505 4.795 -8.022 1.00 0.00 C ATOM 83 C MET A 6 -17.682 3.316 -7.673 1.00 0.00 C ATOM 84 O MET A 6 -18.097 2.959 -6.570 1.00 0.00 O ATOM 85 CB MET A 6 -17.213 5.633 -6.767 1.00 0.00 C ATOM 86 CG MET A 6 -18.382 5.757 -5.805 1.00 0.00 C ATOM 87 SD MET A 6 -17.967 6.709 -4.333 1.00 0.00 S ATOM 88 CE MET A 6 -19.482 6.539 -3.396 1.00 0.00 C ATOM 0 H MET A 6 -19.543 5.257 -8.210 1.00 0.00 H new ATOM 0 HA MET A 6 -16.640 4.894 -8.678 1.00 0.00 H new ATOM 0 HB2 MET A 6 -16.369 5.190 -6.238 1.00 0.00 H new ATOM 0 HB3 MET A 6 -16.906 6.632 -7.076 1.00 0.00 H new ATOM 0 HG2 MET A 6 -19.220 6.231 -6.316 1.00 0.00 H new ATOM 0 HG3 MET A 6 -18.712 4.761 -5.509 1.00 0.00 H new ATOM 0 HE1 MET A 6 -19.388 7.075 -2.451 1.00 0.00 H new ATOM 0 HE2 MET A 6 -20.312 6.954 -3.968 1.00 0.00 H new ATOM 0 HE3 MET A 6 -19.670 5.484 -3.197 1.00 0.00 H new ATOM 98 N ALA A 7 -17.399 2.460 -8.642 1.00 0.00 N ATOM 99 CA ALA A 7 -17.516 1.021 -8.453 1.00 0.00 C ATOM 100 C ALA A 7 -16.267 0.467 -7.782 1.00 0.00 C ATOM 101 O ALA A 7 -15.313 0.074 -8.455 1.00 0.00 O ATOM 102 CB ALA A 7 -17.765 0.322 -9.782 1.00 0.00 C ATOM 0 H ALA A 7 -17.085 2.738 -9.572 1.00 0.00 H new ATOM 0 HA ALA A 7 -18.369 0.830 -7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -17.849 -0.752 -9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -18.690 0.695 -10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -16.935 0.522 -10.459 1.00 0.00 H new ATOM 108 N LYS A 8 -16.286 0.466 -6.449 1.00 0.00 N ATOM 109 CA LYS A 8 -15.157 0.004 -5.648 1.00 0.00 C ATOM 110 C LYS A 8 -13.929 0.874 -5.903 1.00 0.00 C ATOM 111 O LYS A 8 -13.077 0.554 -6.731 1.00 0.00 O ATOM 112 CB LYS A 8 -14.863 -1.473 -5.929 1.00 0.00 C ATOM 113 CG LYS A 8 -15.997 -2.395 -5.492 1.00 0.00 C ATOM 114 CD LYS A 8 -15.890 -3.775 -6.122 1.00 0.00 C ATOM 115 CE LYS A 8 -15.996 -3.703 -7.635 1.00 0.00 C ATOM 116 NZ LYS A 8 -16.258 -5.035 -8.234 1.00 0.00 N ATOM 0 H LYS A 8 -17.083 0.785 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.418 0.095 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.683 -1.606 -6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.947 -1.761 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.987 -2.491 -4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.953 -1.947 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.940 -4.231 -5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.679 -4.417 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.797 -3.017 -7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.072 -3.296 -8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.324 -4.944 -9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.481 -5.683 -7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.153 -5.413 -7.862 1.00 0.00 H new ATOM 130 N ARG A 9 -13.862 1.987 -5.192 1.00 0.00 N ATOM 131 CA ARG A 9 -12.811 2.973 -5.391 1.00 0.00 C ATOM 132 C ARG A 9 -11.759 2.868 -4.299 1.00 0.00 C ATOM 133 O ARG A 9 -11.926 2.134 -3.325 1.00 0.00 O ATOM 134 CB ARG A 9 -13.404 4.385 -5.371 1.00 0.00 C ATOM 135 CG ARG A 9 -14.194 4.676 -4.101 1.00 0.00 C ATOM 136 CD ARG A 9 -13.875 6.043 -3.512 1.00 0.00 C ATOM 137 NE ARG A 9 -14.308 7.140 -4.370 1.00 0.00 N ATOM 138 CZ ARG A 9 -14.481 8.389 -3.941 1.00 0.00 C ATOM 139 NH1 ARG A 9 -14.265 8.698 -2.665 1.00 0.00 N ATOM 140 NH2 ARG A 9 -14.869 9.328 -4.792 1.00 0.00 N ATOM 0 H ARG A 9 -14.532 2.233 -4.463 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.346 2.778 -6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.599 5.114 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.055 4.513 -6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.260 4.619 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.979 3.906 -3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.357 6.136 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.801 6.120 -3.344 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.488 6.939 -5.354 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.965 7.977 -2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.399 9.656 -2.343 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.034 9.093 -5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.003 10.286 -4.468 1.00 0.00 H new ATOM 154 N CYS A 10 -10.673 3.603 -4.471 1.00 0.00 N ATOM 155 CA CYS A 10 -9.701 3.768 -3.408 1.00 0.00 C ATOM 156 C CYS A 10 -10.318 4.623 -2.317 1.00 0.00 C ATOM 157 O CYS A 10 -10.863 5.691 -2.599 1.00 0.00 O ATOM 158 CB CYS A 10 -8.421 4.431 -3.926 1.00 0.00 C ATOM 159 SG CYS A 10 -7.161 4.686 -2.654 1.00 0.00 S ATOM 0 H CYS A 10 -10.444 4.093 -5.336 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.433 2.787 -3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.001 3.815 -4.721 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -8.676 5.394 -4.369 1.00 0.00 H new ATOM 0 HG CYS A 10 -7.403 3.908 -1.641 1.00 0.00 H new ATOM 165 N GLU A 11 -10.212 4.169 -1.076 1.00 0.00 N ATOM 166 CA GLU A 11 -10.861 4.854 0.044 1.00 0.00 C ATOM 167 C GLU A 11 -10.210 6.209 0.310 1.00 0.00 C ATOM 168 O GLU A 11 -10.776 7.057 1.001 1.00 0.00 O ATOM 169 CB GLU A 11 -10.825 3.994 1.314 1.00 0.00 C ATOM 170 CG GLU A 11 -11.682 2.739 1.231 1.00 0.00 C ATOM 171 CD GLU A 11 -11.758 1.983 2.546 1.00 0.00 C ATOM 172 OE1 GLU A 11 -12.662 2.280 3.359 1.00 0.00 O ATOM 173 OE2 GLU A 11 -10.923 1.080 2.774 1.00 0.00 O ATOM 0 H GLU A 11 -9.687 3.334 -0.815 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.902 5.018 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.794 3.706 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.160 4.596 2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.689 3.014 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.278 2.080 0.463 1.00 0.00 H new ATOM 180 N VAL A 12 -9.028 6.413 -0.253 1.00 0.00 N ATOM 181 CA VAL A 12 -8.289 7.652 -0.059 1.00 0.00 C ATOM 182 C VAL A 12 -8.527 8.633 -1.208 1.00 0.00 C ATOM 183 O VAL A 12 -9.201 9.648 -1.042 1.00 0.00 O ATOM 184 CB VAL A 12 -6.777 7.378 0.064 1.00 0.00 C ATOM 185 CG1 VAL A 12 -6.019 8.664 0.361 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.505 6.331 1.136 1.00 0.00 C ATOM 0 H VAL A 12 -8.558 5.733 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.654 8.098 0.866 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.423 6.988 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.954 8.448 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.183 9.378 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.377 9.089 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.432 6.153 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.877 6.688 2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.011 5.402 0.874 1.00 0.00 H new ATOM 196 N CYS A 13 -7.979 8.312 -2.376 1.00 0.00 N ATOM 197 CA CYS A 13 -7.991 9.231 -3.511 1.00 0.00 C ATOM 198 C CYS A 13 -9.312 9.173 -4.278 1.00 0.00 C ATOM 199 O CYS A 13 -9.772 10.176 -4.813 1.00 0.00 O ATOM 200 CB CYS A 13 -6.834 8.897 -4.454 1.00 0.00 C ATOM 201 SG CYS A 13 -5.255 8.634 -3.621 1.00 0.00 S ATOM 0 H CYS A 13 -7.520 7.420 -2.562 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.877 10.243 -3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.088 8.000 -5.019 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.722 9.707 -5.175 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.569 7.737 -4.265 1.00 0.00 H new ATOM 207 N GLY A 14 -9.921 7.997 -4.320 1.00 0.00 N ATOM 208 CA GLY A 14 -11.120 7.822 -5.118 1.00 0.00 C ATOM 209 C GLY A 14 -10.814 7.252 -6.491 1.00 0.00 C ATOM 210 O GLY A 14 -11.675 7.227 -7.369 1.00 0.00 O ATOM 0 H GLY A 14 -9.610 7.165 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.809 7.158 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.625 8.782 -5.229 1.00 0.00 H new ATOM 214 N LYS A 15 -9.577 6.801 -6.674 1.00 0.00 N ATOM 215 CA LYS A 15 -9.143 6.189 -7.928 1.00 0.00 C ATOM 216 C LYS A 15 -9.703 4.777 -8.069 1.00 0.00 C ATOM 217 O LYS A 15 -10.126 4.169 -7.086 1.00 0.00 O ATOM 218 CB LYS A 15 -7.613 6.143 -7.986 1.00 0.00 C ATOM 219 CG LYS A 15 -6.959 7.463 -8.371 1.00 0.00 C ATOM 220 CD LYS A 15 -6.972 7.662 -9.878 1.00 0.00 C ATOM 221 CE LYS A 15 -6.238 8.930 -10.285 1.00 0.00 C ATOM 222 NZ LYS A 15 -6.047 9.014 -11.757 1.00 0.00 N ATOM 0 H LYS A 15 -8.849 6.848 -5.961 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.521 6.796 -8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.234 5.834 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.311 5.379 -8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.484 8.287 -7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.932 7.483 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.509 6.802 -10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.003 7.709 -10.230 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.799 9.800 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.267 8.961 -9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.543 9.893 -11.