USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 72:sc= 0.216 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 100:sc= 0.972 USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= 0.671 (180deg=-1.68!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.8) USER MOD Single : A 48 GLN : amide:sc= -1.7! X(o=-1.7!,f=-1.7) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= -0.0134 (180deg=-0.222) USER MOD Single : A 57 LYS NZ :NH3+ 140:sc= 1 (180deg=0.0509) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc=-0.00373 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= -0.016 (180deg=-0.285) USER MOD Single : A 67 HIS : no HE2:sc= 0.74 K(o=0.74,f=-2.6!) USER MOD Single : A 75 ASN : amide:sc= -5.91! C(o=-5.9!,f=-9.6!) USER MOD Single : A 82 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.36) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -123:sc= 0 (180deg=-0.112) USER MOD Single : A 87 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-1.7) USER MOD Single : A 91 LYS NZ :NH3+ 177:sc= -2.71! (180deg=-2.81!) USER MOD Single : A 97 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.077) USER MOD Single : A 99 MET CE :methyl 160:sc= -0.0883 (180deg=-0.851) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 -18.513 -17.702 3.753 1.00 0.00 N ATOM 2 CA LYS A 15 -17.526 -18.261 2.785 1.00 0.00 C ATOM 3 C LYS A 15 -18.068 -18.102 1.368 1.00 0.00 C ATOM 4 O LYS A 15 -18.096 -16.988 0.844 1.00 0.00 O ATOM 5 CB LYS A 15 -17.264 -19.734 3.124 1.00 0.00 C ATOM 6 CG LYS A 15 -16.652 -19.862 4.526 1.00 0.00 C ATOM 7 CD LYS A 15 -15.274 -19.195 4.574 1.00 0.00 C ATOM 8 CE LYS A 15 -14.680 -19.335 5.977 1.00 0.00 C ATOM 9 NZ LYS A 15 -13.331 -18.701 6.006 1.00 0.00 N ATOM 0 HA LYS A 15 -16.580 -17.723 2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.197 -20.296 3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.591 -20.169 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.312 -19.400 5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.562 -20.914 4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.611 -19.655 3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.360 -18.141 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.333 -18.861 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.606 -20.388 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.924 -18.794 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.711 -19.172 5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.416 -17.693 5.763 1.00 0.00 H new ATOM 23 N GLU A 16 -18.601 -19.179 0.796 1.00 0.00 N ATOM 24 CA GLU A 16 -19.143 -19.121 -0.558 1.00 0.00 C ATOM 25 C GLU A 16 -20.367 -18.209 -0.591 1.00 0.00 C ATOM 26 O GLU A 16 -20.627 -17.559 -1.599 1.00 0.00 O ATOM 27 CB GLU A 16 -19.532 -20.523 -1.039 1.00 0.00 C ATOM 28 CG GLU A 16 -18.276 -21.382 -1.221 1.00 0.00 C ATOM 29 CD GLU A 16 -18.613 -22.821 -1.622 1.00 0.00 C ATOM 30 OE1 GLU A 16 -19.770 -23.201 -1.530 1.00 0.00 O ATOM 31 OE2 GLU A 16 -17.677 -23.585 -1.799 1.00 0.00 O ATOM 0 H GLU A 16 -18.669 -20.093 1.244 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.376 -18.721 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.201 -20.991 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.076 -20.455 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.639 -20.934 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.705 -21.389 -0.292 1.00 0.00 H new ATOM 38 N ARG A 17 -21.179 -18.278 0.465 1.00 0.00 N ATOM 39 CA ARG A 17 -22.442 -17.544 0.510 1.00 0.00 C ATOM 40 C ARG A 17 -22.217 -16.037 0.470 1.00 0.00 C ATOM 41 O ARG A 17 -22.816 -15.338 -0.343 1.00 0.00 O ATOM 42 CB ARG A 17 -23.125 -17.843 1.846 1.00 0.00 C ATOM 43 CG ARG A 17 -23.636 -19.285 1.878 1.00 0.00 C ATOM 44 CD ARG A 17 -24.201 -19.574 3.273 1.00 0.00 C ATOM 45 NE ARG A 17 -25.349 -18.718 3.550 1.00 0.00 N ATOM 46 CZ ARG A 17 -26.582 -19.057 3.202 1.00 0.00 C ATOM 47 NH1 ARG A 17 -26.822 -20.202 2.632 1.00 0.00 N ATOM 48 NH2 ARG A 17 -27.577 -18.307 3.565 1.00 0.00 N ATOM 0 H ARG A 17 -20.984 -18.834 1.298 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.038 -17.851 -0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -22.423 -17.682 2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.955 -17.154 1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.406 -19.430 1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -22.827 -19.978 1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -24.496 -20.621 3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -23.429 -19.411 4.025 1.00 0.00 H new ATOM 0 HE ARG A 17 -25.198 -17.829 4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -26.057 -20.851 2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -27.776 -20.451 2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -27.407 -17.464 4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -28.529 -18.560 3.302 1.00 0.00 H new ATOM 62 N ILE A 18 -21.234 -15.571 1.240 1.00 0.00 N ATOM 63 CA ILE A 18 -20.854 -14.159 1.220 1.00 0.00 C ATOM 64 C ILE A 18 -20.195 -13.779 -0.107 1.00 0.00 C ATOM 65 O ILE A 18 -20.271 -12.626 -0.520 1.00 0.00 O ATOM 66 CB ILE A 18 -19.994 -13.816 2.448 1.00 0.00 C ATOM 67 CG1 ILE A 18 -19.812 -12.297 2.548 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.626 -14.503 2.378 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.244 -11.935 3.922 1.00 0.00 C ATOM 0 H ILE A 18 -20.689 -16.147 1.882 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.755 -13.549 1.288 1.00 0.00 H new ATOM 0 HB ILE A 18 -20.510 -14.180 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -19.141 -11.949 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -20.768 -11.796 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.042 -14.241 3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.763 -15.584 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -18.099 -14.174 1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -19.116 -10.855 3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -19.932 -12.268 4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.279 -12.424 4.057 1.00 0.00 H new ATOM 81 N ASP A 19 -19.350 -14.676 -0.609 1.00 0.00 N ATOM 82 CA ASP A 19 -18.584 -14.434 -1.831 1.00 0.00 C ATOM 83 C ASP A 19 -19.491 -14.289 -3.053 1.00 0.00 C ATOM 84 O ASP A 19 -19.224 -13.482 -3.937 1.00 0.00 O ATOM 85 CB ASP A 19 -17.628 -15.613 -2.062 1.00 0.00 C ATOM 86 CG ASP A 19 -16.313 -15.468 -1.293 1.00 0.00 C ATOM 87 OD1 ASP A 19 -15.983 -14.366 -0.874 1.00 0.00 O ATOM 88 OD2 ASP A 19 -15.537 -16.413 -1.324 1.00 0.00 O ATOM 0 H ASP A 19 -19.177 -15.587 -0.184 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.034 -13.501 -1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.120 -16.538 -1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.413 -15.698 -3.127 1.00 0.00 H new ATOM 93 N ILE A 20 -20.571 -15.077 -3.104 1.00 0.00 N ATOM 94 CA ILE A 20 -21.604 -14.886 -4.128 1.00 0.00 C ATOM 95 C ILE A 20 -22.301 -13.538 -3.954 1.00 0.00 C ATOM 96 O ILE A 20 -22.536 -12.816 -4.922 1.00 0.00 O ATOM 97 CB ILE A 20 -22.655 -16.008 -4.023 1.00 0.00 C ATOM 98 CG1 ILE A 20 -22.019 -17.343 -4.428 1.00 0.00 C ATOM 99 CG2 ILE A 20 -23.833 -15.701 -4.956 1.00 0.00 C ATOM 100 CD1 ILE A 20 -22.949 -18.497 -4.060 1.00 0.00 C ATOM 0 H ILE A 20 -20.751 -15.844 -2.456 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.122 -14.913 -5.105 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.014 -16.071 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -21.822 -17.351 -5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -21.059 -17.465 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -24.575 -16.496 -4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.287 -14.753 -4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -23.476 -15.636 -5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -22.490 -19.442 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -23.123 -18.495 -2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -23.899 -18.379 -4.582 1.00 0.00 H new ATOM 112 N LEU A 21 -22.620 -13.214 -2.705 1.00 0.00 N ATOM 113 CA LEU A 21 -23.250 -11.944 -2.362 1.00 0.00 C ATOM 114 C LEU A 21 -22.310 -10.791 -2.728 1.00 0.00 C ATOM 115 O LEU A 21 -22.748 -9.754 -3.223 1.00 0.00 O ATOM 116 CB LEU A 21 -23.621 -11.908 -0.873 1.00 0.00 C ATOM 117 CG LEU A 21 -24.690 -10.832 -0.645 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.536 -11.210 0.572 1.00 0.00 C ATOM 119 CD2 LEU A 21 -24.046 -9.462 -0.418 1.00 0.00 C ATOM 0 H LEU A 21 -22.450 -13.822 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.173 -11.835 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -23.994 -12.882 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -22.738 -11.694 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 21 -25.320 -10.772 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -26.297 -10.447 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -26.018 -12.171 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -24.896 -11.281 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -24.825 -8.716 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -23.399 -9.505 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -23.455 -9.189 -1.292 1.00 0.00 H new ATOM 131 N PHE A 22 -21.024 -10.992 -2.457 1.00 0.00 N ATOM 132 CA PHE A 22 -19.990 -10.009 -2.752 1.00 0.00 C ATOM 133 C PHE A 22 -19.980 -9.677 -4.244 1.00 0.00 C ATOM 134 O PHE A 22 -19.777 -8.521 -4.618 1.00 0.00 O ATOM 135 CB PHE A 22 -18.631 -10.591 -2.339 1.00 0.00 C ATOM 136 CG PHE A 22 -17.507 -9.629 -2.659 1.00 0.00 C ATOM 137 CD1 PHE A 22 -17.281 -8.505 -1.854 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.704 -9.854 -3.784 1.00 0.00 C ATOM 139 CE1 PHE A 22 -16.105 -7.765 -2.021 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.605 -9.026 -4.024 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.223 -8.087 -3.062 1.00 0.00 C ATOM 0 H PHE A 22 -20.670 -11.845 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 22 -20.190 -9.091 -2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.635 -10.809 -1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.464 -11.536 -2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -18.008 -8.212 -1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.933 -10.663 -4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.878 -6.949 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.053 -9.111 -4.948 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.255 -7.612 -3.120 1.00 0.00 H new ATOM 151 N SER A 23 -20.061 -10.702 -5.086 1.00 0.00 N ATOM 152 CA SER A 23 -20.118 -10.490 -6.530 1.00 0.00 C ATOM 153 C SER A 23 -21.329 -9.641 -6.917 1.00 0.00 C ATOM 154 O SER A 23 -21.251 -8.845 -7.850 1.00 0.00 O ATOM 155 CB SER A 23 -20.206 -11.843 -7.240 1.00 0.00 C ATOM 156 OG SER A 23 -19.052 -12.613 -6.936 1.00 0.00 O ATOM 0 H SER A 23 -20.089 -11.680 -4.798 1.00 0.00 H new ATOM 0 HA SER A 23 -19.214 -9.962 -6.833 1.00 0.00 H new ATOM 0 HB2 SER A 23 -21.104 -12.374 -6.924 1.00 0.00 H new ATOM 0 HB3 SER A 23 -20.285 -11.696 -8.317 1.00 0.00 H new ATOM 0 HG SER A 23 -19.100 -12.922 -6.007 1.00 0.00 H new ATOM 162 N LEU A 24 -22.477 -9.919 -6.301 1.00 0.00 N ATOM 163 CA LEU A 24 -23.704 -9.170 -6.577 1.00 0.00 C ATOM 164 C LEU A 24 -23.548 -7.705 -6.186 1.00 0.00 C ATOM 165 O LEU A 24 -23.785 -6.819 -7.006 1.00 0.00 O ATOM 166 CB LEU A 24 -24.888 -9.772 -5.817 1.00 0.00 C ATOM 167 CG LEU A 24 -25.244 -11.142 -6.401 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.256 -11.834 -5.484 1.00 0.00 C ATOM 169 CD2 LEU A 24 -25.845 -10.969 -7.799 1.00 0.00 C ATOM 0 H LEU A 24 -22.584 -10.658 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.894 -9.234 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.640 -9.871 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.748 -9.106 -5.881 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.343 -11.752 -6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.512 -12.810 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -25.821 -11.961 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.156 -11.224 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.097 -11.947 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -26.746 -10.359 -7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.120 -10.478 -8.448 1.00 0.00 H new ATOM 181 N ALA A 25 -22.915 -7.480 -5.036 1.00 0.00 N ATOM 182 CA ALA A 25 -22.642 -6.125 -4.568 1.00 0.00 C ATOM 183 C ALA A 25 -21.722 -5.414 -5.555 1.00 0.00 C ATOM 184 O ALA A 25 -21.776 -4.194 -5.689 1.00 0.00 O ATOM 185 CB ALA A 25 -21.985 -6.157 -3.185 1.00 0.00 C ATOM 0 H ALA A 25 -22.583 -8.217 -4.414 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.586 -5.585 -4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.789 -5.138 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.652 -6.648 -2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -21.046 -6.708 -3.241 1.00 0.00 H new ATOM 191 N GLU A 26 -20.780 -6.166 -6.112 1.00 0.00 N ATOM 192 CA GLU A 26 -19.856 -5.611 -7.097 1.00 0.00 C ATOM 193 C GLU A 26 -20.566 -5.196 -8.389 1.00 0.00 C ATOM 194 O GLU A 26 -20.042 -4.341 -9.093 1.00 0.00 O ATOM 195 CB GLU A 26 -18.761 -6.647 -7.388 1.00 0.00 C ATOM 196 CG GLU A 26 -17.715 -6.082 -8.357 1.00 0.00 C ATOM 197 CD GLU A 26 -16.584 -7.079 -8.612 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.722 -8.235 -8.243 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.622 -6.686 -9.253 1.00 0.00 O ATOM 0 H GLU A 26 -20.635 -7.154 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.413 -4.705 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.278 -6.942 -6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.209 -7.545 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.195 -5.826 -9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.302 -5.159 -7.949 1.00 0.00 H new ATOM 206 N ARG A 27 -21.505 -6.009 -8.875 1.00 0.00 N ATOM 207 CA ARG A 27 -22.234 -5.650 -10.095 1.00 0.00 C ATOM 208 C ARG A 27 -23.090 -4.393 -9.940 1.00 0.00 C ATOM 209 O ARG A 27 -23.200 -3.593 -10.869 1.00 0.00 O ATOM 210 CB ARG A 27 -23.185 -6.789 -10.482 1.00 0.00 C ATOM 211 CG ARG A 27 -22.399 -7.990 -11.008 1.00 0.00 C ATOM 212 CD ARG A 27 -23.375 -9.121 -11.337 1.00 0.00 C ATOM 213 NE ARG A 27 -22.646 -10.271 -11.857 1.00 0.00 N ATOM 214 CZ ARG A 27 -23.254 -11.422 -12.101 1.00 0.00 C ATOM 215 NH1 ARG A 27 -24.505 -11.602 -11.798 1.00 0.00 N ATOM 216 NH2 ARG A 27 -22.553 -12.429 -12.522 1.00 0.00 N ATOM 0 H ARG A 27 -21.775 -6.899 -8.456 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.474 -5.466 -10.854 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -23.777 -7.086 -9.616 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -23.884 -6.443 -11.243 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -21.834 -7.710 -11.897 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -21.676 -8.322 -10.263 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -23.930 -9.405 -10.443 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -24.105 -8.781 -12.071 1.00 0.00 H new ATOM 0 HE ARG A 27 -21.645 -10.187 -12.037 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -25.038 -10.849 -11.364 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -24.954 -12.497 -11.995 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -21.548 -12.328 -12.661 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -23.007 -13.322 -12.714 1.00 0.00 H new ATOM 230 N VAL A 28 -23.806 -4.321 -8.825 1.00 0.00 N ATOM 231 CA VAL A 28 -24.660 -3.178 -8.524 1.00 0.00 C ATOM 232 C VAL A 28 -23.813 -1.926 -8.301 1.00 0.00 C ATOM 233 O VAL A 28 -24.305 -0.805 -8.414 1.00 0.00 O ATOM 234 CB VAL A 28 -25.568 -3.507 -7.331 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.736 -3.805 -6.083 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.510 -2.333 -7.044 1.00 0.00 C ATOM 0 H VAL A 28 -23.812 -5.047 -8.109 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.310 -2.966 -9.373 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.154 -4.390 -7.585 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.400 -4.036 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -24.085 -4.658 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -24.130 -2.934 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.149 -2.578 -6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.923 -1.444 -6.811 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.129 -2.140 -7.921 1.00 0.00 H new ATOM 246 N PHE A 29 -22.661 -2.152 -7.677 1.00 0.00 N ATOM 247 CA PHE A 29 -21.772 -1.082 -7.243 1.00 0.00 C ATOM 248 C PHE A 29 -21.537 -0.041 -8.344 1.00 0.00 C ATOM 249 O PHE A 29 -21.948 1.109 -8.177 1.00 0.00 O ATOM 250 CB PHE A 29 -20.477 -1.744 -6.753 1.00 0.00 C ATOM 251 CG PHE A 29 -19.325 -0.777 -6.641 1.00 0.00 C ATOM 252 CD1 PHE A 29 -19.501 0.418 -5.944 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.030 -1.306 -6.757 1.00 0.00 C ATOM 254 CE1 PHE A 29 -18.399 1.240 -5.724 1.00 0.00 C ATOM 255 CE2 PHE A 29 -16.938 -0.594 -6.252 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.126 0.677 -5.711 1.00 0.00 C ATOM 0 H PHE A 29 -22.317 -3.087 -7.458 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.224 -0.514 -6.430 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.655 -2.202 -5.780 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.205 -2.547 -7.438 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -20.478 0.702 -5.580 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.877 -2.262 -7.236 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -18.530 2.300 -5.566 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -15.950 -1.028 -6.281 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.294 1.219 -5.287 1.00 0.00 H new ATOM 266 N PRO A 30 -21.003 -0.417 -9.521 1.00 0.00 N ATOM 267 CA PRO A 30 -20.935 0.516 -10.685 1.00 0.00 C ATOM 268 C PRO A 30 -22.300 0.994 -11.170 1.00 0.00 C ATOM 269 O PRO A 30 -22.399 2.055 -11.784 1.00 0.00 O ATOM 270 CB PRO A 30 -20.249 -0.308 -11.778 1.00 0.00 C ATOM 271 CG PRO A 30 -20.500 -1.734 -11.419 1.00 0.00 C ATOM 272 CD PRO A 30 -20.592 -1.781 -9.892 1.00 0.00 C ATOM 0 HA PRO A 30 -20.406 1.429 -10.414 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.657 -0.073 -12.761 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.181 -0.095 -11.817 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.422 -2.094 -11.876 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.695 -2.374 -11.780 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.318 -2.522 -9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.635 -2.047 -9.442 1.00 0.00 H new ATOM 280 N TYR A 31 -23.302 0.125 -11.057 1.00 0.00 N ATOM 281 CA TYR A 31 -24.624 0.432 -11.593 1.00 0.00 C ATOM 282 C TYR A 31 -25.234 1.648 -10.889 1.00 0.00 C ATOM 283 O TYR A 31 -25.817 2.521 -11.527 1.00 0.00 O ATOM 284 CB TYR A 31 -25.538 -0.789 -11.464 1.00 0.00 C ATOM 285 CG TYR A 31 -26.926 -0.439 -11.947 1.00 0.00 C ATOM 286 CD1 TYR A 31 -27.181 -0.371 -13.325 1.00 0.00 C ATOM 287 CD2 TYR A 31 -27.950 -0.177 -11.041 1.00 0.00 C ATOM 288 CE1 TYR A 31 -28.486 -0.195 -13.784 1.00 0.00 C ATOM 289 CE2 TYR A 31 -29.246 0.067 -11.503 1.00 0.00 C ATOM 290 CZ TYR A 31 -29.522 0.023 -12.873 1.00 0.00 C ATOM 291 OH TYR A 31 -30.781 0.349 -13.332 1.00 0.00 O ATOM 0 H TYR A 31 -23.225 -0.786 -10.605 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.520 0.680 -12.649 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.138 -1.618 -12.047 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -25.576 -1.119 -10.426 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.367 -0.455 -14.030 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.743 -0.162 -9.981 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -28.695 -0.227 -14.843 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -30.036 0.290 -10.801 1.00 0.00 H new ATOM 0 HH TYR A 31 -31.387 0.466 -12.570 1.00 0.00 H new ATOM 301 N SER A 32 -25.165 1.624 -9.560 1.00 0.00 N ATOM 302 CA SER A 32 -25.799 2.636 -8.719 1.00 0.00 C ATOM 303 C SER A 32 -25.240 2.555 -7.304 1.00 0.00 C ATOM 304 O SER A 32 -25.363 1.517 -6.655 1.00 0.00 O ATOM 305 CB SER A 32 -27.312 2.414 -8.645 1.00 0.00 C ATOM 306 OG SER A 32 -27.923 2.763 -9.878 1.00 0.00 O ATOM 0 H SER A 32 -24.668 0.903 -9.036 1.00 0.00 H new ATOM 0 HA SER A 32 -25.594 3.612 -9.159 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.522 1.371 -8.410 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.735 3.014 -7.839 1.00 0.00 H new ATOM 0 HG SER A 32 -28.091 1.952 -10.401 1.00 0.00 H new ATOM 312 N PRO A 33 -24.557 3.603 -6.823 1.00 0.00 N ATOM 313 CA PRO A 33 -23.984 3.596 -5.447 1.00 0.00 C ATOM 314 C PRO A 33 -25.032 3.279 -4.381 1.00 0.00 C ATOM 315 O PRO A 33 -24.805 2.408 -3.545 1.00 0.00 O ATOM 316 CB PRO A 33 -23.441 5.019 -5.269 1.00 0.00 C ATOM 317 CG PRO A 33 -23.197 5.525 -6.652 1.00 0.00 C ATOM 318 CD PRO A 33 -24.233 4.843 -7.550 1.00 0.00 C ATOM 0 HA PRO A 33 -23.223 2.825 -5.331 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -24.156 5.649 -4.740 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.522 5.019 -4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.301 6.609 -6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.184 5.289 -6.979 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -25.115 5.468 -7.691 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.829 4.633 -8.541 1.00 0.00 H new ATOM 326 N GLU A 34 -26.235 3.840 -4.543 1.00 0.00 N ATOM 327 CA GLU A 34 -27.306 3.659 -3.565 1.00 0.00 C ATOM 328 C GLU A 34 -27.804 2.216 -3.522 1.00 0.00 C ATOM 329 O GLU A 34 -28.215 1.737 -2.469 1.00 0.00 O ATOM 330 CB GLU A 34 -28.484 4.584 -3.898 1.00 0.00 C ATOM 331 CG GLU A 34 -28.088 6.048 -3.678 1.00 0.00 C ATOM 332 CD GLU A 34 -29.214 7.001 -4.085 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.263 6.529 -4.496 1.00 0.00 O ATOM 334 OE2 GLU A 34 -29.076 8.182 -3.813 1.00 0.00 O ATOM 0 H GLU A 34 -26.488 4.422 -5.342 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.894 3.908 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.791 4.435 -4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -29.340 4.334 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -27.839 6.205 -2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -27.192 6.274 -4.256 1.00 0.00 H new ATOM 341 N LEU A 35 -27.967 1.603 -4.693 1.00 0.00 N ATOM 342 CA LEU A 35 -28.425 0.217 -4.759 1.00 0.00 C ATOM 343 C LEU A 35 -27.410 -0.713 -4.103 1.00 0.00 C ATOM 344 O LEU A 35 -27.737 -1.417 -3.148 1.00 0.00 O ATOM 345 CB LEU A 35 -28.681 -0.199 -6.210 1.00 0.00 C ATOM 346 CG LEU A 35 -29.907 0.539 -6.760 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.021 0.288 -8.266 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.176 0.039 -6.061 1.00 0.00 C ATOM 0 H LEU A 35 -27.791 2.038 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.365 0.139 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.807 0.026 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.840 -1.276 -6.265 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.794 1.607 -6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.893 0.813 -8.657 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.123 0.653 -8.765 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.128 -0.781 -8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.042 0.568 -6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.292 -1.030 -6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.098 0.223 -4.989 1.00 0.00 H new ATOM 360 N ALA A 36 -26.142 -0.428 -4.387 1.00 0.00 N ATOM 361 CA ALA A 36 -25.020 -1.172 -3.823 1.00 0.00 C ATOM 362 C ALA A 36 -24.978 -1.021 -2.308 1.00 0.00 C ATOM 363 O ALA A 36 -24.856 -2.010 -1.589 1.00 0.00 O ATOM 364 CB ALA A 36 -23.705 -0.677 -4.427 1.00 0.00 C ATOM 0 H ALA A 36 -25.863 0.326 -5.015 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.154 -2.226 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.874 -1.238 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.723 -0.822 -5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.579 0.383 -4.205 1.00 0.00 H new ATOM 370 N LYS A 37 -25.341 0.171 -1.851 1.00 0.00 N ATOM 371 CA LYS A 37 -25.420 0.455 -0.427 1.00 0.00 C ATOM 372 C LYS A 37 -26.428 -0.459 0.267 1.00 0.00 C ATOM 373 O LYS A 37 -26.182 -0.916 1.381 1.00 0.00 O ATOM 374 CB LYS A 37 -25.795 1.932 -0.249 1.00 0.00 C ATOM 375 CG LYS A 37 -25.893 2.293 1.235 1.00 0.00 C ATOM 376 CD LYS A 37 -24.549 2.116 1.949 1.00 0.00 C ATOM 377 CE LYS A 37 -24.615 2.799 3.318 1.00 0.00 C ATOM 378 NZ LYS A 37 -24.323 1.801 4.383 1.00 0.00 N ATOM 0 H LYS A 37 -25.586 0.959 -2.451 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.453 0.263 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.049 2.562 -0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.747 2.132 -0.740 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -26.227 3.326 1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -26.645 1.666 1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -24.323 1.056 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -23.746 2.548 1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -23.896 3.617 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -25.603 3.234 3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -23.953 2.289 5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -25.196 1.294 4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.615 1.122 4.038 1.00 0.00 H new ATOM 392 N ARG A 38 -27.590 -0.652 -0.348 1.00 0.00 N ATOM 393 CA ARG A 38 -28.590 -1.562 0.207 1.00 0.00 C ATOM 394 C ARG A 38 -28.069 -2.998 0.271 1.00 0.00 C ATOM 395 O ARG A 38 -28.080 -3.606 1.339 1.00 0.00 O ATOM 396 CB ARG A 38 -29.840 -1.506 -0.673 1.00 0.00 C ATOM 397 CG ARG A 38 -30.957 -2.375 -0.090 1.00 0.00 C ATOM 398 CD ARG A 38 -32.175 -2.298 -1.013 1.00 0.00 C ATOM 399 NE ARG A 38 -32.725 -0.947 -0.984 1.00 0.00 N ATOM 400 CZ ARG A 38 -33.736 -0.585 -1.761 1.00 0.00 C ATOM 401 NH1 ARG A 38 -34.268 -1.444 -2.582 1.00 0.00 N ATOM 402 NH2 ARG A 38 -34.022 0.676 -1.882 1.00 0.00 N ATOM 0 H ARG A 38 -27.862 -0.198 -1.220 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.822 -1.250 1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -30.183 -0.475 -0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -29.597 -1.846 -1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.621 -3.407 0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -31.219 -2.031 0.910 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -31.890 -2.564 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -32.931 -3.016 -0.695 1.00 0.00 H new ATOM 0 HE ARG A 38 -32.320 -0.261 -0.347 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -33.907 -2.397 -2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -35.046 -1.164 -3.179 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -33.471 1.374 -1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -34.797 0.968 -2.477 1.00 0.00 H new ATOM 416 N TYR A 39 -27.408 -3.435 -0.800 1.00 0.00 N ATOM 417 CA TYR A 39 -26.771 -4.753 -0.826 1.00 0.00 C ATOM 418 C TYR A 39 -25.655 -4.873 0.211 1.00 0.00 C ATOM 419 O TYR A 39 -25.318 -5.983 0.618 1.00 0.00 O ATOM 420 CB TYR A 39 -26.265 -5.096 -2.234 1.00 0.00 C ATOM 421 CG TYR A 39 -27.439 -5.397 -3.140 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.033 -6.668 -3.097 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.887 -4.454 -4.072 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.116 -6.971 -3.929 1.00 0.00 C ATOM 425 CE2 TYR A 39 -28.959 -4.767 -4.922 1.00 0.00 C ATOM 426 CZ TYR A 39 -29.620 -5.997 -4.797 1.00 0.00 C ATOM 427 OH TYR A 39 -30.805 -6.221 -5.469 1.00 0.00 O ATOM 0 H TYR A 39 -27.299 -2.898 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.534 -5.483 -0.556 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.687 -4.263 -2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.597 -5.956 -2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -27.652 -7.416 -2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.409 -3.488 -4.137 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -29.562 -7.954 -3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.275 -4.059 -5.674 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.015 -5.445 -6.030 1.00 0.00 H new ATOM 437 N VAL A 40 -24.882 -3.802 0.351 1.00 0.00 N ATOM 438 CA VAL A 40 -23.760 -3.776 1.283 1.00 0.00 C ATOM 439 C VAL A 40 -24.198 -3.957 2.734 1.00 0.00 C ATOM 440 O VAL A 40 -23.718 -4.866 3.407 1.00 0.00 O ATOM 441 CB VAL A 40 -23.045 -2.430 1.129 1.00 0.00 C ATOM 442 CG1 VAL A 40 -22.064 -2.216 2.282 1.00 0.00 C ATOM 443 CG2 VAL A 40 -22.268 -2.405 -0.192 1.00 0.00 C ATOM 0 H VAL A 40 -25.013 -2.936 -0.172 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.098 -4.609 1.046 1.00 0.00 H new ATOM 0 HB VAL A 40 -23.793 -1.637 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.563 -1.256 2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.606 -2.225 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.322 -3.015 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.761 -1.446 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.531 -3.208 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.959 -2.544 -1.023 1.00 0.00 H new ATOM 453 N GLU A 41 -25.243 -3.239 3.137 1.00 0.00 N ATOM 454 CA GLU A 41 -25.726 -3.314 4.514 1.00 0.00 C ATOM 455 C GLU A 41 -26.268 -4.715 4.771 1.00 0.00 C ATOM 456 O GLU A 41 -25.867 -5.378 5.729 1.00 0.00 O ATOM 457 CB GLU A 41 -26.827 -2.280 4.765 1.00 0.00 C ATOM 458 CG GLU A 41 -26.223 -0.871 4.714 1.00 0.00 C ATOM 459 CD GLU A 41 -27.278 0.225 4.880 1.00 0.00 C ATOM 460 OE1 GLU A 41 -28.449 -0.093 5.018 1.00 0.00 O ATOM 461 OE2 GLU A 41 -26.873 1.360 5.073 1.00 0.00 O ATOM 0 H GLU A 41 -25.768 -2.604 2.536 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.899 -3.100 5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -27.612 -2.379 4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -27.290 -2.454 5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -25.474 -0.772 5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -25.708 -0.734 3.763 1.00 0.00 H new ATOM 468 N LEU A 42 -26.870 -5.247 3.713 1.00 0.00 N ATOM 469 CA LEU A 42 -27.247 -6.652 3.648 1.00 0.00 C ATOM 470 C LEU A 42 -26.042 -7.585 3.736 1.00 0.00 C ATOM 471 O LEU A 42 -26.089 -8.567 4.471 1.00 0.00 O ATOM 472 CB LEU A 42 -28.001 -6.851 2.329 1.00 0.00 C ATOM 473 CG LEU A 42 -28.322 -8.323 2.044 1.00 0.00 C ATOM 474 CD1 LEU A 42 -29.216 -8.926 3.130 1.00 0.00 C ATOM 475 CD2 LEU A 42 -29.050 -8.407 0.700 1.00 0.00 C ATOM 0 H LEU A 42 -27.110 -4.715 2.876 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.874 -6.904 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.929 -6.280 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.404 -6.449 1.510 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.388 -8.884 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.422 -9.970 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.710 -8.865 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -30.154 -8.373 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.287 -9.448 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.972 -7.827 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.410 -8.006 -0.086 1.00 0.00 H new ATOM 487 N ALA A 43 -24.960 -7.267 3.033 1.00 0.00 N ATOM 488 CA ALA A 43 -23.784 -8.132 3.074 1.00 0.00 C ATOM 489 C ALA A 43 -23.166 -8.175 4.471 1.00 0.00 C ATOM 490 O ALA A 43 -22.804 -9.247 4.954 1.00 0.00 O ATOM 491 CB ALA A 43 -22.735 -7.647 2.070 1.00 0.00 C ATOM 0 H ALA A 43 -24.871 -6.440 2.443 1.00 0.00 H new ATOM 0 HA ALA A 43 -24.109 -9.139 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.863 -8.300 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.157 -7.666 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.437 -6.628 2.319 1.00 0.00 H new ATOM 497 N LEU A 44 -23.104 -7.021 5.136 1.00 0.00 N ATOM 498 CA LEU A 44 -22.618 -6.961 6.514 1.00 0.00 C ATOM 499 C LEU A 44 -23.504 -7.741 7.480 1.00 0.00 C ATOM 500 O LEU A 44 -22.996 -8.431 8.362 1.00 0.00 O ATOM 501 CB LEU A 44 -22.470 -5.508 6.985 1.00 0.00 C ATOM 502 CG LEU A 44 -21.139 -4.900 6.513 1.00 0.00 C ATOM 503 CD1 LEU A 44 -19.971 -5.582 7.234 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.949 -5.025 4.997 1.00 0.00 C ATOM 0 H LEU A 44 -23.382 -6.121 4.746 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.636 -7.435 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -23.300 -4.913 6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -22.525 -5.469 8.073 1.00 0.00 H new ATOM 0 HG LEU A 44 -21.162 -3.838 6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.031 -5.147 6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.072 -5.436 8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.979 -6.649 7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.995 -4.581 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -20.958 -6.078 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -21.758 -4.505 4.485 1.00 0.00 H new ATOM 516 N LEU A 45 -24.822 -7.624 7.324 1.00 0.00 N ATOM 517 CA LEU A 45 -25.746 -8.370 8.176 1.00 0.00 C ATOM 518 C LEU A 45 -25.568 -9.871 7.973 1.00 0.00 C ATOM 519 O LEU A 45 -25.825 -10.655 8.879 1.00 0.00 O ATOM 520 CB LEU A 45 -27.200 -7.986 7.883 1.00 0.00 C ATOM 521 CG LEU A 45 -27.540 -6.647 8.548 1.00 0.00 C ATOM 522 CD1 LEU A 45 -28.927 -6.193 8.085 1.00 0.00 C ATOM 523 CD2 LEU A 45 -27.539 -6.790 10.075 1.00 0.00 C ATOM 0 H LEU A 45 -25.269 -7.029 6.626 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.518 -8.115 9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -27.355 -7.915 6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -27.870 -8.763 8.251 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.789 -5.911 8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -29.174 -5.241 8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -28.928 -6.074 7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -29.668 -6.941 8.368 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -27.782 -5.830 10.530 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -28.281 -7.531 10.372 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -26.553 -7.111 10.410 1.00 0.00 H new ATOM 535 N VAL A 46 -25.396 -10.255 6.716 1.00 0.00 N ATOM 536 CA VAL A 46 -25.149 -11.647 6.365 1.00 0.00 C ATOM 537 C VAL A 46 -23.834 -12.120 6.981 1.00 0.00 C ATOM 538 O VAL A 46 -23.762 -13.218 7.533 1.00 0.00 O ATOM 539 CB VAL A 46 -25.133 -11.789 4.838 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.645 -13.184 4.431 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.553 -11.575 4.305 1.00 0.00 C ATOM 0 H VAL A 46 -25.423 -9.619 5.919 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.946 -12.275 6.764 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.454 -11.046 4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.641 -13.265 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.635 -13.341 4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -25.311 -13.939 4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.553 -11.674 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -27.220 -12.321 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.898 -10.578 4.578 1.00 0.00 H new ATOM 551 N GLN A 47 -22.797 -11.292 6.870 1.00 0.00 N ATOM 552 CA GLN A 47 -21.456 -11.687 7.290 1.00 0.00 C ATOM 553 C GLN A 47 -21.396 -11.947 8.796 1.00 0.00 C ATOM 554 O GLN A 47 -20.704 -12.866 9.235 1.00 0.00 O ATOM 555 CB GLN A 47 -20.482 -10.558 6.926 1.00 0.00 C ATOM 556 CG GLN A 47 -19.041 -10.947 7.275 1.00 0.00 C ATOM 557 CD GLN A 47 -18.088 -9.796 6.961 1.00 0.00 C ATOM 558 OE1 GLN A 47 -18.389 -8.643 7.270 1.00 0.00 O ATOM 559 NE2 GLN A 47 -16.851 -10.059 6.632 1.00 0.00 N ATOM 0 H GLN A 47 -22.860 -10.346 6.494 1.00 0.00 H new ATOM 0 HA GLN A 47 -21.185 -12.612 6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.556 -10.337 5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.757 -9.648 7.460 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.973 -11.206 8.332 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.750 -11.833 6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.583 -11.008 6.373 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -16.153 -9.315 6.634 1.00 0.00 H new ATOM 568 N GLN A 48 -22.012 -11.068 9.583 1.00 0.00 N ATOM 569 CA GLN A 48 -22.021 -11.239 11.035 1.00 0.00 C ATOM 570 C GLN A 48 -22.823 -12.474 11.448 1.00 0.00 C ATOM 571 O GLN A 48 -22.365 -13.276 12.263 1.00 0.00 O ATOM 572 CB GLN A 48 -22.564 -9.974 11.714 1.00 0.00 C ATOM 573 CG GLN A 48 -24.041 -9.768 11.364 1.00 0.00 C ATOM 574 CD GLN A 48 -24.576 -8.478 11.977 1.00 0.00 C ATOM 575 OE1 GLN A 48 -23.815 -7.616 12.406 1.00 0.00 O ATOM 576 NE2 GLN A 48 -25.856 -8.366 12.183 1.00 0.00 N ATOM 0 H GLN A 48 -22.505 -10.241 9.247 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.994 -11.396 11.366 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.449 -10.056 12.795 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -21.985 -9.107 11.397 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -24.160 -9.736 10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.625 -10.615 11.724 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.494 -9.079 11.829 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -26.221 -7.565 12.698 1.00 0.00 H new ATOM 585 N LYS A 49 -23.974 -12.670 10.806 1.00 0.00 N ATOM 586 CA LYS A 49 -24.842 -13.810 11.091 1.00 0.00 C ATOM 587 C LYS A 49 -24.168 -15.134 10.741 1.00 0.00 C ATOM 588 O LYS A 49 -24.263 -16.104 11.494 1.00 0.00 O ATOM 589 CB LYS A 49 -26.149 -13.644 10.310 1.00 0.00 C ATOM 590 CG LYS A 49 -26.929 -12.459 10.891 1.00 0.00 C ATOM 591 CD LYS A 49 -28.221 -12.245 10.095 1.00 0.00 C ATOM 592 CE LYS A 49 -28.991 -11.054 10.677 1.00 0.00 C ATOM 593 NZ LYS A 49 -30.242 -10.833 9.898 1.00 0.00 N ATOM 0 H LYS A 49 -24.328 -12.048 10.079 1.00 0.00 H new ATOM 0 HA LYS A 49 -25.051 -13.834 12.161 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.938 -13.475 9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.744 -14.555 10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -27.164 -12.646 11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -26.317 -11.558 10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.988 -12.063 9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -28.837 -13.143 10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -29.232 -11.241 11.724 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -28.370 -10.158 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -30.761 -10.024 10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -30.003 -10.636 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -30.837 -11.685 9.948 1.00 0.00 H new ATOM 607 N ALA A 50 -23.492 -15.162 9.595 1.00 0.00 N ATOM 608 CA ALA A 50 -22.709 -16.324 9.200 1.00 0.00 C ATOM 609 C ALA A 50 -21.419 -16.410 10.012 1.00 0.00 C ATOM 610 O ALA A 50 -20.751 -17.445 10.004 1.00 0.00 O ATOM 611 CB ALA A 50 -22.385 -16.245 7.707 1.00 0.00 C ATOM 0 H ALA A 50 -23.472 -14.392 8.926 1.00 0.00 H new ATOM 0 HA ALA A 50 -23.296 -17.221 9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.799 -17.116 7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -23.312 -16.223 7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.813 -15.339 7.506 1.00 0.00 H new ATOM 617 N LYS A 51 -21.086 -15.324 10.708 1.00 0.00 N ATOM 618 CA LYS A 51 -19.940 -15.308 11.615 1.00 0.00 C ATOM 619 C LYS A 51 -18.661 -15.734 10.898 1.00 0.00 C ATOM 620 O LYS A 51 -17.823 -16.423 11.480 1.00 0.00 O ATOM 621 CB LYS A 51 -20.197 -16.216 12.822 1.00 0.00 C ATOM 622 CG LYS A 51 -19.696 -15.531 14.098 1.00 0.00 C ATOM 623 CD LYS A 51 -20.089 -16.359 15.325 1.00 0.00 C ATOM 624 CE LYS A 51 -19.560 -15.674 16.590 1.00 0.00 C ATOM 625 NZ LYS A 51 -19.951 -16.474 17.784 1.00 0.00 N ATOM 0 H LYS A 51 -21.595 -14.442 10.661 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.808 -14.284 11.966 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.262 -16.431 12.907 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.689 -17.171 12.686 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.613 -15.416 14.058 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.120 -14.530 14.174 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.173 -16.459 15.378 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.679 -17.366 15.245 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.475 -15.581 16.540 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.964 -14.664 16.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -19.593 -16.011 18.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.988 -16.541 17.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -19.545 -17.429 17.710 1.00 0.00 H new ATOM 639 N VAL A 52 -18.371 -15.040 9.803 1.00 0.00 N ATOM 640 CA VAL A 52 -17.141 -15.291 9.060 1.00 0.00 C ATOM 641 C VAL A 52 -16.261 -14.044 9.051 1.00 0.00 C ATOM 642 O VAL A 52 -16.756 -12.925 8.938 1.00 0.00 O ATOM 643 CB VAL A 52 -17.458 -15.724 7.622 1.00 0.00 C ATOM 644 CG1 VAL A 52 -18.001 -17.156 7.623 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.515 -14.799 7.011 1.00 0.00 C ATOM 0 H VAL A 52 -18.963 -14.307 9.413 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.601 -16.098 9.555 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.542 -15.670 7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -18.225 -17.461 6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.254 -17.828 8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.910 -17.200 8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -18.731 -15.117 5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.427 -14.845 7.606 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -18.140 -13.775 7.000 1.00 0.00 H new ATOM 655 N LYS A 53 -14.992 -14.247 9.397 1.00 0.00 N ATOM 656 CA LYS A 53 -14.006 -13.172 9.365 1.00 0.00 C ATOM 657 C LYS A 53 -13.477 -12.993 7.949 1.00 0.00 C ATOM 658 O LYS A 53 -13.082 -13.966 7.309 1.00 0.00 O ATOM 659 CB LYS A 53 -12.839 -13.500 10.299 1.00 0.00 C ATOM 660 CG LYS A 53 -13.320 -13.500 11.751 1.00 0.00 C ATOM 661 CD LYS A 53 -12.160 -13.859 12.683 1.00 0.00 C ATOM 662 CE LYS A 53 -12.652 -13.930 14.131 1.00 0.00 C ATOM 663 NZ LYS A 53 -13.060 -12.574 14.593 1.00 0.00 N ATOM 0 H LYS A 53 -14.623 -15.147 9.703 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.486 -12.251 9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.421 -14.474 10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.042 -12.768 10.171 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.717 -12.519 12.012 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.132 -14.216 11.874 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.730 -14.817 12.389 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.369 -13.114 12.595 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.494 -14.618 14.205 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.863 -14.321 14.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.165 -12.577 15.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.334 -11.881 14.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.966 -12.316 14.154 1.00 0.00 H new ATOM 677 N ILE A 54 -13.257 -11.738 7.577 1.00 0.00 N ATOM 678 CA ILE A 54 -12.634 -11.426 6.296 1.00 0.00 C ATOM 679 C ILE A 54 -11.446 -10.494 6.516 1.00 0.00 C ATOM 680 O ILE A 54 -11.630 -9.365 6.971 1.00 0.00 O ATOM 681 CB ILE A 54 -13.683 -10.770 5.392 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.597 -11.860 4.815 1.00 0.00 C ATOM 683 CG2 ILE A 54 -12.997 -10.005 4.258 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.654 -11.251 3.885 1.00 0.00 C ATOM 0 H ILE A 54 -13.499 -10.923 8.141 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.267 -12.335 5.819 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.277 -10.065 5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.000 -12.588 4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.087 -12.397 5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.752 -9.543 3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.354 -9.232 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -12.396 -10.695 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.289 -12.043 3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -16.264 -10.541 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.160 -10.735 3.061 1.00 0.00 H new ATOM 696 N PRO A 55 -10.211 -11.025 6.417 1.00 0.00 N ATOM 697 CA PRO A 55 -8.973 -10.209 6.577 1.00 0.00 C ATOM 698 C PRO A 55 -8.916 -9.005 5.640 1.00 0.00 C ATOM 699 O PRO A 55 -8.372 -7.971 6.022 1.00 0.00 O ATOM 700 CB PRO A 55 -7.838 -11.197 6.285 1.00 0.00 C ATOM 701 CG PRO A 55 -8.414 -12.541 6.576 1.00 0.00 C ATOM 702 CD PRO A 55 -9.894 -12.448 6.203 1.00 0.00 C ATOM 0 HA PRO A 55 -8.916 -9.769 7.573 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.508 -11.125 5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.969 -10.996 6.911 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.912 -13.316 5.996 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.291 -12.800 7.628 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.067 -12.747 5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.508 -13.095 6.830 1.00 0.00 H new ATOM 710 N ARG A 56 -9.333 -9.189 4.384 1.00 0.00 N ATOM 711 CA ARG A 56 -9.150 -8.136 3.387 1.00 0.00 C ATOM 712 C ARG A 56 -10.372 -7.919 2.487 1.00 0.00 C ATOM 713 O ARG A 56 -10.574 -6.789 2.028 1.00 0.00 O ATOM 714 CB ARG A 56 -7.876 -8.380 2.565 1.00 0.00 C ATOM 715 CG ARG A 56 -6.659 -8.154 3.473 1.00 0.00 C ATOM 716 CD ARG A 56 -5.337 -8.401 2.737 1.00 0.00 C ATOM 717 NE ARG A 56 -4.225 -8.178 3.661 1.00 0.00 N ATOM 718 CZ ARG A 56 -2.969 -8.047 3.252 1.00 0.00 C ATOM 719 NH1 ARG A 56 -2.667 -8.114 1.992 1.00 0.00 N ATOM 720 NH2 ARG A 56 -2.007 -7.985 4.125 1.00 0.00 N ATOM 0 H ARG A 56 -9.788 -10.035 4.041 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.033 -7.205 3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.870 -9.395 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.842 -7.704 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.676 -7.133 3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.723 -8.817 4.336 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.306 -9.420 2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.253 -7.733 1.880 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.423 -8.121 4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.400 -8.269 1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.697 -8.011 1.694 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.218 -8.037 5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.041 -7.884 3.813 1.00 0.00 H new ATOM 734 N LYS A 57 -11.168 -8.950 2.178 1.00 0.00 N ATOM 735 CA LYS A 57 -12.101 -8.829 1.052 1.00 0.00 C ATOM 736 C LYS A 57 -13.141 -7.733 1.282 1.00 0.00 C ATOM 737 O LYS A 57 -13.646 -7.175 0.311 1.00 0.00 O ATOM 738 CB LYS A 57 -12.908 -10.113 0.819 1.00 0.00 C ATOM 739 CG LYS A 57 -12.062 -11.283 0.308 1.00 0.00 C ATOM 740 CD LYS A 57 -13.008 -12.477 0.122 1.00 0.00 C ATOM 741 CE LYS A 57 -12.273 -13.713 -0.409 1.00 0.00 C ATOM 742 NZ LYS A 57 -13.238 -14.838 -0.564 1.00 0.00 N ATOM 0 H LYS A 57 -11.187 -9.844 2.669 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.464 -8.603 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.390 -10.404 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.702 -9.908 0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.577 -11.025 -0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.271 -11.525 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.481 -12.717 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.805 -12.204 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.805 -13.487 -1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.475 -13.997 0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.027 -15.358 -1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.155 -15.481 0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.206 -14.461 -0.610 1.00 0.00 H new ATOM 756 N TRP A 58 -13.710 -7.687 2.487 1.00 0.00 N ATOM 757 CA TRP A 58 -14.623 -6.595 2.823 1.00 0.00 C ATOM 758 C TRP A 58 -13.926 -5.524 3.655 1.00 0.00 C ATOM 759 O TRP A 58 -14.026 -4.340 3.340 1.00 0.00 O ATOM 760 CB TRP A 58 -15.849 -7.127 3.574 1.00 0.00 C ATOM 761 CG TRP A 58 -17.003 -7.268 2.629 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.507 -8.434 2.168 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.638 -6.223 1.831 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.645 -8.143 1.446 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.654 -6.823 1.043 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.261 -4.905 1.527 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.257 -6.139 -0.021 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -17.854 -4.222 0.456 1.00 0.00 C ATOM 769 CH2 TRP A 58 -18.899 -4.807 -0.266 1.00 0.00 C ATOM 0 H TRP A 58 -13.561 -8.372 3.228 1.00 0.00 H new ATOM 0 HA TRP A 58 -14.950 -6.141 1.888 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -15.619 -8.091 4.027 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.113 -6.448 4.385 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.093 -9.417 2.335 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.383 -8.815 1.237 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -16.507 -4.413 2.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -19.988 -6.632 -0.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.501 -3.237 0.187 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.429 -4.233 -1.011 1.00 0.00 H new ATOM 780 N LYS A 59 -12.972 -5.983 4.455 1.00 0.00 N ATOM 781 CA LYS A 59 -12.374 -5.156 5.495 1.00 0.00 C ATOM 782 C LYS A 59 -11.625 -3.983 4.857 1.00 0.00 C ATOM 783 O LYS A 59 -11.437 -2.946 5.492 1.00 0.00 O ATOM 784 CB LYS A 59 -11.471 -6.040 6.361 1.00 0.00 C ATOM 785 CG LYS A 59 -10.916 -5.256 7.553 1.00 0.00 C ATOM 786 CD LYS A 59 -10.084 -6.198 8.433 1.00 0.00 C ATOM 787 CE LYS A 59 -9.534 -5.442 9.647 1.00 0.00 C ATOM 788 NZ LYS A 59 -8.755 -6.387 10.496 1.00 0.00 N ATOM 0 H LYS A 59 -12.594 -6.929 4.403 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.138 -4.723 6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.035 -6.902 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.648 -6.425 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.300 -4.427 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.733 -4.825 8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.699 -7.035 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.261 -6.617 7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.899 -4.618 9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.352 -5.007 10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.378 -5.881 11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.375 -7.159 10.