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.490 8.198 -12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.974 9.010 -12.228 1.00 0.00 H new ATOM 236 N ALA A 16 -9.688 4.262 -9.292 1.00 0.00 N ATOM 237 CA ALA A 16 -10.176 2.916 -9.569 1.00 0.00 C ATOM 238 C ALA A 16 -9.059 1.889 -9.378 1.00 0.00 C ATOM 239 O ALA A 16 -7.880 2.209 -9.547 1.00 0.00 O ATOM 240 CB ALA A 16 -10.733 2.848 -10.987 1.00 0.00 C ATOM 0 H ALA A 16 -9.341 4.759 -10.112 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.975 2.680 -8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.096 1.840 -11.187 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.555 3.557 -11.089 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.947 3.099 -11.699 1.00 0.00 H new ATOM 246 N PRO A 17 -9.410 0.648 -9.008 1.00 0.00 N ATOM 247 CA PRO A 17 -8.434 -0.409 -8.765 1.00 0.00 C ATOM 248 C PRO A 17 -7.976 -1.111 -10.047 1.00 0.00 C ATOM 249 O PRO A 17 -8.764 -1.761 -10.738 1.00 0.00 O ATOM 250 CB PRO A 17 -9.200 -1.371 -7.860 1.00 0.00 C ATOM 251 CG PRO A 17 -10.626 -1.238 -8.284 1.00 0.00 C ATOM 252 CD PRO A 17 -10.795 0.177 -8.785 1.00 0.00 C ATOM 0 HA PRO A 17 -7.512 -0.024 -8.330 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.845 -2.395 -7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.074 -1.111 -6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.867 -1.958 -9.066 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -11.299 -1.437 -7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.379 0.207 -9.705 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.315 0.799 -8.056 1.00 0.00 H new ATOM 260 N ARG A 18 -6.699 -0.965 -10.359 1.00 0.00 N ATOM 261 CA ARG A 18 -6.098 -1.646 -11.498 1.00 0.00 C ATOM 262 C ARG A 18 -4.753 -2.230 -11.100 1.00 0.00 C ATOM 263 O ARG A 18 -3.799 -1.496 -10.826 1.00 0.00 O ATOM 264 CB ARG A 18 -5.943 -0.691 -12.687 1.00 0.00 C ATOM 265 CG ARG A 18 -5.469 0.700 -12.304 1.00 0.00 C ATOM 266 CD ARG A 18 -5.070 1.500 -13.531 1.00 0.00 C ATOM 267 NE ARG A 18 -6.045 1.364 -14.615 1.00 0.00 N ATOM 268 CZ ARG A 18 -5.966 2.020 -15.769 1.00 0.00 C ATOM 269 NH1 ARG A 18 -5.003 2.918 -15.963 1.00 0.00 N ATOM 270 NH2 ARG A 18 -6.849 1.777 -16.727 1.00 0.00 N ATOM 0 H ARG A 18 -6.052 -0.376 -9.835 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.757 -2.457 -11.806 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.236 -1.122 -13.396 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.901 -0.609 -13.201 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.261 1.222 -11.768 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.620 0.624 -11.624 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.971 2.552 -13.262 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.092 1.167 -13.879 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.831 0.729 -14.477 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.323 3.104 -15.226 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.945 3.420 -16.849 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.587 1.088 -16.578 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.791 2.279 -17.613 1.00 0.00 H new ATOM 284 N SER A 19 -4.686 -3.550 -11.045 1.00 0.00 N ATOM 285 CA SER A 19 -3.488 -4.230 -10.581 1.00 0.00 C ATOM 286 C SER A 19 -3.250 -5.523 -11.361 1.00 0.00 C ATOM 287 O SER A 19 -2.120 -6.006 -11.468 1.00 0.00 O ATOM 288 CB SER A 19 -3.630 -4.546 -9.087 1.00 0.00 C ATOM 289 OG SER A 19 -4.086 -3.414 -8.355 1.00 0.00 O ATOM 0 H SER A 19 -5.447 -4.172 -11.316 1.00 0.00 H new ATOM 0 HA SER A 19 -2.633 -3.574 -10.744 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.328 -5.372 -8.954 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.669 -4.874 -8.691 1.00 0.00 H new ATOM 0 HG SER A 19 -4.796 -3.688 -7.738 1.00 0.00 H new ATOM 295 N GLY A 20 -4.318 -6.074 -11.922 1.00 0.00 N ATOM 296 CA GLY A 20 -4.248 -7.396 -12.504 1.00 0.00 C ATOM 297 C GLY A 20 -4.469 -8.453 -11.446 1.00 0.00 C ATOM 298 O GLY A 20 -5.533 -9.065 -11.377 1.00 0.00 O ATOM 0 H GLY A 20 -5.233 -5.627 -11.984 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.999 -7.495 -13.288 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.276 -7.542 -12.974 1.00 0.00 H new ATOM 302 N ASN A 21 -3.466 -8.649 -10.607 1.00 0.00 N ATOM 303 CA ASN A 21 -3.598 -9.477 -9.418 1.00 0.00 C ATOM 304 C ASN A 21 -2.887 -8.801 -8.256 1.00 0.00 C ATOM 305 O ASN A 21 -3.533 -8.255 -7.360 1.00 0.00 O ATOM 306 CB ASN A 21 -3.020 -10.884 -9.637 1.00 0.00 C ATOM 307 CG ASN A 21 -3.774 -11.686 -10.682 1.00 0.00 C ATOM 308 OD1 ASN A 21 -4.794 -12.310 -10.390 1.00 0.00 O ATOM 309 ND2 ASN A 21 -3.263 -11.693 -11.905 1.00 0.00 N ATOM 0 H ASN A 21 -2.539 -8.240 -10.729 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.659 -9.588 -9.196 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.976 -10.798 -9.939 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.035 -11.427 -8.692 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.717 -12.229 -12.644 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.416 -11.162 -12.107 1.00 0.00 H new ATOM 316 N THR A 22 -1.551 -8.822 -8.298 1.00 0.00 N ATOM 317 CA THR A 22 -0.706 -8.224 -7.258 1.00 0.00 C ATOM 318 C THR A 22 -0.922 -8.901 -5.893 1.00 0.00 C ATOM 319 O THR A 22 -0.334 -8.518 -4.883 1.00 0.00 O ATOM 320 CB THR A 22 -0.960 -6.705 -7.163 1.00 0.00 C ATOM 321 OG1 THR A 22 -1.017 -6.151 -8.487 1.00 0.00 O ATOM 322 CG2 THR A 22 0.142 -6.000 -6.383 1.00 0.00 C ATOM 0 H THR A 22 -1.023 -9.255 -9.056 1.00 0.00 H new ATOM 0 HA THR A 22 0.334 -8.386 -7.541 1.00 0.00 H new ATOM 0 HB THR A 22 -1.904 -6.554 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.559 -5.284 -8.499 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.071 -4.932 -6.337 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.188 -6.405 -5.372 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.099 -6.158 -6.881 1.00 0.00 H new ATOM 330 N VAL A 23 -1.729 -9.954 -5.889 1.00 0.00 N ATOM 331 CA VAL A 23 -2.043 -10.686 -4.671 1.00 0.00 C ATOM 332 C VAL A 23 -0.993 -11.756 -4.399 1.00 0.00 C ATOM 333 O VAL A 23 -1.199 -12.654 -3.581 1.00 0.00 O ATOM 334 CB VAL A 23 -3.437 -11.342 -4.766 1.00 0.00 C ATOM 335 CG1 VAL A 23 -4.519 -10.281 -4.876 1.00 0.00 C ATOM 336 CG2 VAL A 23 -3.509 -12.299 -5.949 1.00 0.00 C ATOM 0 H VAL A 23 -2.182 -10.322 -6.726 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.045 -9.972 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.603 -11.915 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.495 -10.762 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.490 -9.639 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.350 -9.680 -5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.501 -12.748 -5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.316 -11.752 -6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.761 -13.083 -5.829 1.00 0.00 H new ATOM 346 N SER A 24 0.135 -11.638 -5.091 1.00 0.00 N ATOM 347 CA SER A 24 1.235 -12.576 -4.951 1.00 0.00 C ATOM 348 C SER A 24 1.739 -12.607 -3.508 1.00 0.00 C ATOM 349 O SER A 24 1.931 -13.677 -2.925 1.00 0.00 O ATOM 350 CB SER A 24 2.358 -12.163 -5.898 1.00 0.00 C ATOM 351 OG SER A 24 1.834 -11.792 -7.163 1.00 0.00 O ATOM 0 H SER A 24 0.309 -10.890 -5.762 1.00 0.00 H new ATOM 0 HA SER A 24 0.890 -13.578 -5.205 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.914 -11.329 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.062 -12.987 -6.017 1.00 0.00 H new ATOM 0 HG SER A 24 2.568 -11.529 -7.757 1.00 0.00 H new ATOM 357 N HIS A 25 1.941 -11.425 -2.934 1.00 0.00 N ATOM 358 CA HIS A 25 2.379 -11.312 -1.550 1.00 0.00 C ATOM 359 C HIS A 25 1.962 -9.970 -0.959 1.00 0.00 C ATOM 360 O HIS A 25 2.609 -8.946 -1.173 1.00 0.00 O ATOM 361 CB HIS A 25 3.903 -11.522 -1.419 1.00 0.00 C ATOM 362 CG HIS A 25 4.755 -10.589 -2.234 1.00 0.00 C ATOM 363 ND1 HIS A 25 5.414 -9.503 -1.697 1.00 0.00 N ATOM 364 CD2 HIS A 25 5.069 -10.598 -3.552 1.00 0.00 C ATOM 365 CE1 HIS A 25 6.089 -8.886 -2.646 1.00 0.00 C ATOM 366 NE2 HIS A 25 5.901 -9.532 -3.780 1.00 0.00 N ATOM 0 H HIS A 25 1.808 -10.532 -3.408 1.00 0.00 H new ATOM 0 HA HIS A 25 1.889 -12.103 -0.983 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.178 -11.415 -0.370 1.00 0.00 H new ATOM 0 HB3 HIS A 25 4.138 -12.547 -1.708 1.00 0.00 H new ATOM 0 HD2 HIS A 25 4.727 -11.312 -4.287 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.694 -8.001 -2.517 1.00 0.00 H new ATOM 0 HE2 HIS A 25 6.308 -9.280 -4.681 1.00 0.00 H new ATOM 375 N SER A 26 0.843 -9.973 -0.257 1.00 0.00 N ATOM 376 CA SER A 26 0.385 -8.784 0.438 1.00 0.00 C ATOM 377 C SER A 26 0.818 -8.841 1.902 1.00 0.00 C ATOM 378 O SER A 26 1.723 -8.121 2.324 1.00 0.00 O ATOM 379 CB SER A 26 -1.137 -8.670 0.331 1.00 0.00 C ATOM 380 OG SER A 26 -1.571 -8.847 -1.010 1.00 0.00 O ATOM 0 H SER A 26 0.235 -10.785 -0.153 1.00 0.00 H new ATOM 0 HA SER A 26 0.831 -7.903 -0.023 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.606 -9.418 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.458 -7.694 0.694 1.00 0.00 H new ATOM 0 HG SER A 26 -2.547 -8.771 -1.051 1.00 0.00 H new ATOM 386 N ASP A 27 0.187 -9.725 2.660 1.00 0.00 N ATOM 387 CA ASP A 27 0.528 -9.919 4.062 1.00 0.00 C ATOM 388 C ASP A 27 0.248 -11.368 4.451 1.00 0.00 C ATOM 389 O ASP A 27 -0.729 -11.963 3.986 1.00 0.00 O ATOM 390 CB ASP A 27 -0.270 -8.952 4.947 1.00 0.00 C ATOM 391 CG ASP A 27 0.155 -8.995 6.403 1.00 0.00 C ATOM 392 OD1 ASP A 27 -0.284 -9.911 7.123 1.00 0.00 O ATOM 393 OD2 ASP A 27 0.913 -8.099 6.839 1.00 0.00 O ATOM 0 H ASP A 27 -0.569 -10.323 2.325 1.00 0.00 H new ATOM 0 HA ASP A 27 1.587 -9.709 4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.149 -7.937 4.568 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.330 -9.194 4.876 1.00 0.00 H new ATOM 398 N LYS A 28 1.106 -11.939 5.281 1.00 0.00 N ATOM 399 CA LYS A 28 1.002 -13.349 5.632 1.00 0.00 C ATOM 400 C LYS A 28 0.806 -13.538 7.132 1.00 0.00 C ATOM 401 O LYS A 28 1.012 -14.630 7.663 1.00 0.00 O ATOM 402 CB LYS A 28 2.251 -14.105 5.146 1.00 0.00 C ATOM 403 CG LYS A 28 3.570 -13.565 5.693 1.00 0.00 C ATOM 404 CD LYS A 28 4.093 -14.393 6.859 1.00 0.00 C ATOM 405 CE LYS A 28 4.430 -15.813 6.426 1.00 0.00 C ATOM 406 NZ LYS A 28 4.956 -16.631 7.550 1.00 0.00 N ATOM 0 H LYS A 28 1.883 -11.449 5.725 1.00 0.00 H new ATOM 0 HA LYS A 28 0.123 -13.760 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.158 -15.154 5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.282 -14.069 4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.314 -13.553 4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.432 -12.533 6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.981 -13.918 7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.345 -14.421 7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.538 -16.289 6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.168 -15.782 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.172 -17.590 7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.822 -16.192 7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.242 -16.684 8.305 1.00 0.00 H new ATOM 420 N LYS A 29 0.389 -12.477 7.805 1.00 0.00 N ATOM 421 CA LYS A 29 0.212 -12.515 9.250 1.00 0.00 C ATOM 422 C LYS A 29 -1.210 -12.118 9.644 1.00 0.00 C ATOM 423 O LYS A 29 -1.792 -12.688 10.572 1.00 0.00 O ATOM 424 CB LYS A 29 1.226 -11.582 9.915 1.00 0.00 C ATOM 425 CG LYS A 29 1.122 -11.547 11.427 1.00 0.00 C ATOM 426 CD LYS A 29 2.130 -10.587 12.023 1.00 0.00 C ATOM 427 CE LYS A 29 1.987 -10.508 13.531 1.00 0.00 C ATOM 428 NZ LYS A 29 2.987 -9.591 14.133 1.00 0.00 N ATOM 0 H LYS A 29 0.167 -11.579 7.375 1.00 0.00 H new ATOM 0 HA LYS A 29 0.379 -13.536 9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.232 -11.895 9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.087 -10.573 9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.115 -11.248 11.718 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.286 -12.547 11.829 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.139 -10.910 11.767 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.993 -9.596 11.590 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.983 -10.167 13.783 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.103 -11.504 13.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.857 -9.564 15.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.945 -9.930 13.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.861 -8.635 13.743 1.00 0.00 H new ATOM 442 N SER A 30 -1.765 -11.143 8.941 1.00 0.00 N ATOM 443 CA SER A 30 -3.099 -10.650 9.246 1.00 0.00 C ATOM 444 C SER A 30 -4.172 -11.427 8.483 1.00 0.00 C ATOM 445 O SER A 30 -3.863 -12.247 7.614 1.00 0.00 O ATOM 446 CB SER A 30 -3.194 -9.149 8.947 1.00 0.00 C ATOM 447 OG SER A 30 -2.691 -8.838 7.655 1.00 0.00 O ATOM 0 H SER A 30 -1.312 -10.677 8.155 1.00 0.00 H new ATOM 0 HA SER A 30 -3.279 -10.805 10.310 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.233 -8.828 9.020 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.635 -8.592 9.699 1.00 0.00 H new ATOM 0 HG SER A 30 -3.433 -8.579 7.069 1.00 0.00 H new ATOM 453 N GLU A 31 -5.429 -11.168 8.827 1.00 0.00 N ATOM 454 CA GLU A 31 -6.557 -11.867 8.228 1.00 0.00 C ATOM 455 C GLU A 31 -6.930 -11.265 6.879 1.00 0.00 C ATOM 456 O GLU A 31 -7.065 -10.048 6.738 1.00 0.00 O ATOM 457 CB GLU A 31 -7.760 -11.823 9.173 1.00 0.00 C ATOM 458 CG GLU A 31 -7.555 -12.618 10.455 1.00 0.00 C ATOM 459 CD GLU A 31 -7.429 -14.104 10.200 1.00 0.00 C ATOM 460 OE1 GLU A 31 -8.472 -14.772 10.052 1.00 0.00 O ATOM 461 OE2 GLU A 31 -6.289 -14.613 10.148 1.00 0.00 O ATOM 0 H GLU A 31 -5.692 -10.472 9.525 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.263 -12.904 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.973 -10.785 9.429 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.636 -12.209 8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.657 -12.262 10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.393 -12.438 11.129 1.00 0.00 H new ATOM 468 N ARG A 32 -7.097 -12.131 5.894 1.00 0.00 N ATOM 469 CA ARG A 32 -7.449 -11.708 4.550 1.00 0.00 C ATOM 470 C ARG A 32 -8.928 -11.969 4.294 1.00 0.00 C ATOM 471 O ARG A 32 -9.331 -13.112 4.078 1.00 0.00 O ATOM 472 CB ARG A 32 -6.612 -12.467 3.522 1.00 0.00 C ATOM 473 CG ARG A 32 -5.130 -12.508 3.848 1.00 0.00 C ATOM 474 CD ARG A 32 -4.377 -13.390 2.869 1.00 0.00 C ATOM 475 NE ARG A 32 -3.016 -13.670 3.321 1.00 0.00 N ATOM 476 CZ ARG A 32 -2.480 -14.890 3.340 1.00 0.00 C ATOM 477 NH1 ARG A 32 -3.182 -15.932 2.907 1.00 0.00 N ATOM 478 NH2 ARG A 32 -1.247 -15.065 3.788 1.00 0.00 N ATOM 0 H ARG A 32 -6.993 -13.140 6.002 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.248 -10.641 4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.986 -13.488 3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.747 -12.004 2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.721 -11.498 3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.988 -12.882 4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.916 -14.328 2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.343 -12.903 1.894 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.444 -12.888 3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.132 -15.798 2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.771 -16.865 2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.706 -14.266 4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.837 -15.999 3.802 1.00 0.00 H new ATOM 492 N TRP A 33 -9.733 -10.917 4.342 1.00 0.00 N ATOM 493 CA TRP A 33 -11.162 -11.049 4.098 1.00 0.00 C ATOM 494 C TRP A 33 -11.441 -11.104 2.597 1.00 0.00 C ATOM 495 O TRP A 33 -11.779 -12.158 2.058 1.00 0.00 O ATOM 496 CB TRP A 33 -11.926 -9.888 4.740 1.00 0.00 C ATOM 497 CG TRP A 33 -13.416 -10.078 4.732 1.00 0.00 C ATOM 498 CD1 TRP A 33 -14.273 -9.801 3.707 1.00 0.00 C ATOM 499 CD2 TRP A 33 -14.219 -10.585 5.802 1.00 0.00 C ATOM 500 NE1 TRP A 33 -15.559 -10.116 4.071 1.00 0.00 N ATOM 501 CE2 TRP A 33 -15.553 -10.596 5.353 1.00 0.00 C ATOM 502 CE3 TRP A 33 -13.941 -11.036 7.096 1.00 0.00 C ATOM 503 CZ2 TRP A 33 -16.604 -11.035 6.153 1.00 0.00 C ATOM 504 CZ3 TRP A 33 -14.985 -11.469 7.888 1.00 0.00 C ATOM 505 CH2 TRP A 33 -16.301 -11.471 7.412 1.00 0.00 C ATOM 0 H TRP A 33 -9.423 -9.967 4.547 1.00 0.00 H new ATOM 0 HA TRP A 33 -11.505 -11.979 4.551 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -11.588 -9.765 5.769 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -11.682 -8.966 4.212 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -13.982 -9.394 2.750 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -16.385 -10.010 3.482 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -12.927 -11.045 7.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -17.622 -11.031 5.