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.968 -6.782 9.943 1.00 0.00 H new ATOM 802 N ARG A 60 -10.921 -4.301 3.773 1.00 0.00 N ATOM 803 CA ARG A 60 -10.100 -3.327 3.058 1.00 0.00 C ATOM 804 C ARG A 60 -10.789 -2.713 1.840 1.00 0.00 C ATOM 805 O ARG A 60 -10.162 -1.934 1.112 1.00 0.00 O ATOM 806 CB ARG A 60 -8.785 -3.999 2.651 1.00 0.00 C ATOM 807 CG ARG A 60 -7.990 -4.372 3.908 1.00 0.00 C ATOM 808 CD ARG A 60 -7.483 -3.093 4.589 1.00 0.00 C ATOM 809 NE ARG A 60 -6.837 -3.382 5.870 1.00 0.00 N ATOM 810 CZ ARG A 60 -7.381 -3.036 7.034 1.00 0.00 C ATOM 811 NH1 ARG A 60 -8.547 -2.461 7.065 1.00 0.00 N ATOM 812 NH2 ARG A 60 -6.639 -3.017 8.103 1.00 0.00 N ATOM 0 H ARG A 60 -10.903 -5.237 3.367 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.917 -2.494 3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.988 -4.891 2.059 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.200 -3.327 2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.619 -4.938 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.150 -5.014 3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.777 -2.586 3.931 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.317 -2.410 4.748 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.939 -3.865 5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.047 -2.274 6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.962 -2.197 7.959 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.652 -3.266 8.043 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.045 -2.753 9.001 1.00 0.00 H new ATOM 826 N ARG A 61 -12.026 -3.118 1.559 1.00 0.00 N ATOM 827 CA ARG A 61 -12.692 -2.714 0.322 1.00 0.00 C ATOM 828 C ARG A 61 -13.933 -1.850 0.555 1.00 0.00 C ATOM 829 O ARG A 61 -14.847 -1.885 -0.264 1.00 0.00 O ATOM 830 CB ARG A 61 -13.026 -3.915 -0.573 1.00 0.00 C ATOM 831 CG ARG A 61 -11.727 -4.505 -1.135 1.00 0.00 C ATOM 832 CD ARG A 61 -12.021 -5.713 -2.031 1.00 0.00 C ATOM 833 NE ARG A 61 -10.769 -6.263 -2.552 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.245 -5.875 -3.714 1.00 0.00 C ATOM 835 NH1 ARG A 61 -10.691 -4.815 -4.322 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.165 -6.454 -4.157 1.00 0.00 N ATOM 0 H ARG A 61 -12.583 -3.720 2.165 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.968 -2.090 -0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.565 -4.671 -0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.681 -3.605 -1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.194 -3.745 -1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.074 -4.805 -0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.555 -6.476 -1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.669 -5.416 -2.856 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.279 -6.970 -2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.449 -4.272 -3.910 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.282 -4.527 -5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.727 -7.199 -3.615 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.758 -6.163 -5.046 1.00 0.00 H new ATOM 850 N TYR A 62 -14.081 -1.248 1.735 1.00 0.00 N ATOM 851 CA TYR A 62 -15.339 -0.578 2.064 1.00 0.00 C ATOM 852 C TYR A 62 -15.172 0.713 2.862 1.00 0.00 C ATOM 853 O TYR A 62 -14.050 1.128 3.149 1.00 0.00 O ATOM 854 CB TYR A 62 -16.297 -1.533 2.785 1.00 0.00 C ATOM 855 CG TYR A 62 -15.743 -2.170 4.043 1.00 0.00 C ATOM 856 CD1 TYR A 62 -14.585 -1.676 4.673 1.00 0.00 C ATOM 857 CD2 TYR A 62 -16.606 -3.009 4.765 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.254 -2.096 5.968 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.289 -3.401 6.070 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.095 -2.977 6.659 1.00 0.00 C ATOM 861 OH TYR A 62 -14.665 -3.566 7.830 1.00 0.00 O ATOM 0 H TYR A 62 -13.366 -1.210 2.462 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.768 -0.284 1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.205 -0.987 3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.586 -2.324 2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -13.950 -0.971 4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.522 -3.355 4.309 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.348 -1.739 6.435 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.968 -4.032 6.623 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.371 -4.148 8.182 1.00 0.00 H new ATOM 871 N CYS A 63 -16.254 1.495 2.843 1.00 0.00 N ATOM 872 CA CYS A 63 -16.398 2.657 3.720 1.00 0.00 C ATOM 873 C CYS A 63 -16.557 2.274 5.182 1.00 0.00 C ATOM 874 O CYS A 63 -17.327 1.381 5.523 1.00 0.00 O ATOM 875 CB CYS A 63 -17.640 3.464 3.326 1.00 0.00 C ATOM 876 SG CYS A 63 -17.152 5.090 2.705 1.00 0.00 S ATOM 0 H CYS A 63 -17.049 1.341 2.223 1.00 0.00 H new ATOM 0 HA CYS A 63 -15.484 3.239 3.602 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -18.204 2.929 2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.298 3.577 4.187 1.00 0.00 H new ATOM 881 N LYS A 64 -15.949 3.084 6.043 1.00 0.00 N ATOM 882 CA LYS A 64 -16.104 2.893 7.478 1.00 0.00 C ATOM 883 C LYS A 64 -17.543 3.097 7.954 1.00 0.00 C ATOM 884 O LYS A 64 -18.035 2.307 8.763 1.00 0.00 O ATOM 885 CB LYS A 64 -15.199 3.921 8.169 1.00 0.00 C ATOM 886 CG LYS A 64 -15.200 3.716 9.688 1.00 0.00 C ATOM 887 CD LYS A 64 -14.251 4.719 10.353 1.00 0.00 C ATOM 888 CE LYS A 64 -14.255 4.489 11.866 1.00 0.00 C ATOM 889 NZ LYS A 64 -13.328 5.449 12.524 1.00 0.00 N ATOM 0 H LYS A 64 -15.353 3.868 5.776 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.835 1.866 7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.182 3.832 7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.541 4.929 7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.209 3.843 10.080 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.891 2.698 9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.242 4.600 9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.564 5.738 10.127 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.264 4.615 12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.952 3.466 12.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.334 5.289 13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.365 5.308 12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.636 6.422 12.323 1.00 0.00 H new ATOM 903 N LYS A 65 -18.226 4.127 7.459 1.00 0.00 N ATOM 904 CA LYS A 65 -19.654 4.262 7.740 1.00 0.00 C ATOM 905 C LYS A 65 -20.515 3.341 6.879 1.00 0.00 C ATOM 906 O LYS A 65 -21.387 2.633 7.379 1.00 0.00 O ATOM 907 CB LYS A 65 -20.087 5.719 7.569 1.00 0.00 C ATOM 908 CG LYS A 65 -21.545 5.861 8.008 1.00 0.00 C ATOM 909 CD LYS A 65 -21.973 7.330 7.953 1.00 0.00 C ATOM 910 CE LYS A 65 -23.424 7.457 8.432 1.00 0.00 C ATOM 911 NZ LYS A 65 -24.341 6.810 7.444 1.00 0.00 N ATOM 0 H LYS A 65 -17.827 4.863 6.876 1.00 0.00 H new ATOM 0 HA LYS A 65 -19.809 3.956 8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.450 6.373 8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -19.976 6.025 6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -22.187 5.263 7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.667 5.477 9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -21.318 7.935 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -21.880 7.709 6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.537 6.987 9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.687 8.508 8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -25.317 7.124 7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -24.058 7.079 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -24.286 5.776 7.545 1.00 0.00 H new ATOM 925 N CYS A 66 -20.270 3.405 5.572 1.00 0.00 N ATOM 926 CA CYS A 66 -21.202 2.847 4.596 1.00 0.00 C ATOM 927 C CYS A 66 -21.062 1.338 4.498 1.00 0.00 C ATOM 928 O CYS A 66 -21.928 0.679 3.923 1.00 0.00 O ATOM 929 CB CYS A 66 -20.968 3.490 3.227 1.00 0.00 C ATOM 930 SG CYS A 66 -20.981 5.281 3.462 1.00 0.00 S ATOM 0 H CYS A 66 -19.439 3.835 5.166 1.00 0.00 H new ATOM 0 HA CYS A 66 -22.216 3.067 4.930 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -20.016 3.165 2.808 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -21.745 3.189 2.524 1.00 0.00 H new ATOM 935 N HIS A 67 -19.819 0.904 4.670 1.00 0.00 N ATOM 936 CA HIS A 67 -19.428 -0.468 4.373 1.00 0.00 C ATOM 937 C HIS A 67 -19.543 -0.729 2.873 1.00 0.00 C ATOM 938 O HIS A 67 -19.184 -1.805 2.393 1.00 0.00 O ATOM 939 CB HIS A 67 -20.274 -1.454 5.186 1.00 0.00 C ATOM 940 CG HIS A 67 -19.990 -1.255 6.650 1.00 0.00 C ATOM 941 ND1 HIS A 67 -18.738 -1.511 7.182 1.00 0.00 N ATOM 942 CD2 HIS A 67 -20.668 -0.560 7.623 1.00 0.00 C ATOM 943 CE1 HIS A 67 -18.754 -1.112 8.467 1.00 0.00 C ATOM 944 NE2 HIS A 67 -19.874 -0.450 8.763 1.00 0.00 N ATOM 0 H HIS A 67 -19.059 1.489 5.017 1.00 0.00 H new ATOM 0 HA HIS A 67 -18.387 -0.616 4.661 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -21.333 -1.297 4.984 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -20.042 -2.478 4.894 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -17.947 -1.926 6.690 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -21.666 -0.160 7.520 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -17.958 -1.304 9.172 1.00 0.00 H new ATOM 953 N ALA A 68 -19.829 0.341 2.133 1.00 0.00 N ATOM 954 CA ALA A 68 -19.984 0.284 0.684 1.00 0.00 C ATOM 955 C ALA A 68 -18.644 0.023 0.008 1.00 0.00 C ATOM 956 O ALA A 68 -17.651 0.638 0.380 1.00 0.00 O ATOM 957 CB ALA A 68 -20.567 1.598 0.157 1.00 0.00 C ATOM 0 H ALA A 68 -19.960 1.274 2.525 1.00 0.00 H new ATOM 0 HA ALA A 68 -20.666 -0.534 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.676 1.539 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.542 1.771 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.898 2.420 0.410 1.00 0.00 H new ATOM 963 N PHE A 69 -18.689 -0.646 -1.142 1.00 0.00 N ATOM 964 CA PHE A 69 -17.470 -1.095 -1.805 1.00 0.00 C ATOM 965 C PHE A 69 -16.652 0.134 -2.198 1.00 0.00 C ATOM 966 O PHE A 69 -17.158 1.002 -2.904 1.00 0.00 O ATOM 967 CB PHE A 69 -17.847 -1.862 -3.081 1.00 0.00 C ATOM 968 CG PHE A 69 -16.781 -2.872 -3.451 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.481 -2.450 -3.772 1.00 0.00 C ATOM 970 CD2 PHE A 69 -17.087 -4.238 -3.467 1.00 0.00 C ATOM 971 CE1 PHE A 69 -14.531 -3.384 -4.198 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.206 -5.126 -4.091 1.00 0.00 C ATOM 973 CZ PHE A 69 -14.915 -4.707 -4.430 1.00 0.00 C ATOM 0 H PHE A 69 -19.551 -0.887 -1.630 1.00 0.00 H new ATOM 0 HA PHE A 69 -16.896 -1.739 -1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -18.799 -2.372 -2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -17.986 -1.159 -3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.215 -1.406 -3.690 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -17.992 -4.601 -3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.504 -3.084 -4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.522 -6.135 -4.311 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.217 -5.404 -4.870 1.00 0.00 H new ATOM 983 N LEU A 70 -15.368 0.155 -1.840 1.00 0.00 N ATOM 984 CA LEU A 70 -14.512 1.287 -2.184 1.00 0.00 C ATOM 985 C LEU A 70 -13.703 0.947 -3.429 1.00 0.00 C ATOM 986 O LEU A 70 -12.624 0.360 -3.353 1.00 0.00 O ATOM 987 CB LEU A 70 -13.574 1.640 -1.019 1.00 0.00 C ATOM 988 CG LEU A 70 -14.047 2.906 -0.292 1.00 0.00 C ATOM 989 CD1 LEU A 70 -13.891 4.129 -1.201 1.00 0.00 C ATOM 990 CD2 LEU A 70 -15.513 2.766 0.134 1.00 0.00 C ATOM 0 H LEU A 70 -14.904 -0.589 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.140 2.156 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.533 0.808 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.562 1.790 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.431 3.039 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.230 5.020 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.843 4.247 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.489 3.991 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.831 3.673 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.135 2.612 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.617 1.913 0.805 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.165 1.515 -4.537 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.358 1.715 -5.734 1.00 0.00 C ATOM 1004 C VAL A 71 -13.612 3.135 -6.237 1.00 0.00 C ATOM 1005 O VAL A 71 -14.767 3.560 -6.292 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.760 0.701 -6.815 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -13.014 0.982 -8.124 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.435 -0.718 -6.340 1.00 0.00 C ATOM 0 H VAL A 71 -15.123 1.854 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.302 1.573 -5.506 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.831 