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -14.783 -11.812 8.892 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -17.094 -11.825 8.054 1.00 0.00 H new ATOM 516 N PHE A 34 -11.286 -9.968 1.927 1.00 0.00 N ATOM 517 CA PHE A 34 -11.499 -9.886 0.488 1.00 0.00 C ATOM 518 C PHE A 34 -10.876 -8.605 -0.054 1.00 0.00 C ATOM 519 O PHE A 34 -10.980 -7.549 0.570 1.00 0.00 O ATOM 520 CB PHE A 34 -13.001 -9.931 0.173 1.00 0.00 C ATOM 521 CG PHE A 34 -13.323 -10.014 -1.295 1.00 0.00 C ATOM 522 CD1 PHE A 34 -12.860 -11.072 -2.061 1.00 0.00 C ATOM 523 CD2 PHE A 34 -14.090 -9.034 -1.909 1.00 0.00 C ATOM 524 CE1 PHE A 34 -13.151 -11.151 -3.410 1.00 0.00 C ATOM 525 CE2 PHE A 34 -14.384 -9.110 -3.259 1.00 0.00 C ATOM 526 CZ PHE A 34 -13.915 -10.169 -4.009 1.00 0.00 C ATOM 0 H PHE A 34 -11.012 -9.087 2.361 1.00 0.00 H new ATOM 0 HA PHE A 34 -11.021 -10.739 0.006 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.441 -10.790 0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -13.474 -9.041 0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -12.264 -11.845 -1.598 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -14.461 -8.203 -1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.781 -11.980 -3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.981 -8.340 -3.726 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.145 -10.230 -5.062 1.00 0.00 H new ATOM 536 N ARG A 35 -10.214 -8.706 -1.199 1.00 0.00 N ATOM 537 CA ARG A 35 -9.575 -7.552 -1.811 1.00 0.00 C ATOM 538 C ARG A 35 -9.545 -7.685 -3.341 1.00 0.00 C ATOM 539 O ARG A 35 -8.611 -8.241 -3.921 1.00 0.00 O ATOM 540 CB ARG A 35 -8.167 -7.301 -1.229 1.00 0.00 C ATOM 541 CG ARG A 35 -7.092 -8.346 -1.554 1.00 0.00 C ATOM 542 CD ARG A 35 -7.096 -9.548 -0.609 1.00 0.00 C ATOM 543 NE ARG A 35 -8.055 -10.592 -0.990 1.00 0.00 N ATOM 544 CZ ARG A 35 -7.987 -11.313 -2.117 1.00 0.00 C ATOM 545 NH1 ARG A 35 -7.044 -11.077 -3.017 1.00 0.00 N ATOM 546 NH2 ARG A 35 -8.855 -12.290 -2.328 1.00 0.00 N ATOM 0 H ARG A 35 -10.106 -9.575 -1.721 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.176 -6.675 -1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.819 -6.332 -1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.255 -7.228 -0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.237 -8.698 -2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.112 -7.870 -1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.095 -9.979 -0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.326 -9.206 0.400 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.828 -10.782 -0.352 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.359 -10.339 -2.856 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.003 -11.633 -3.871 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.574 -12.493 -1.633 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.805 -12.840 -3.185 1.00 0.00 H new ATOM 560 N PRO A 36 -10.609 -7.223 -4.012 1.00 0.00 N ATOM 561 CA PRO A 36 -10.717 -7.294 -5.475 1.00 0.00 C ATOM 562 C PRO A 36 -9.794 -6.296 -6.172 1.00 0.00 C ATOM 563 O PRO A 36 -10.237 -5.237 -6.624 1.00 0.00 O ATOM 564 CB PRO A 36 -12.181 -6.950 -5.739 1.00 0.00 C ATOM 565 CG PRO A 36 -12.585 -6.096 -4.587 1.00 0.00 C ATOM 566 CD PRO A 36 -11.790 -6.581 -3.402 1.00 0.00 C ATOM 0 HA PRO A 36 -10.421 -8.269 -5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.299 -6.420 -6.684 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.794 -7.849 -5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.378 -5.045 -4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.655 -6.179 -4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.505 -5.758 -2.747 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.361 -7.286 -2.798 1.00 0.00 H new ATOM 574 N ASN A 37 -8.501 -6.626 -6.198 1.00 0.00 N ATOM 575 CA ASN A 37 -7.466 -5.800 -6.836 1.00 0.00 C ATOM 576 C ASN A 37 -7.217 -4.506 -6.062 1.00 0.00 C ATOM 577 O ASN A 37 -6.289 -3.754 -6.368 1.00 0.00 O ATOM 578 CB ASN A 37 -7.814 -5.493 -8.299 1.00 0.00 C ATOM 579 CG ASN A 37 -7.787 -6.737 -9.165 1.00 0.00 C ATOM 580 OD1 ASN A 37 -8.800 -7.415 -9.344 1.00 0.00 O ATOM 581 ND2 ASN A 37 -6.622 -7.053 -9.704 1.00 0.00 N ATOM 0 H ASN A 37 -8.137 -7.480 -5.775 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.544 -6.382 -6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.804 -5.039 -8.348 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.108 -4.762 -8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.540 -7.883 -10.291 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.805 -6.467 -9.533 1.00 0.00 H new ATOM 588 N LEU A 38 -8.053 -4.255 -5.067 1.00 0.00 N ATOM 589 CA LEU A 38 -7.881 -3.127 -4.172 1.00 0.00 C ATOM 590 C LEU A 38 -7.147 -3.563 -2.920 1.00 0.00 C ATOM 591 O LEU A 38 -7.717 -4.254 -2.072 1.00 0.00 O ATOM 592 CB LEU A 38 -9.236 -2.543 -3.778 1.00 0.00 C ATOM 593 CG LEU A 38 -9.693 -1.341 -4.595 1.00 0.00 C ATOM 594 CD1 LEU A 38 -11.134 -0.989 -4.259 1.00 0.00 C ATOM 595 CD2 LEU A 38 -8.784 -0.148 -4.338 1.00 0.00 C ATOM 0 H LEU A 38 -8.870 -4.829 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.300 -2.366 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.989 -3.326 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.196 -2.253 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.636 -1.600 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.446 -0.128 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.778 -1.838 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.212 -0.748 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.124 0.702 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.814 0.111 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.762 -0.401 -4.621 1.00 0.00 H new ATOM 607 N GLN A 39 -5.893 -3.173 -2.796 1.00 0.00 N ATOM 608 CA GLN A 39 -5.129 -3.525 -1.622 1.00 0.00 C ATOM 609 C GLN A 39 -5.384 -2.540 -0.500 1.00 0.00 C ATOM 610 O GLN A 39 -4.935 -1.398 -0.544 1.00 0.00 O ATOM 611 CB GLN A 39 -3.642 -3.575 -1.926 1.00 0.00 C ATOM 612 CG GLN A 39 -3.208 -4.826 -2.665 1.00 0.00 C ATOM 613 CD GLN A 39 -1.750 -5.127 -2.417 1.00 0.00 C ATOM 614 OE1 GLN A 39 -1.063 -5.708 -3.254 1.00 0.00 O ATOM 615 NE2 GLN A 39 -1.266 -4.731 -1.250 1.00 0.00 N ATOM 0 H GLN A 39 -5.389 -2.618 -3.488 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.454 -4.517 -1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.373 -2.702 -2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.087 -3.507 -0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.817 -5.671 -2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.379 -4.698 -3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.871 -4.252 -0.583 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.288 -4.905 -1.018 1.00 0.00 H new ATOM 624 N LYS A 40 -6.128 -2.978 0.497 1.00 0.00 N ATOM 625 CA LYS A 40 -6.321 -2.176 1.684 1.00 0.00 C ATOM 626 C LYS A 40 -5.064 -2.228 2.538 1.00 0.00 C ATOM 627 O LYS A 40 -4.713 -3.269 3.099 1.00 0.00 O ATOM 628 CB LYS A 40 -7.558 -2.629 2.464 1.00 0.00 C ATOM 629 CG LYS A 40 -7.617 -4.120 2.746 1.00 0.00 C ATOM 630 CD LYS A 40 -8.914 -4.481 3.452 1.00 0.00 C ATOM 631 CE LYS A 40 -9.083 -3.705 4.751 1.00 0.00 C ATOM 632 NZ LYS A 40 -10.479 -3.765 5.258 1.00 0.00 N ATOM 0 H LYS A 40 -6.605 -3.879 0.507 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.499 -1.141 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.590 -2.092 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.449 -2.343 1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.539 -4.676 1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.767 -4.413 3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.757 -4.275 2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.928 -5.550 3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.406 -4.108 5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.800 -2.665 4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.550 -3.224 6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.123 -3.357 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.742 -4.756 5.435 1.00 0.00 H new ATOM 646 N VAL A 41 -4.383 -1.102 2.621 1.00 0.00 N ATOM 647 CA VAL A 41 -3.098 -1.039 3.289 1.00 0.00 C ATOM 648 C VAL A 41 -3.204 -0.241 4.573 1.00 0.00 C ATOM 649 O VAL A 41 -4.181 0.474 4.797 1.00 0.00 O ATOM 650 CB VAL A 41 -2.009 -0.422 2.382 1.00 0.00 C ATOM 651 CG1 VAL A 41 -1.776 -1.296 1.158 1.00 0.00 C ATOM 652 CG2 VAL A 41 -2.384 0.991 1.959 1.00 0.00 C ATOM 0 H VAL A 41 -4.700 -0.214 2.232 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.806 -2.063 3.522 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.084 -0.370 2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.006 -0.846 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.452 -2.287 1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.702 -1.381 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.600 1.400 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.324 0.968 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.497 1.618 2.844 1.00 0.00 H new ATOM 662 N ARG A 42 -2.198 -0.369 5.414 1.00 0.00 N ATOM 663 CA ARG A 42 -2.234 0.221 6.734 1.00 0.00 C ATOM 664 C ARG A 42 -1.678 1.643 6.704 1.00 0.00 C ATOM 665 O ARG A 42 -0.474 1.851 6.569 1.00 0.00 O ATOM 666 CB ARG A 42 -1.446 -0.671 7.694 1.00 0.00 C ATOM 667 CG ARG A 42 -1.564 -0.288 9.155 1.00 0.00 C ATOM 668 CD ARG A 42 -1.026 -1.392 10.051 1.00 0.00 C ATOM 669 NE ARG A 42 0.382 -1.690 9.783 1.00 0.00 N ATOM 670 CZ ARG A 42 0.834 -2.869 9.347 1.00 0.00 C ATOM 671 NH1 ARG A 42 -0.008 -3.874 9.116 1.00 0.00 N ATOM 672 NH2 ARG A 42 2.134 -3.047 9.142 1.00 0.00 N ATOM 0 H ARG A 42 -1.341 -0.880 5.204 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.265 0.290 7.081 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.785 -1.700 7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.394 -0.647 7.410 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.014 0.635 9.339 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.608 -0.091 9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.140 -1.098 11.094 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.620 -2.295 9.907 1.00 0.00 H new ATOM 0 HE ARG A 42 1.064 -0.948 9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.008 -3.748 9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.347 -4.770 8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.787 -2.284 9.317 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.479 -3.947 8.809 1.00 0.00 H new ATOM 686 N VAL A 43 -2.572 2.612 6.817 1.00 0.00 N ATOM 687 CA VAL A 43 -2.213 4.018 6.724 1.00 0.00 C ATOM 688 C VAL A 43 -2.542 4.745 8.021 1.00 0.00 C ATOM 689 O VAL A 43 -3.188 4.186 8.915 1.00 0.00 O ATOM 690 CB VAL A 43 -2.937 4.713 5.549 1.00 0.00 C ATOM 691 CG1 VAL A 43 -2.511 4.108 4.219 1.00 0.00 C ATOM 692 CG2 VAL A 43 -4.450 4.627 5.717 1.00 0.00 C ATOM 0 H VAL A 43 -3.566 2.446 6.976 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.139 4.064 6.545 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.653 5.765 5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.033 4.612 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.436 4.231 4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.759 3.047 4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.938 5.123 4.878 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.754 3.581 5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.741 5.116 6.647 1.00 0.00 H new ATOM 702 N VAL A 44 -2.090 5.984 8.127 1.00 0.00 N ATOM 703 CA VAL A 44 -2.303 6.772 9.328 1.00 0.00 C ATOM 704 C VAL A 44 -3.427 7.788 9.121 1.00 0.00 C ATOM 705 O VAL A 44 -3.485 8.482 8.107 1.00 0.00 O ATOM 706 CB VAL A 44 -1.005 7.494 9.770 1.00 0.00 C ATOM 707 CG1 VAL A 44 -0.485 8.415 8.675 1.00 0.00 C ATOM 708 CG2 VAL A 44 -1.223 8.264 11.068 1.00 0.00 C ATOM 0 H VAL A 44 -1.572 6.466 7.393 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.595 6.084 10.121 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.248 6.731 9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.426 8.907 9.016 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.269 7.831 7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.239 9.168 8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.297 8.761 11.356 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.005 9.009 10.922 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.523 7.572 11.855 1.00 0.00 H new ATOM 718 N LEU A 45 -4.336 7.844 10.082 1.00 0.00 N ATOM 719 CA LEU A 45 -5.430 8.794 10.043 1.00 0.00 C ATOM 720 C LEU A 45 -5.031 10.080 10.752 1.00 0.00 C ATOM 721 O LEU A 45 -4.326 10.044 11.764 1.00 0.00 O ATOM 722 CB LEU A 45 -6.667 8.204 10.723 1.00 0.00 C ATOM 723 CG LEU A 45 -7.294 6.996 10.026 1.00 0.00 C ATOM 724 CD1 LEU A 45 -8.505 6.506 10.803 1.00 0.00 C ATOM 725 CD2 LEU A 45 -7.683 7.344 8.596 1.00 0.00 C ATOM 0 H LEU A 45 -4.335 7.237 10.902 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.662 9.012 9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.397 7.915 11.739 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.422 8.986 10.804 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.555 6.195 9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.940 5.646 10.294 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.199 6.216 11.808 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.245 7.304 10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.127 6.471 8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.405 8.161 8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.796 7.650 8.042 1.00 0.00 H new ATOM 737 N PRO A 46 -5.498 11.235 10.249 1.00 0.00 N ATOM 738 CA PRO A 46 -5.248 12.535 10.883 1.00 0.00 C ATOM 739 C PRO A 46 -5.844 12.591 12.288 1.00 0.00 C ATOM 740 O PRO A 46 -5.417 13.379 13.134 1.00 0.00 O ATOM 741 CB PRO A 46 -5.952 13.538 9.960 1.00 0.00 C ATOM 742 CG PRO A 46 -6.914 12.729 9.159 1.00 0.00 C ATOM 743 CD PRO A 46 -6.299 11.366 9.021 1.00 0.00 C ATOM 0 HA PRO A 46 -4.184 12.739 11.002 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.468 14.306 10.535 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.236 14.049 9.316 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.882 12.671 9.656 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.084 13.181 8.182 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.058 10.587 8.950 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.681 11.292 8.127 1.00 0.00 H new ATOM 751 N ASP A 47 -6.829 11.724 12.520 1.00 0.00 N ATOM 752 CA ASP A 47 -7.487 11.597 13.816 1.00 0.00 C ATOM 753 C ASP A 47 -6.519 11.067 14.869 1.00 0.00 C ATOM 754 O ASP A 47 -6.777 11.165 16.070 1.00 0.00 O ATOM 755 CB ASP A 47 -8.688 10.649 13.703 1.00 0.00 C ATOM 756 CG ASP A 47 -9.727 11.132 12.710 1.00 0.00 C ATOM 757 OD1 ASP A 47 -9.390 11.296 11.518 1.00 0.00 O ATOM 758 OD2 ASP A 47 -10.890 11.334 13.107 1.00 0.00 O ATOM 0 H ASP A 47 -7.193 11.088 11.810 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.828 12.586 14.122 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.338 9.661 13.404 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.152 10.540 14.683 1.00 0.00 H new ATOM 763 N GLY A 48 -5.403 10.515 14.410 1.00 0.00 N ATOM 764 CA GLY A 48 -4.441 9.928 15.319 1.00 0.00 C ATOM 765 C GLY A 48 -4.702 8.455 15.525 1.00 0.00 C ATOM 766 O GLY A 48 -4.588 7.942 16.635 1.00 0.00 O ATOM 0 H GLY A 48 -5.148 10.464 13.424 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.434 10.069 14.926 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.483 10.444 16.278 1.00 0.00 H new ATOM 770 N THR A 49 -5.053 7.772 14.445 1.00 0.00 N ATOM 771 CA THR A 49 -5.394 6.363 14.507 1.00 0.00 C ATOM 772 C THR A 49 -4.780 5.623 13.320 1.00 0.00 C ATOM 773 O THR A 49 -4.461 6.236 12.300 1.00 0.00 O ATOM 774 CB THR A 49 -6.922 6.164 14.493 1.00 0.00 C ATOM 775 OG1 THR A 49 -7.558 7.182 15.276 1.00 0.00 O ATOM 776 CG2 THR A 49 -7.301 4.800 15.052 1.00 0.00 C ATOM 0 H THR A 49 -5.108 8.177 13.510 1.00 0.00 H new ATOM 0 HA THR A 49 -4.995 5.961 15.439 1.00 0.00 H new ATOM 0 HB THR A 49 -7.257 6.228 13.458 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.529 7.048 15.260 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.385 4.686 15.030 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.842 4.018 14.447 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.948 4.717 16.080 1.00 0.00 H new ATOM 784 N ILE A 50 -4.615 4.316 13.457 1.00 0.00 N ATOM 785 CA ILE A 50 -4.092 3.489 12.380 1.00 0.00 C ATOM 786 C ILE A 50 -5.241 2.743 11.706 1.00 0.00 C ATOM 787 O ILE A 50 -6.034 2.076 12.374 1.00 0.00 O ATOM 788 CB ILE A 50 -3.025 2.480 12.898 1.00 0.00 C ATOM 789 CG1 ILE A 50 -1.711 3.196 13.261 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.761 1.391 11.870 1.00 0.00 C ATOM 791 CD1 ILE A 50 -1.761 3.992 14.552 1.00 0.00 C ATOM 0 H ILE A 50 -4.838 3.802 14.310 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.603 4.141 11.656 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.424 2.017 13.800 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.917 2.453 13.338 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.441 3.867 12.446 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.012 