0.794 -6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.313 0.253 -8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.258 1.985 -8.474 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.940 0.908 -7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.722 -1.434 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.365 -0.801 -6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.986 -0.930 -5.424 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.572 3.931 -6.519 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.775 5.325 -7.004 1.00 0.00 C ATOM 1020 C PRO A 72 -13.518 5.357 -8.337 1.00 0.00 C ATOM 1021 O PRO A 72 -13.226 4.571 -9.236 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.360 5.898 -7.129 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.483 4.996 -6.325 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.145 3.617 -6.342 1.00 0.00 C ATOM 0 HA PRO A 72 -13.395 5.909 -6.324 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.041 5.927 -8.171 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.318 6.921 -6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.480 4.950 -6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.380 5.364 -5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.765 2.998 -7.155 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.965 3.072 -5.415 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.353 6.375 -8.496 1.00 0.00 N ATOM 1033 CA GLY A 73 -15.073 6.620 -9.739 1.00 0.00 C ATOM 1034 C GLY A 73 -16.512 6.104 -9.674 1.00 0.00 C ATOM 1035 O GLY A 73 -17.282 6.379 -10.592 1.00 0.00 O ATOM 0 H GLY A 73 -14.551 7.057 -7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.080 7.689 -9.950 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.550 6.135 -10.563 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.796 5.177 -8.754 1.00 0.00 N ATOM 1040 CA ILE A 74 -18.093 4.499 -8.786 1.00 0.00 C ATOM 1041 C ILE A 74 -19.075 4.998 -7.723 1.00 0.00 C ATOM 1042 O ILE A 74 -19.921 5.839 -8.024 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.887 2.991 -8.618 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -17.108 2.442 -9.820 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -19.261 2.322 -8.535 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.645 1.008 -9.546 1.00 0.00 C ATOM 0 H ILE A 74 -16.170 4.887 -8.003 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.537 4.728 -9.754 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.320 2.786 -7.710 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.737 2.464 -10.710 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.246 3.077 -10.023 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.135 1.246 -8.415 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.809 2.721 -7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.819 2.522 -9.450 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.094 0.633 -10.408 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -15.998 0.996 -8.669 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.513 0.374 -9.366 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.867 4.607 -6.462 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.683 5.113 -5.359 1.00 0.00 C ATOM 1060 C ASN A 75 -18.872 6.114 -4.553 1.00 0.00 C ATOM 1061 O ASN A 75 -19.357 6.719 -3.599 1.00 0.00 O ATOM 1062 CB ASN A 75 -20.106 3.968 -4.434 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.916 3.351 -3.700 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.757 3.636 -4.007 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -19.145 2.664 -2.617 1.00 0.00 N ATOM 0 H ASN A 75 -18.143 3.945 -6.182 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.572 5.587 -5.774 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.828 4.339 -3.706 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.610 3.198 -5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -18.367 2.365 -2.029 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -20.102 2.425 -2.357 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.679 6.374 -5.069 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.735 7.259 -4.419 1.00 0.00 C ATOM 1074 C ALA A 76 -15.782 7.794 -5.472 1.00 0.00 C ATOM 1075 O ALA A 76 -15.437 7.071 -6.399 1.00 0.00 O ATOM 1076 CB ALA A 76 -15.946 6.494 -3.353 1.00 0.00 C ATOM 0 H ALA A 76 -17.343 5.977 -5.947 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.266 8.079 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.239 7.168 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.634 6.095 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.403 5.673 -3.821 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.260 8.993 -5.251 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.339 9.592 -6.212 1.00 0.00 C ATOM 1084 C ARG A 77 -13.082 10.076 -5.503 1.00 0.00 C ATOM 1085 O ARG A 77 -13.118 10.322 -4.298 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.993 10.749 -6.973 1.00 0.00 C ATOM 1087 CG ARG A 77 -14.132 11.117 -8.184 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.796 12.250 -8.975 1.00 0.00 C ATOM 1089 NE ARG A 77 -14.832 13.483 -8.193 1.00 0.00 N ATOM 1090 CZ ARG A 77 -15.447 14.570 -8.646 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -16.058 14.543 -9.795 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -15.498 15.646 -7.920 1.00 0.00 N ATOM 0 H ARG A 77 -15.453 9.564 -4.428 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.070 8.825 -6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.994 10.464 -7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.104 11.612 -6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.140 11.425 -7.855 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.999 10.245 -8.824 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.250 12.419 -9.903 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.810 11.960 -9.251 1.00 0.00 H new ATOM 0 HE ARG A 77 -14.376 13.510 -7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -16.065 13.686 -10.349 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -16.530 15.378 -10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.064 15.659 -6.997 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.972 16.478 -8.273 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.945 9.911 -6.173 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.669 10.259 -5.564 1.00 0.00 C ATOM 1108 C VAL A 78 -9.946 11.290 -6.429 1.00 0.00 C ATOM 1109 O VAL A 78 -10.055 11.261 -7.654 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.813 8.995 -5.379 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.278 8.499 -6.727 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.628 9.291 -4.453 1.00 0.00 C ATOM 0 H VAL A 78 -11.882 9.544 -7.123 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.844 10.698 -4.582 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.444 8.224 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.675 7.604 -6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.114 8.264 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.664 9.276 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.029 8.389 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.013 10.078 -4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.998 9.617 -3.481 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.494 12.355 -5.773 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.505 13.251 -6.363 1.00 0.00 C ATOM 1124 C ARG A 79 -7.128 12.938 -5.798 1.00 0.00 C ATOM 1125 O ARG A 79 -7.002 12.601 -4.622 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.821 14.718 -6.056 1.00 0.00 C ATOM 1127 CG ARG A 79 -10.123 15.155 -6.733 1.00 0.00 C ATOM 1128 CD ARG A 79 -10.395 16.630 -6.418 1.00 0.00 C ATOM 1129 NE ARG A 79 -10.683 16.834 -4.998 1.00 0.00 N ATOM 1130 CZ ARG A 79 -11.902 16.673 -4.488 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -12.950 16.696 -5.260 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -12.066 16.883 -3.214 1.00 0.00 N ATOM 0 H ARG A 79 -9.796 12.618 -4.835 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.528 13.099 -7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.903 14.858 -4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.000 15.349 -6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.051 15.010 -7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.951 14.539 -6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.530 17.229 -6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.237 16.981 -7.015 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.922 17.109 -4.377 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.841 16.838 -6.264 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.880 16.572 -4.861 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.273 17.162 -2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.988 16.768 -2.793 1.00 0.00 H new ATOM 1146 N LEU A 80 -6.130 12.915 -6.675 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.758 12.682 -6.242 1.00 0.00 C ATOM 1148 C LEU A 80 -3.966 13.974 -6.420 1.00 0.00 C ATOM 1149 O LEU A 80 -4.016 14.582 -7.489 1.00 0.00 O ATOM 1150 CB LEU A 80 -4.142 11.584 -7.112 1.00 0.00 C ATOM 1151 CG LEU A 80 -5.034 10.338 -7.069 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -6.136 10.462 -8.127 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -4.199 9.087 -7.354 1.00 0.00 C ATOM 0 H LEU A 80 -6.243 13.053 -7.679 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.737 12.374 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.038 11.934 -8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.141 11.341 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.481 10.254 -6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.771 9.576 -8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.738 11.347 -7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.684 10.551 -9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.840 8.206 -7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.746 9.169 -8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.416 8.993 -6.602 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.359 14.459 -5.341 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.599 15.703 -5.391 1.00 0.00 C ATOM 1167 C ARG A 81 -1.102 15.433 -5.272 1.00 0.00 C ATOM 1168 O ARG A 81 -0.673 14.617 -4.458 1.00 0.00 O ATOM 1169 CB ARG A 81 -3.061 16.657 -4.286 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.480 17.147 -4.590 1.00 0.00 C ATOM 1171 CD ARG A 81 -4.967 18.071 -3.467 1.00 0.00 C ATOM 1172 NE ARG A 81 -6.322 18.554 -3.755 1.00 0.00 N ATOM 1173 CZ ARG A 81 -7.014 19.310 -2.908 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -6.445 19.786 -1.842 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -8.200 19.738 -3.241 1.00 0.00 N ATOM 0 H ARG A 81 -3.378 14.011 -4.425 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.782 16.174 -6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.039 16.150 -3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.380 17.505 -4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.494 17.679 -5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.154 16.296 -4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.959 17.536 -2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.287 18.916 -3.362 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.752 18.299 -4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.464 19.580 -1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.979 20.366 -1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.594 19.493 -4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.733 20.318 -2.593 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.318 16.123 -6.098 1.00 0.00 N ATOM 1190 CA GLN A 82 1.126 15.908 -6.139 1.00 0.00 C ATOM 1191 C GLN A 82 1.853 17.136 -5.588 1.00 0.00 C ATOM 1192 O GLN A 82 2.521 17.870 -6.317 1.00 0.00 O ATOM 1193 CB GLN A 82 1.561 15.609 -7.581 1.00 0.00 C ATOM 1194 CG GLN A 82 0.905 14.308 -8.056 1.00 0.00 C ATOM 1195 CD GLN A 82 1.359 13.130 -7.198 1.00 0.00 C ATOM 1196 OE1 GLN A 82 2.554 12.906 -7.021 1.00 0.00 O ATOM 1197 NE2 GLN A 82 0.465 12.362 -6.638 1.00 0.00 N ATOM 0 H GLN A 82 -0.658 16.834 -6.746 1.00 0.00 H new ATOM 0 HA GLN A 82 1.387 15.053 -5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.276 16.432 -8.236 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.646 15.521 -7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.180 14.403 -8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.162 14.125 -9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.528 12.545 -6.783 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.759 11.578 -6.055 1.00 0.00 H new ATOM 1206 N LYS A 83 1.695 17.347 -4.287 1.00 0.00 N ATOM 1207 CA LYS A 83 2.593 18.187 -3.499 1.00 0.00 C ATOM 1208 C LYS A 83 3.757 17.312 -3.037 1.00 0.00 C ATOM 1209 O LYS A 83 3.702 16.097 -3.236 1.00 0.00 O ATOM 1210 CB LYS A 83 1.790 18.742 -2.318 1.00 0.00 C ATOM 1211 CG LYS A 83 2.590 19.782 -1.529 1.00 0.00 C ATOM 1212 CD LYS A 83 1.690 20.346 -0.426 1.00 0.00 C ATOM 1213 CE LYS A 83 2.448 21.408 0.371 1.00 0.00 C ATOM 1214 NZ LYS A 83 1.558 21.963 1.428 1.00 0.00 N ATOM 0 H LYS A 83 0.935 16.938 -3.744 1.00 0.00 H new ATOM 0 HA LYS A 83 2.995 19.025 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.868 19.193 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.503 17.925 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.481 19.327 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.928 20.581 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.791 20.780 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.366 19.544 0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.339 20.972 0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.784 22.205 -0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.073 22.686 1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.721 22.393 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.258 21.198 2.066 1.00 0.00 H new ATOM 1228 N ARG A 84 4.820 17.867 -2.445 1.00 0.00 N ATOM 1229 CA ARG A 84 5.806 16.962 -1.849 1.00 0.00 C ATOM 1230 C ARG A 84 5.263 16.591 -0.472 1.00 0.00 C ATOM 1231 O ARG A 84 6.032 16.398 0.471 1.00 0.00 O ATOM 1232 CB ARG A 84 7.090 17.775 -1.618 1.00 0.00 C ATOM 1233 CG ARG A 84 7.638 18.319 -2.940 1.00 0.00 C ATOM 1234 CD ARG A 84 8.840 19.222 -2.648 1.00 0.00 C ATOM 1235 NE ARG A 84 9.947 18.451 -2.093 1.00 0.00 N ATOM 1236 CZ ARG A 84 10.847 17.866 -2.875 1.00 0.00 C ATOM 1237 NH1 ARG A 84 10.739 17.930 -4.173 1.00 0.00 N ATOM 1238 NH2 ARG A 84 11.847 17.220 -2.354 1.00 0.00 N ATOM 0 H ARG A 84 5.013 18.865 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 84 5.993 16.088 -2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.884 18.601 -0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.841 17.147 -1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.934 17.497 -3.591 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.865 18.880 -3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.160 19.717 -3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.550 20.005 -1.948 1.00 0.00 H new ATOM 0 HE ARG A 84 10.032 18.359 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.958 18.432 -4.596 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.435 17.478 -4.766 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.943 17.161 -1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.536 16.772 -2.959 1.00 0.00 H new ATOM 1252 N MET A 85 4.062 16.025 -0.523 1.00 0.00 N ATOM 1253 CA MET A 85 3.581 14.918 0.285 1.00 0.00 C ATOM 1254 C MET A 85 2.599 14.169 -0.614 1.00 0.00 C ATOM 1255 O MET A 85 1.689 14.835 -1.113 1.00 0.00 O ATOM 1256 CB MET A 85 2.830 15.515 1.483 1.00 0.00 C ATOM 1257 CG MET A 85 3.159 14.807 2.799 1.00 0.00 C ATOM 1258 SD MET A 85 4.948 14.817 3.082 1.00 0.00 S ATOM 1259 CE MET A 85 5.111 16.530 3.651 1.00 0.00 C ATOM 0 H MET A 85 3.352 16.353 -1.177 1.00 0.00 H new ATOM 0 HA MET A 85 4.374 14.263 0.646 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.079 16.572 1.572 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.757 15.454 1.301 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.650 15.303 3.625 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.793 13.781 2.770 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.822 17.058 3.016 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.141 17.024 3.599 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.468 16.539 4.681 1.00 0.00 H new ATOM 1269 N PRO A 86 2.759 12.889 -0.991 1.00 0.00 N ATOM 1270 CA PRO A 86 1.661 12.242 -1.760 1.00 0.00 C ATOM 1271 C PRO A 86 0.392 12.204 -0.913 1.00 0.00 C ATOM 1272 O PRO A 86 0.439 11.796 0.247 1.00 0.00 O ATOM 1273 CB PRO A 86 2.191 10.844 -2.088 1.00 0.00 C ATOM 1274 CG PRO A 86 3.672 10.920 -1.902 1.00 0.00 C ATOM 1275 CD PRO A 86 3.943 12.023 -0.874 1.00 0.00 C ATOM 0 HA PRO A 86 1.393 12.777 -2.671 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.752 10.094 -1.430 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.939 10.559 -3.109 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.066 9.965 -1.554 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.167 11.144 -2.847 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.048 11.618 0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.862 12.565 -1.097 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.751 12.458 -1.541 1.00 0.00 N ATOM 1284 CA HIS A 87 -2.030 12.352 -0.848 1.00 0.00 C ATOM 1285 C HIS A 87 -3.169 12.131 -1.838 1.00 0.00 C ATOM 1286 O HIS A 87 -3.177 12.716 -2.921 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.283 13.593 0.020 1.00 0.00 C ATOM 1288 CG HIS A 87 -2.171 14.869 -0.774 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -2.823 16.015 -0.343 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -1.189 15.316 -1.629 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -2.216 17.074 -0.903 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -1.195 16.706 -1.673 1.00 0.00 N ATOM 0 H HIS A 87 -0.819 12.736 -2.520 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.989 11.485 -0.189 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.276 13.528 0.464 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.567 13.613 0.842 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.514 14.681 -2.184 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -2.519 18.099 -0.747 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.555 17.313 -2.185 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.189 11.402 -1.392 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.432 11.277 -2.145 1.00 0.00 C ATOM 1303 C ILE A 88 -6.633 11.552 -1.240 1.00 0.00 C ATOM 1304 O ILE A 88 -6.563 11.293 -0.040 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.536 9.882 -2.769 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.571 8.802 -1.680 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.316 9.646 -3.668 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.863 7.434 -2.304 1.00 0.00 C ATOM 0 H ILE A 88 -4.178 10.888 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.430 12.015 -2.947 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.456 9.824 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.617 8.774 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.335 9.044 -0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.381 8.655 -4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.293 10.400 -4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.406 9.715 -3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.886 6.675 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.828 7.463 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.083 7.189 -3.025 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.686 12.166 -1.780 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.903 12.388 -0.997 1.00 0.00 C ATOM 1322 C VAL A 89 -10.076 11.653 -1.632 1.00 0.00 C ATOM 1323 O VAL A 89 -10.439 11.916 -2.775 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.228 13.884 -0.883 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.128 14.587 -0.084 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.352 14.534 -2.269 1.00 0.00 C ATOM 0 H VAL A 89 -7.723 12.513 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.731 11.999 0.006 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.185 13.988 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.359 15.649 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.068 14.152 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.172 14.461 -0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.583 15.593 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.411 14.423 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.150 14.047 -2.829 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.792 10.905 -0.799 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.846 10.019 -1.278 1.00 0.00 C ATOM 1338 C VAL A 90 -13.159 10.409 -0.612 1.00 0.00 C ATOM 1339 O VAL A 90 -13.305 10.215 0.589 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.512 8.560 -0.932 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.729 7.657 -1.178 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.342 8.080 -1.792 1.00 0.00 C ATOM 0 H VAL A 90 -10.661 10.895 0.213 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.932 10.113 -2.361 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.239 8.507 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.474 6.627 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.559 7.987 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.018 7.714 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.108 7.045 -1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.613 8.148 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.470 8.705 -1.601 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.190 10.550 -1.435 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.522 10.874 -0.948 1.00 0.00 C ATOM 1354 C LYS A 91 -16.452 9.804 -1.492 1.00 0.00 C ATOM 1355 O LYS A 91 -16.509 9.618 -2.702 1.00 0.00 O ATOM 1356 CB LYS A 91 -16.018 12.251 -1.420 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.511 12.663 -2.813 1.00 0.00 C ATOM 1358 CD LYS A 91 -14.001 12.931 -2.836 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.563 13.356 -4.237 1.00 0.00 C ATOM 1360 NZ LYS A 91 -12.095 13.604 -4.206 1.00 0.00 N ATOM 0 H LYS A 91 -14.127 10.444 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.501 10.909 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.108 12.248 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.707 13.004 -0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.747 11.876 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.040 13.559 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.751 13.711 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.460 12.034 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.803 12.579 -4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.095 14.256 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.764 13.846 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.890 14.392 -3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.605 12.748 -3.876 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.310 9.265 -0.634 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.273 8.273 -1.094 1.00 0.00 C ATOM 1376 C CYS A 92 -19.681 8.758 -0.794 1.00 0.00 C ATOM 1377 O CYS A 92 -20.025 9.012 0.358 1.00 0.00 O ATOM 1378 CB CYS A 92 -18.012 6.900 -0.461 1.00 0.00 C ATOM 1379 SG CYS A 92 -19.555 6.083 0.018 1.00 0.00 S ATOM 0 H CYS A 92 -17.360 9.491 0.359 1.00 0.00 H new ATOM 0 HA CYS A 92 -18.161 8.151 -2.171 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -17.470 6.270 -1.167 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.375 7.018 0.415 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.537 8.546 -1.780 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.859 9.148 -1.797 1.00 0.00 C ATOM 1386 C LEU A 93 -22.666 8.632 -0.610 1.00 0.00 C ATOM 1387 O LEU A 93 -23.404 9.388 0.019 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.521 8.883 -3.152 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.763 9.694 -4.211 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -22.171 9.252 -5.618 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -22.047 11.191 -4.047 1.00 0.00 C ATOM 0 H LEU A 93 -20.336 7.955 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.799 10.231 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.490 7.820 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.571 9.174 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.697 9.514 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -21.624 9.838 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.939 8.195 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -23.241 9.408 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -21.501 11.750 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -23.116 11.373 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.727 11.516 -3.057 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.532 7.340 -0.312 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.436 6.712 0.642 1.00 0.00 C ATOM 1405 C GLU A 94 -23.242 7.332 2.026 1.00 0.00 C ATOM 1406 O GLU A 94 -24.173 7.290 2.823 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.227 5.193 