0.700 12.256 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.685 0.849 11.668 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.396 1.842 10.947 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.793 4.462 14.728 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.529 4.762 14.475 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.997 3.325 15.382 1.00 0.00 H new ATOM 803 N LYS A 51 -5.345 2.872 10.391 1.00 0.00 N ATOM 804 CA LYS A 51 -6.463 2.299 9.657 1.00 0.00 C ATOM 805 C LYS A 51 -5.981 1.587 8.403 1.00 0.00 C ATOM 806 O LYS A 51 -5.020 2.011 7.767 1.00 0.00 O ATOM 807 CB LYS A 51 -7.448 3.408 9.273 1.00 0.00 C ATOM 808 CG LYS A 51 -8.738 2.911 8.642 1.00 0.00 C ATOM 809 CD LYS A 51 -9.643 2.256 9.669 1.00 0.00 C ATOM 810 CE LYS A 51 -10.913 1.708 9.036 1.00 0.00 C ATOM 811 NZ LYS A 51 -10.636 0.598 8.086 1.00 0.00 N ATOM 0 H LYS A 51 -4.669 3.368 9.811 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.960 1.570 10.298 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.693 3.985 10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.957 4.089 8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.261 3.745 8.174 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.506 2.197 7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.105 1.447 10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.905 2.982 10.439 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.583 1.354 9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.431 2.511 8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.531 0.146 7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.163 0.975 7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.020 -0.104 8.543 1.00 0.00 H new ATOM 825 N ARG A 52 -6.637 0.494 8.059 1.00 0.00 N ATOM 826 CA ARG A 52 -6.376 -0.176 6.796 1.00 0.00 C ATOM 827 C ARG A 52 -7.415 0.250 5.778 1.00 0.00 C ATOM 828 O ARG A 52 -8.603 -0.045 5.921 1.00 0.00 O ATOM 829 CB ARG A 52 -6.378 -1.695 6.949 1.00 0.00 C ATOM 830 CG ARG A 52 -5.291 -2.213 7.870 1.00 0.00 C ATOM 831 CD ARG A 52 -5.159 -3.717 7.760 1.00 0.00 C ATOM 832 NE ARG A 52 -4.315 -4.272 8.815 1.00 0.00 N ATOM 833 CZ ARG A 52 -3.516 -5.327 8.668 1.00 0.00 C ATOM 834 NH1 ARG A 52 -3.434 -5.957 7.499 1.00 0.00 N ATOM 835 NH2 ARG A 52 -2.804 -5.760 9.701 1.00 0.00 N ATOM 0 H ARG A 52 -7.353 0.051 8.634 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.382 0.114 6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.348 -2.012 7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.258 -2.151 5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.341 -1.741 7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.520 -1.939 8.900 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.148 -4.172 7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.739 -3.974 6.787 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.339 -3.820 9.729 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.986 -5.633 6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.819 -6.764 7.397 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.871 -5.285 10.601 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.190 -6.568 9.595 1.00 0.00 H new ATOM 849 N MET A 53 -6.961 0.950 4.761 1.00 0.00 N ATOM 850 CA MET A 53 -7.862 1.518 3.767 1.00 0.00 C ATOM 851 C MET A 53 -7.519 1.001 2.381 1.00 0.00 C ATOM 852 O MET A 53 -6.348 0.819 2.049 1.00 0.00 O ATOM 853 CB MET A 53 -7.796 3.047 3.780 1.00 0.00 C ATOM 854 CG MET A 53 -8.078 3.659 5.145 1.00 0.00 C ATOM 855 SD MET A 53 -8.027 5.462 5.141 1.00 0.00 S ATOM 856 CE MET A 53 -9.439 5.845 4.108 1.00 0.00 C ATOM 0 H MET A 53 -5.973 1.143 4.596 1.00 0.00 H new ATOM 0 HA MET A 53 -8.877 1.211 4.021 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.807 3.362 3.447 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.514 3.439 3.060 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.059 3.331 5.487 1.00 0.00 H new ATOM 0 HG3 MET A 53 -7.348 3.283 5.862 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.733 6.883 4.264 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.175 5.696 3.061 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.270 5.190 4.370 1.00 0.00 H new ATOM 866 N ARG A 54 -8.549 0.758 1.587 1.00 0.00 N ATOM 867 CA ARG A 54 -8.384 0.242 0.234 1.00 0.00 C ATOM 868 C ARG A 54 -7.683 1.258 -0.659 1.00 0.00 C ATOM 869 O ARG A 54 -8.223 2.328 -0.951 1.00 0.00 O ATOM 870 CB ARG A 54 -9.740 -0.136 -0.364 1.00 0.00 C ATOM 871 CG ARG A 54 -10.355 -1.389 0.244 1.00 0.00 C ATOM 872 CD ARG A 54 -11.756 -1.648 -0.295 1.00 0.00 C ATOM 873 NE ARG A 54 -12.766 -0.821 0.363 1.00 0.00 N ATOM 874 CZ ARG A 54 -13.525 0.082 -0.259 1.00 0.00 C ATOM 875 NH1 ARG A 54 -13.344 0.339 -1.552 1.00 0.00 N ATOM 876 NH2 ARG A 54 -14.456 0.738 0.425 1.00 0.00 N ATOM 0 H ARG A 54 -9.520 0.911 1.859 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.761 -0.651 0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.430 0.697 -0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.624 -0.284 -1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.718 -2.247 0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.396 -1.285 1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.772 -1.453 -1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.006 -2.700 -0.159 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.899 -0.943 1.367 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.621 -0.156 -2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.928 1.031 -2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.586 0.550 1.419 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.040 1.430 -0.044 1.00 0.00 H new ATOM 890 N VAL A 55 -6.477 0.925 -1.079 1.00 0.00 N ATOM 891 CA VAL A 55 -5.706 1.789 -1.949 1.00 0.00 C ATOM 892 C VAL A 55 -5.302 1.025 -3.199 1.00 0.00 C ATOM 893 O VAL A 55 -4.818 -0.105 -3.122 1.00 0.00 O ATOM 894 CB VAL A 55 -4.445 2.346 -1.245 1.00 0.00 C ATOM 895 CG1 VAL A 55 -3.702 3.314 -2.152 1.00 0.00 C ATOM 896 CG2 VAL A 55 -4.812 3.030 0.065 1.00 0.00 C ATOM 0 H VAL A 55 -6.008 0.055 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.335 2.638 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.788 1.505 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.820 3.692 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.396 2.798 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.357 4.147 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.909 3.413 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.495 3.856 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.295 2.312 0.728 1.00 0.00 H new ATOM 906 N CYS A 56 -5.534 1.624 -4.350 1.00 0.00 N ATOM 907 CA CYS A 56 -5.187 0.988 -5.611 1.00 0.00 C ATOM 908 C CYS A 56 -3.687 1.105 -5.886 1.00 0.00 C ATOM 909 O CYS A 56 -3.041 2.060 -5.452 1.00 0.00 O ATOM 910 CB CYS A 56 -6.005 1.593 -6.751 1.00 0.00 C ATOM 911 SG CYS A 56 -6.095 3.393 -6.720 1.00 0.00 S ATOM 0 H CYS A 56 -5.959 2.547 -4.441 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.428 -0.073 -5.542 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.572 1.278 -7.701 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.017 1.189 -6.712 1.00 0.00 H new ATOM 0 HG CYS A 56 -5.365 3.881 -7.679 1.00 0.00 H new ATOM 917 N THR A 57 -3.144 0.126 -6.603 1.00 0.00 N ATOM 918 CA THR A 57 -1.712 0.055 -6.878 1.00 0.00 C ATOM 919 C THR A 57 -1.199 1.308 -7.597 1.00 0.00 C ATOM 920 O THR A 57 -0.047 1.710 -7.415 1.00 0.00 O ATOM 921 CB THR A 57 -1.395 -1.197 -7.718 1.00 0.00 C ATOM 922 OG1 THR A 57 -1.963 -2.345 -7.077 1.00 0.00 O ATOM 923 CG2 THR A 57 0.107 -1.392 -7.875 1.00 0.00 C ATOM 0 H THR A 57 -3.682 -0.639 -7.009 1.00 0.00 H new ATOM 0 HA THR A 57 -1.200 -0.007 -5.918 1.00 0.00 H new ATOM 0 HB THR A 57 -1.824 -1.066 -8.712 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.695 -2.697 -7.625 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.298 -2.284 -8.472 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.537 -0.523 -8.373 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.563 -1.510 -6.892 1.00 0.00 H new ATOM 931 N SER A 58 -2.056 1.936 -8.391 1.00 0.00 N ATOM 932 CA SER A 58 -1.693 3.166 -9.084 1.00 0.00 C ATOM 933 C SER A 58 -1.327 4.263 -8.079 1.00 0.00 C ATOM 934 O SER A 58 -0.385 5.028 -8.287 1.00 0.00 O ATOM 935 CB SER A 58 -2.847 3.613 -9.982 1.00 0.00 C ATOM 936 OG SER A 58 -4.090 3.498 -9.307 1.00 0.00 O ATOM 0 H SER A 58 -3.007 1.615 -8.571 1.00 0.00 H new ATOM 0 HA SER A 58 -0.818 2.978 -9.706 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.692 4.646 -10.292 