0.765 1.00 0.00 C ATOM 1408 CG GLU A 94 -22.551 4.593 -0.471 1.00 0.00 C ATOM 1409 CD GLU A 94 -23.183 5.082 -1.773 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -24.386 4.947 -1.932 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -22.477 5.740 -2.514 1.00 0.00 O ATOM 0 H GLU A 94 -21.823 6.723 -0.708 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.444 6.884 0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.620 4.983 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -24.191 4.708 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.492 4.851 -0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.614 3.506 -0.425 1.00 0.00 H new ATOM 1418 N CYS A 95 -21.995 7.645 2.403 1.00 0.00 N ATOM 1419 CA CYS A 95 -21.787 8.461 3.601 1.00 0.00 C ATOM 1420 C CYS A 95 -22.084 9.929 3.297 1.00 0.00 C ATOM 1421 O CYS A 95 -22.480 10.677 4.183 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.351 8.381 4.149 1.00 0.00 C ATOM 1423 SG CYS A 95 -19.085 8.321 2.851 1.00 0.00 S ATOM 0 H CYS A 95 -21.146 7.358 1.916 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.466 8.061 4.354 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -20.165 9.245 4.787 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.259 7.495 4.777 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.746 10.362 2.082 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.765 11.788 1.742 1.00 0.00 C ATOM 1430 C GLY A 96 -20.523 12.522 2.247 1.00 0.00 C ATOM 1431 O GLY A 96 -20.508 13.755 2.302 1.00 0.00 O ATOM 0 H GLY A 96 -21.457 9.750 1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.836 11.900 0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.655 12.249 2.169 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.526 11.766 2.698 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.461 12.313 3.536 1.00 0.00 C ATOM 1437 C HIS A 97 -17.078 12.043 2.949 1.00 0.00 C ATOM 1438 O HIS A 97 -16.897 11.130 2.143 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.538 11.755 4.958 1.00 0.00 C ATOM 1440 CG HIS A 97 -19.831 12.192 5.594 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -20.101 13.533 5.817 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -20.728 11.521 6.389 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -21.283 13.597 6.457 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -21.773 12.382 6.710 1.00 0.00 N ATOM 0 H HIS A 97 -19.433 10.770 2.497 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.611 13.392 3.569 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.479 10.667 4.938 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.692 12.109 5.547 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -20.637 10.494 6.712 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -21.775 14.518 6.732 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -22.701 12.140 7.059 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.165 12.975 3.217 1.00 0.00 N ATOM 1454 CA ILE A 98 -14.835 12.961 2.616 1.00 0.00 C ATOM 1455 C ILE A 98 -13.848 12.225 3.518 1.00 0.00 C ATOM 1456 O ILE A 98 -13.971 12.272 4.742 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.356 14.403 2.392 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -13.041 14.419 1.605 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.146 15.118 3.733 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -13.257 13.884 0.190 1.00 0.00 C ATOM 0 H ILE A 98 -16.326 13.756 3.853 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.888 12.441 1.660 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.125 14.924 1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.650 15.435 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.295 13.813 2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.807 16.138 3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.086 15.141 4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -13.396 14.584 4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.313 13.903 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.626 12.860 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.986 14.507 -0.327 1.00 0.00 H new ATOM 1472 N MET A 99 -13.146 11.275 2.911 1.00 0.00 N ATOM 1473 CA MET A 99 -12.096 10.522 3.590 1.00 0.00 C ATOM 1474 C MET A 99 -10.736 10.827 2.973 1.00 0.00 C ATOM 1475 O MET A 99 -10.628 10.969 1.760 1.00 0.00 O ATOM 1476 CB MET A 99 -12.389 9.028 3.448 1.00 0.00 C ATOM 1477 CG MET A 99 -13.658 8.679 4.229 1.00 0.00 C ATOM 1478 SD MET A 99 -14.092 6.939 3.975 1.00 0.00 S ATOM 1479 CE MET A 99 -12.677 6.192 4.822 1.00 0.00 C ATOM 0 H MET A 99 -13.287 11.005 1.938 1.00 0.00 H new ATOM 0 HA MET A 99 -12.076 10.807 4.642 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.514 8.770 2.396 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.547 8.445 3.822 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.504 8.872 5.291 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.480 9.317 3.905 1.00 0.00 H new ATOM 0 HE1 MET A 99 -12.916 5.163 5.092 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.810 6.202 4.161 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.451 6.760 5.724 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.730 11.045 3.816 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.380 11.340 3.342 1.00 0.00 C ATOM 1491 C ARG A 100 -7.467 10.129 3.515 1.00 0.00 C ATOM 1492 O ARG A 100 -7.406 9.549 4.597 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.826 12.530 4.133 1.00 0.00 C ATOM 1494 CG ARG A 100 -8.629 13.783 3.766 1.00 0.00 C ATOM 1495 CD ARG A 100 -8.141 14.981 4.584 1.00 0.00 C ATOM 1496 NE ARG A 100 -8.916 16.164 4.229 1.00 0.00 N ATOM 1497 CZ ARG A 100 -8.760 17.323 4.857 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -7.972 17.419 5.890 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -9.555 18.315 4.575 1.00 0.00 N ATOM 0 H ARG A 100 -9.824 11.023 4.831 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.420 11.584 2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.896 12.337 5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.771 12.677 3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.523 13.993 2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.689 13.613 3.954 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.243 14.773 5.649 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.082 15.157 4.394 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.599 16.099 3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.467 16.598 6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.860 18.315 6.365 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.289 18.197 3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.443 19.210 5.052 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.657 9.848 2.497 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.683 8.764 2.578 1.00 0.00 C ATOM 1515 C TYR A 101 -4.303 9.257 2.141 1.00 0.00 C ATOM 1516 O TYR A 101 -4.132 9.635 0.983 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.130 7.600 1.685 1.00 0.00 C ATOM 1518 CG TYR A 101 -5.794 6.277 2.338 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -4.475 5.991 2.733 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -6.753 5.258 2.355 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -4.198 4.788 3.394 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -6.438 4.005 2.893 1.00 0.00 C ATOM 1523 CZ TYR A 101 -5.162 3.769 3.421 1.00 0.00 C ATOM 1524 OH TYR A 101 -4.873 2.554 4.013 1.00 0.00 O ATOM 0 H TYR A 101 -6.656 10.353 1.611 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.620 8.422 3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.203 7.662 1.505 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.640 7.669 0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.681 6.694 2.528 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -7.739 5.439 1.952 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.245 4.645 3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.179 3.219 2.901 1.00 0.00 H new ATOM 0 HH TYR A 101 -5.652 1.963 3.944 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.423 9.580 3.107 1.00 0.00 N ATOM 1535 CA PRO A 102 -2.006 9.939 2.810 1.00 0.00 C ATOM 1536 C PRO A 102 -1.232 8.791 2.167 1.00 0.00 C ATOM 1537 O PRO A 102 -1.326 7.649 2.611 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.421 10.316 4.178 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.594 10.556 5.071 1.00 0.00 C ATOM 1540 CD PRO A 102 -3.707 9.648 4.552 1.00 0.00 C ATOM 0 HA PRO A 102 -1.939 10.749 2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.791 9.517 4.567 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.797 11.207 4.104 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.350 10.322 6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.898 11.602 5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.676 8.663 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.695 10.064 4.751 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.339 9.141 1.243 1.00 0.00 N ATOM 1549 CA TYR A 103 0.655 8.212 0.706 1.00 0.00 C ATOM 1550 C TYR A 103 2.077 8.750 0.826 1.00 0.00 C ATOM 1551 O TYR A 103 2.272 9.945 1.044 1.00 0.00 O ATOM 1552 CB TYR A 103 0.345 7.857 -0.751 1.00 0.00 C ATOM 1553 CG TYR A 103 -0.847 6.929 -0.816 1.00 0.00 C ATOM 1554 CD1 TYR A 103 -2.153 7.407 -0.652 1.00 0.00 C ATOM 1555 CD2 TYR A 103 -0.620 5.549 -0.897 1.00 0.00 C ATOM 1556 CE1 TYR A 103 -3.215 6.500 -0.557 1.00 0.00 C ATOM 1557 CE2 TYR A 103 -1.698 4.661 -0.946 1.00 0.00 C ATOM 1558 CZ TYR A 103 -3.004 5.145 -0.829 1.00 0.00 C ATOM 1559 OH TYR A 103 -4.068 4.267 -0.800 1.00 0.00 O ATOM 0 H TYR A 103 -0.284 10.078 0.845 1.00 0.00 H new ATOM 0 HA TYR A 103 0.595 7.307 1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.141 8.764 -1.319 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.212 7.381 -1.210 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.340 8.469 -0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.391 5.170 -0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -4.198 6.847 -0.274 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.522 3.603 -1.074 1.00 0.00 H new ATOM 0 HH TYR A 103 -3.753 3.364 -1.012 1.00 0.00 H new ATOM 1569 N ILE A 104 3.022 7.823 0.959 1.00 0.00 N ATOM 1570 CA ILE A 104 4.442 8.162 0.970 1.00 0.00 C ATOM 1571 C ILE A 104 5.119 7.705 -0.320 1.00 0.00 C ATOM 1572 O ILE A 104 5.267 6.507 -0.549 1.00 0.00 O ATOM 1573 CB ILE A 104 5.112 7.503 2.183 1.00 0.00 C ATOM 1574 CG1 ILE A 104 4.460 8.036 3.466 1.00 0.00 C ATOM 1575 CG2 ILE A 104 6.614 7.809 2.188 1.00 0.00 C ATOM 1576 CD1 ILE A 104 4.915 7.215 4.676 1.00 0.00 C ATOM 0 H ILE A 104 2.828 6.827 1.061 1.00 0.00 H new ATOM 0 HA ILE A 104 4.546 9.245 1.040 1.00 0.00 H new ATOM 0 HB ILE A 104 4.981 6.422 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.726 9.084 3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.375 7.992 3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.079 7.336 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.067 7.421 1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.765 8.887 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.444 7.605 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.627 6.173 4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.999 7.282 4.774 1.00 0.00 H new ATOM 1588 N LYS A 105 5.804 8.651 -0.959 1.00 0.00 N ATOM 1589 CA LYS A 105 6.501 8.412 -2.223 1.00 0.00 C ATOM 1590 C LYS A 105 5.809 7.322 -3.050 1.00 0.00 C ATOM 1591 O LYS A 105 6.496 6.467 -3.583 1.00 0.00 O ATOM 1592 CB LYS A 105 7.972 8.079 -1.931 1.00 0.00 C ATOM 1593 CG LYS A 105 8.654 9.316 -1.334 1.00 0.00 C ATOM 1594 CD LYS A 105 10.135 9.036 -1.053 1.00 0.00 C ATOM 1595 CE LYS A 105 10.279 8.056 0.119 1.00 0.00 C ATOM 1596 NZ LYS A 105 11.717 7.972 0.503 1.00 0.00 N ATOM 0 H LYS A 105 5.892 9.607 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 105 6.466 9.316 -2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.038 7.241 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.478 7.775 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.562 10.156 -2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.152 9.604 -0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 105 10.609 8.621 -1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.651 9.968 -0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.681 8.391 0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.906 7.072 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 11.826 7.310 1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 12.274 7.635 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 12.056 8.913 0.788 1.00 0.00 H new TER 1610 LYS A 105 HETATM 1611 ZN ZN A 124 -19.182 6.103 2.278 1.00 0.00 ZN