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.863 3.007 -10.888 1.00 0.00 H new ATOM 0 HG SER A 58 -4.813 3.791 -9.900 1.00 0.00 H new ATOM 942 N CYS A 59 -2.067 4.305 -6.981 1.00 0.00 N ATOM 943 CA CYS A 59 -1.808 5.241 -5.905 1.00 0.00 C ATOM 944 C CYS A 59 -0.656 4.751 -5.032 1.00 0.00 C ATOM 945 O CYS A 59 0.141 5.548 -4.529 1.00 0.00 O ATOM 946 CB CYS A 59 -3.075 5.416 -5.067 1.00 0.00 C ATOM 947 SG CYS A 59 -4.413 6.278 -5.927 1.00 0.00 S ATOM 0 H CYS A 59 -2.863 3.690 -6.814 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.523 6.203 -6.331 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.431 4.434 -4.755 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.825 5.967 -4.160 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.248 5.408 -6.413 1.00 0.00 H new ATOM 953 N LEU A 60 -0.570 3.433 -4.866 1.00 0.00 N ATOM 954 CA LEU A 60 0.479 2.816 -4.059 1.00 0.00 C ATOM 955 C LEU A 60 1.865 3.083 -4.636 1.00 0.00 C ATOM 956 O LEU A 60 2.819 3.299 -3.889 1.00 0.00 O ATOM 957 CB LEU A 60 0.254 1.304 -3.950 1.00 0.00 C ATOM 958 CG LEU A 60 -0.951 0.874 -3.111 1.00 0.00 C ATOM 959 CD1 LEU A 60 -1.133 -0.635 -3.175 1.00 0.00 C ATOM 960 CD2 LEU A 60 -0.781 1.323 -1.668 1.00 0.00 C ATOM 0 H LEU A 60 -1.220 2.767 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 60 0.429 3.265 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.138 0.899 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.150 0.851 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.842 1.349 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.994 -0.923 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.295 -0.938 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.240 -1.126 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.647 1.009 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.120 0.873 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.694 2.409 -1.633 1.00 0.00 H new ATOM 972 N LYS A 61 1.966 3.060 -5.962 1.00 0.00 N ATOM 973 CA LYS A 61 3.239 3.273 -6.645 1.00 0.00 C ATOM 974 C LYS A 61 3.832 4.629 -6.271 1.00 0.00 C ATOM 975 O LYS A 61 4.941 4.706 -5.736 1.00 0.00 O ATOM 976 CB LYS A 61 3.048 3.157 -8.168 1.00 0.00 C ATOM 977 CG LYS A 61 4.340 3.241 -8.982 1.00 0.00 C ATOM 978 CD LYS A 61 4.732 4.681 -9.287 1.00 0.00 C ATOM 979 CE LYS A 61 6.073 4.768 -10.007 1.00 0.00 C ATOM 980 NZ LYS A 61 7.194 4.280 -9.159 1.00 0.00 N ATOM 0 H LYS A 61 1.178 2.895 -6.588 1.00 0.00 H new ATOM 0 HA LYS A 61 3.941 2.502 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.557 2.209 -8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.375 3.948 -8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.146 2.755 -8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.216 2.694 -9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.960 5.144 -9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.782 5.248 -8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.031 4.181 -10.925 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.262 5.801 -10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.100 4.570 -9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.110 4.686 -8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.157 3.242 -9.098 1.00 0.00 H new ATOM 994 N SER A 62 3.085 5.689 -6.542 1.00 0.00 N ATOM 995 CA SER A 62 3.553 7.039 -6.268 1.00 0.00 C ATOM 996 C SER A 62 3.638 7.293 -4.765 1.00 0.00 C ATOM 997 O SER A 62 4.489 8.051 -4.296 1.00 0.00 O ATOM 998 CB SER A 62 2.608 8.047 -6.914 1.00 0.00 C ATOM 999 OG SER A 62 2.337 7.690 -8.258 1.00 0.00 O ATOM 0 H SER A 62 2.152 5.640 -6.951 1.00 0.00 H new ATOM 0 HA SER A 62 4.552 7.153 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.676 8.093 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.051 9.042 -6.879 1.00 0.00 H new ATOM 0 HG SER A 62 1.728 8.347 -8.655 1.00 0.00 H new ATOM 1005 N GLY A 63 2.756 6.644 -4.015 1.00 0.00 N ATOM 1006 CA GLY A 63 2.725 6.832 -2.579 1.00 0.00 C ATOM 1007 C GLY A 63 2.243 8.217 -2.208 1.00 0.00 C ATOM 1008 O GLY A 63 2.752 8.833 -1.271 1.00 0.00 O ATOM 0 H GLY A 63 2.061 5.990 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.071 6.086 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.722 6.671 -2.169 1.00 0.00 H new ATOM 1012 N LYS A 64 1.259 8.705 -2.946 1.00 0.00 N ATOM 1013 CA LYS A 64 0.720 10.043 -2.715 1.00 0.00 C ATOM 1014 C LYS A 64 -0.460 10.000 -1.748 1.00 0.00 C ATOM 1015 O LYS A 64 -1.227 10.956 -1.635 1.00 0.00 O ATOM 1016 CB LYS A 64 0.332 10.707 -4.049 1.00 0.00 C ATOM 1017 CG LYS A 64 -0.441 9.814 -5.021 1.00 0.00 C ATOM 1018 CD LYS A 64 -1.903 9.643 -4.631 1.00 0.00 C ATOM 1019 CE LYS A 64 -2.664 10.962 -4.668 1.00 0.00 C ATOM 1020 NZ LYS A 64 -2.612 11.606 -6.010 1.00 0.00 N ATOM 0 H LYS A 64 0.815 8.197 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 64 1.497 10.651 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.270 11.590 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.241 11.052 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.385 10.241 -6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.035 8.835 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.377 8.932 -5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.963 9.218 -3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.704 10.787 -4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.246 11.641 -3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.301 12.384 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.657 11.981 -6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.842 10.903 -6.741 1.00 0.00 H new ATOM 1034 N VAL A 65 -0.591 8.880 -1.055 1.00 0.00 N ATOM 1035 CA VAL A 65 -1.603 8.729 -0.024 1.00 0.00 C ATOM 1036 C VAL A 65 -0.977 8.967 1.346 1.00 0.00 C ATOM 1037 O VAL A 65 0.248 9.015 1.474 1.00 0.00 O ATOM 1038 CB VAL A 65 -2.256 7.328 -0.063 1.00 0.00 C ATOM 1039 CG1 VAL A 65 -2.978 7.108 -1.380 1.00 0.00 C ATOM 1040 CG2 VAL A 65 -1.219 6.241 0.162 1.00 0.00 C ATOM 0 H VAL A 65 -0.004 8.057 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.384 9.466 -0.210 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.987 7.275 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.430 6.116 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.756 7.862 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.267 7.188 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.703 5.265 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.460 6.295 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.750 6.382 1.136 1.00 0.00 H new ATOM 1050 N LYS A 66 -1.808 9.108 2.368 1.00 0.00 N ATOM 1051 CA LYS A 66 -1.314 9.371 3.714 1.00 0.00 C ATOM 1052 C LYS A 66 -0.802 8.084 4.359 1.00 0.00 C ATOM 1053 O LYS A 66 -1.512 7.420 5.112 1.00 0.00 O ATOM 1054 CB LYS A 66 -2.416 10.017 4.562 1.00 0.00 C ATOM 1055 CG LYS A 66 -2.929 11.323 3.970 1.00 0.00 C ATOM 1056 CD LYS A 66 -4.051 11.928 4.801 1.00 0.00 C ATOM 1057 CE LYS A 66 -4.570 13.211 4.167 1.00 0.00 C ATOM 1058 NZ LYS A 66 -5.690 13.805 4.943 1.00 0.00 N ATOM 0 H LYS A 66 -2.823 9.045 2.293 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.478 10.067 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.247 9.318 4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.033 10.204 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.107 12.035 3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.286 11.145 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.866 11.210 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.690 12.136 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.757 13.933 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.904 13.003 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.012 14.676 4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.477 13.127 4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.365 14.028 5.906 1.00 0.00 H new ATOM 1072 N LYS A 67 0.429 7.728 4.020 1.00 0.00 N ATOM 1073 CA LYS A 67 1.044 6.494 4.496 1.00 0.00 C ATOM 1074 C LYS A 67 1.613 6.661 5.899 1.00 0.00 C ATOM 1075 O LYS A 67 2.140 7.718 6.243 1.00 0.00 O ATOM 1076 CB LYS A 67 2.165 6.066 3.543 1.00 0.00 C ATOM 1077 CG LYS A 67 1.688 5.713 2.141 1.00 0.00 C ATOM 1078 CD LYS A 67 2.857 5.494 1.190 1.00 0.00 C ATOM 1079 CE LYS A 67 3.805 4.415 1.693 1.00 0.00 C ATOM 1080 NZ LYS A 67 4.961 4.216 0.779 1.00 0.00 N ATOM 0 H LYS A 67 1.029 8.283 3.410 1.00 0.00 H new ATOM 0 HA LYS A 67 0.270 5.728 4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.896 6.871 3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.679 5.204 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.076 4.812 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.053 6.513 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.478 5.214 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.404 6.429 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.169 4.686 2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.261 3.476 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.581 3.473 1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.616 3.932 -0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.496 5.104 0.697 1.00 0.00 H new ATOM 1094 N TYR A 68 1.512 5.612 6.700 1.00 0.00 N ATOM 1095 CA TYR A 68 2.096 5.613 8.029 1.00 0.00 C ATOM 1096 C TYR A 68 3.514 5.058 7.975 1.00 0.00 C ATOM 1097 O TYR A 68 3.710 3.862 7.768 1.00 0.00 O ATOM 1098 CB TYR A 68 1.247 4.785 9.002 1.00 0.00 C ATOM 1099 CG TYR A 68 1.843 4.685 10.390 1.00 0.00 C ATOM 1100 CD1 TYR A 68 1.989 5.814 11.184 1.00 0.00 C ATOM 1101 CD2 TYR A 68 2.268 3.465 10.900 1.00 0.00 C ATOM 1102 CE1 TYR A 68 2.543 5.732 12.446 1.00 0.00 C ATOM 1103 CE2 TYR A 68 2.823 3.374 12.163 1.00 0.00 C ATOM 1104 CZ TYR A 68 2.956 4.510 12.934 1.00 0.00 C ATOM 1105 OH TYR A 68 3.505 4.428 14.197 1.00 0.00 O ATOM 0 H TYR A 68 1.030 4.748 6.451 1.00 0.00 H new ATOM 0 HA TYR A 68 2.125 6.641 8.389 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.254 5.228 9.073 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.120 3.781 8.597 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.664 6.773 10.808 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.163 2.573 10.300 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.653 6.621 13.049 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.151 2.418 12.544 1.00 0.00 H new ATOM 0 HH TYR A 68 3.743 3.497 14.390 1.00 0.00 H new ATOM 1115 N VAL A 69 4.494 5.930 8.137 1.00 0.00 N ATOM 1116 CA VAL A 69 5.887 5.515 8.131 1.00 0.00 C ATOM 1117 C VAL A 69 6.356 5.223 9.553 1.00 0.00 C ATOM 1118 O VAL A 69 6.505 6.136 10.369 1.00 0.00 O ATOM 1119 CB VAL A 69 6.799 6.589 7.500 1.00 0.00 C ATOM 1120 CG1 VAL A 69 8.239 6.112 7.452 1.00 0.00 C ATOM 1121 CG2 VAL A 69 6.313 6.950 6.103 1.00 0.00 C ATOM 0 H VAL A 69 4.351 6.931 8.274 1.00 0.00 H new ATOM 0 HA VAL A 69 5.956 4.610 7.527 1.00 0.00 H new ATOM 0 HB VAL A 69 6.754 7.482 8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.863 6.885 7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.588 5.905 8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.301 5.203 6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.968 7.708 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.326 6.061 5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.297 7.339 6.161 1.00 0.00 H new ATOM 1131 N GLY A 70 6.565 3.950 9.848 1.00 0.00 N ATOM 1132 CA GLY A 70 7.010 3.559 11.168 1.00 0.00 C ATOM 1133 C GLY A 70 7.304 2.077 11.260 1.00 0.00 C ATOM 1134 O GLY A 70 6.464 1.304 11.723 1.00 0.00 O ATOM 0 H GLY A 70 6.434 3.178 9.194 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.907 4.122 11.428 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.245 3.821 11.899 1.00 0.00 H new ATOM 1138 N GLN A 71 8.493 1.688 10.799 1.00 0.00 N ATOM 1139 CA GLN A 71 8.941 0.294 10.838 1.00 0.00 C ATOM 1140 C GLN A 71 7.965 -0.615 10.097 1.00 0.00 C ATOM 1141 O GLN A 71 7.614 -1.699 10.568 1.00 0.00 O ATOM 1142 CB GLN A 71 9.120 -0.179 12.283 1.00 0.00 C ATOM 1143 CG GLN A 71 10.167 0.615 13.052 1.00 0.00 C ATOM 1144 CD GLN A 71 11.528 0.608 12.375 1.00 0.00 C ATOM 1145 OE1 GLN A 71 11.895 -0.350 11.691 1.00 0.00 O ATOM 1146 NE2 GLN A 71 12.286 1.679 12.549 1.00 0.00 N ATOM 0 H GLN A 71 9.172 2.329 10.388 1.00 0.00 H new ATOM 0 HA GLN A 71 9.907 0.239 10.335 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.165 -0.106 12.803 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.402 -1.232 12.281 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.827 1.645 13.162 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.264 0.202 14.056 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.951 2.454 13.122 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.206 1.730 12.110 1.00 0.00 H new ATOM 1155 N VAL A 72 7.560 -0.178 8.916 1.00 0.00 N ATOM 1156 CA VAL A 72 6.591 -0.913 8.113 1.00 0.00 C ATOM 1157 C VAL A 72 7.296 -1.827 7.121 1.00 0.00 C ATOM 1158 O VAL A 72 6.707 -2.245 6.123 1.00 0.00 O ATOM 1159 CB VAL A 72 5.648 0.043 7.349 1.00 0.00 C ATOM 1160 CG1 VAL A 72 4.835 0.879 8.319 1.00 0.00 C ATOM 1161 CG2 VAL A 72 6.429 0.944 6.402 1.00 0.00 C ATOM 0 H VAL A 72 7.889 0.688 8.488 1.00 0.00 H new ATOM 0 HA VAL A 72 5.995 -1.515 8.799 1.00 0.00 H new ATOM 0 HB VAL A 72 4.966 -0.565 6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.177 1.546 7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.236 0.223 8.951 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.507 1.469 8.942 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.739 1.606 5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.142 1.540 6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.966 0.332 5.677 1.00 0.00 H new ATOM 1171 N SER A 73 8.551 -2.150 7.427 1.00 0.00 N ATOM 1172 CA SER A 73 9.395 -2.942 6.538 1.00 0.00 C ATOM 1173 C SER A 73 9.684 -2.142 5.274 1.00 0.00 C ATOM 1174 O SER A 73 9.686 -2.672 4.161 1.00 0.00 O ATOM 1175 CB SER A 73 8.736 -4.286 6.202 1.00 0.00 C ATOM 1176 OG SER A 73 8.347 -4.964 7.383 1.00 0.00 O ATOM 0 H SER A 73 9.009 -1.871 8.295 1.00 0.00 H new ATOM 0 HA SER A 73 10.335 -3.162 7.043 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.865 -4.121 5.568 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.431 -4.905 5.634 1.00 0.00 H new ATOM 0 HG SER A 73 7.927 -5.818 7.147 1.00 0.00 H new ATOM 1182 N GLU A 74 9.945 -0.858 5.470 1.00 0.00 N ATOM 1183 CA GLU A 74 10.216 0.058 4.374 1.00 0.00 C ATOM 1184 C GLU A 74 11.631 -0.145 3.840 1.00 0.00 C ATOM 1185 O GLU A 74 11.975 0.335 2.758 1.00 0.00 O ATOM 1186 CB GLU A 74 10.002 1.517 4.808 1.00 0.00 C ATOM 1187 CG GLU A 74 10.739 1.922 6.082 1.00 0.00 C ATOM 1188 CD GLU A 74 10.085 1.402 7.350 1.00 0.00 C ATOM 1189 OE1 GLU A 74 9.200 2.094 7.898 1.00 0.00 O ATOM 1190 OE2 GLU A 74 10.456 0.300 7.805 1.00 0.00 O ATOM 0 H GLU A 74 9.975 -0.423 6.392 1.00 0.00 H new ATOM 0 HA GLU A 74 9.512 -0.160 3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.320 2.173 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.935 1.685 4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.763 1.553 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.794 3.010 6.131 1.00 0.00 H new ATOM 1197 N VAL A 75 12.441 -0.858 4.606 1.00 0.00 N ATOM 1198 CA VAL A 75 13.781 -1.226 4.175 1.00 0.00 C ATOM 1199 C VAL A 75 13.760 -2.590 3.492 1.00 0.00 C ATOM 1200 O VAL A 75 13.073 -3.511 3.944 1.00 0.00 O ATOM 1201 CB VAL A 75 14.781 -1.251 5.355 1.00 0.00 C ATOM 1202 CG1 VAL A 75 15.011 0.156 5.881 1.00 0.00 C ATOM 1203 CG2 VAL A 75 14.289 -2.161 6.476 1.00 0.00 C ATOM 0 H VAL A 75 12.192 -1.196 5.536 1.00 0.00 H new ATOM 0 HA VAL A 75 14.114 -0.466 3.468 1.00 0.00 H new ATOM 0 HB VAL A 75 15.726 -1.650 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 75 15.717 0.123 6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 75 15.416 0.780 5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 75 14.065 0.575 6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 75 15.013 -2.158 7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.328 -1.800 6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.174 -3.176 6.096 1.00 0.00 H new ATOM 1213 N GLY A 76 14.494 -2.711 2.398 1.00 0.00 N ATOM 1214 CA GLY A 76 14.517 -3.954 1.659 1.00 0.00 C ATOM 1215 C GLY A 76 15.349 -3.845 0.403 1.00 0.00 C ATOM 1216 O GLY A 76 16.185 -4.705 0.128 1.00 0.00 O ATOM 0 H GLY A 76 15.075 -1.969 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.917 -4.746 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.498 -4.240 1.397 1.00 0.00 H new ATOM 1220 N SER A 77 15.114 -2.788 -0.359 1.00 0.00 N ATOM 1221 CA SER A 77 15.896 -2.506 -1.551 1.00 0.00 C ATOM 1222 C SER A 77 16.284 -1.029 -1.572 1.00 0.00 C ATOM 1223 O SER A 77 17.197 -0.649 -0.813 1.00 0.00 O ATOM 1224 CB SER A 77 15.094 -2.869 -2.808 1.00 0.00 C ATOM 1225 OG SER A 77 14.658 -4.220 -2.757 1.00 0.00 O ATOM 1226 OXT SER A 77 15.655 -0.253 -2.317 1.00 0.00 O ATOM 0 H SER A 77 14.380 -2.106 -0.170 1.00 0.00 H new ATOM 0 HA SER A 77 16.804 -3.110 -1.537 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.232 -2.208 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.709 -2.714 -3.694 1.00 0.00 H new ATOM 0 HG SER A 77 14.148 -4.430 -3.567 1.00 0.00 H new TER 1232 SER A 77