USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 663 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.47 X(o=-0.47,f=0) USER MOD Single : A 16 THR OG1 : rot 10:sc= -0.691 USER MOD Single : A 31 MET CE :methyl 177:sc= -0.435 (180deg=-0.62) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.277 K(o=-0.28,f=-3.1!) USER MOD Single : A 55 GLN : amide:sc= -0.439 K(o=-0.44,f=-3.1!) USER MOD Single : A 62 ASN : amide:sc= 0.133 X(o=0.13,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -115:sc= -4.69! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 75 MET CE :methyl 162:sc= -0.0574 (180deg=-0.618) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 -3.480 -15.342 -2.788 1.00 0.00 N ATOM 72 CA ASP A 5 -3.750 -15.892 -4.106 1.00 0.00 C ATOM 73 C ASP A 5 -4.175 -14.763 -5.048 1.00 0.00 C ATOM 74 O ASP A 5 -4.413 -13.640 -4.607 1.00 0.00 O ATOM 75 CB ASP A 5 -4.884 -16.917 -4.054 1.00 0.00 C ATOM 76 CG ASP A 5 -4.782 -17.938 -2.919 1.00 0.00 C ATOM 77 OD1 ASP A 5 -4.753 -17.575 -1.734 1.00 0.00 O ATOM 78 OD2 ASP A 5 -4.730 -19.170 -3.298 1.00 0.00 O ATOM 0 HA ASP A 5 -2.841 -16.378 -4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.830 -16.385 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.913 -17.453 -5.003 1.00 0.00 H new ATOM 84 N ASP A 6 -4.256 -15.102 -6.326 1.00 0.00 N ATOM 85 CA ASP A 6 -4.649 -14.131 -7.333 1.00 0.00 C ATOM 86 C ASP A 6 -5.783 -13.262 -6.784 1.00 0.00 C ATOM 87 O ASP A 6 -5.807 -12.053 -7.008 1.00 0.00 O ATOM 88 CB ASP A 6 -5.155 -14.824 -8.599 1.00 0.00 C ATOM 89 CG ASP A 6 -4.100 -15.035 -9.687 1.00 0.00 C ATOM 90 OD1 ASP A 6 -2.930 -14.657 -9.524 1.00 0.00 O ATOM 91 OD2 ASP A 6 -4.526 -15.624 -10.753 1.00 0.00 O ATOM 0 H ASP A 6 -4.056 -16.035 -6.687 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.775 -13.527 -7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.570 -15.794 -8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.972 -14.235 -9.016 1.00 0.00 H new ATOM 97 N ILE A 7 -6.694 -13.914 -6.077 1.00 0.00 N ATOM 98 CA ILE A 7 -7.828 -13.216 -5.494 1.00 0.00 C ATOM 99 C ILE A 7 -7.320 -12.075 -4.610 1.00 0.00 C ATOM 100 O ILE A 7 -7.757 -10.934 -4.752 1.00 0.00 O ATOM 101 CB ILE A 7 -8.744 -14.200 -4.763 1.00 0.00 C ATOM 102 CG1 ILE A 7 -9.576 -15.015 -5.754 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.620 -13.475 -3.739 1.00 0.00 C ATOM 104 CD1 ILE A 7 -10.403 -16.080 -5.031 1.00 0.00 C ATOM 0 H ILE A 7 -6.670 -14.917 -5.895 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.441 -12.765 -6.275 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.120 -14.904 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.238 -14.351 -6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.918 -15.492 -6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.262 -14.197 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.986 -12.977 -3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.237 -12.735 -4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.985 -16.645 -5.759 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.737 -16.756 -4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.077 -15.598 -4.323 1.00 0.00 H new ATOM 116 N ALA A 8 -6.404 -12.423 -3.718 1.00 0.00 N ATOM 117 CA ALA A 8 -5.832 -11.442 -2.812 1.00 0.00 C ATOM 118 C ALA A 8 -5.359 -10.228 -3.613 1.00 0.00 C ATOM 119 O ALA A 8 -5.575 -9.088 -3.205 1.00 0.00 O ATOM 120 CB ALA A 8 -4.701 -12.087 -2.009 1.00 0.00 C ATOM 0 H ALA A 8 -6.044 -13.370 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.581 -11.095 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.272 -11.351 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.095 -12.925 -1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.929 -12.445 -2.690 1.00 0.00 H new ATOM 126 N LYS A 9 -4.723 -10.514 -4.740 1.00 0.00 N ATOM 127 CA LYS A 9 -4.218 -9.459 -5.602 1.00 0.00 C ATOM 128 C LYS A 9 -5.338 -8.456 -5.885 1.00 0.00 C ATOM 129 O LYS A 9 -5.194 -7.266 -5.611 1.00 0.00 O ATOM 130 CB LYS A 9 -3.592 -10.054 -6.866 1.00 0.00 C ATOM 131 CG LYS A 9 -2.363 -9.252 -7.299 1.00 0.00 C ATOM 132 CD LYS A 9 -1.526 -10.037 -8.311 1.00 0.00 C ATOM 133 CE LYS A 9 -0.588 -11.017 -7.604 1.00 0.00 C ATOM 134 NZ LYS A 9 0.711 -11.093 -8.309 1.00 0.00 N ATOM 0 H LYS A 9 -4.546 -11.461 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.418 -8.911 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.308 -11.090 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.327 -10.063 -7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.678 -8.305 -7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.755 -9.012 -6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.184 -10.582 -8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.944 -9.346 -8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.431 -10.699 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.046 -12.005 -7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.335 -11.763 -7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.558 -11.417 -9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.154 -10.152 -8.323 1.00 0.00 H new ATOM 147 N ARG A 10 -6.430 -8.975 -6.428 1.00 0.00 N ATOM 148 CA ARG A 10 -7.574 -8.139 -6.750 1.00 0.00 C ATOM 149 C ARG A 10 -7.864 -7.171 -5.602 1.00 0.00 C ATOM 150 O ARG A 10 -8.131 -5.992 -5.832 1.00 0.00 O ATOM 151 CB ARG A 10 -8.818 -8.989 -7.018 1.00 0.00 C ATOM 152 CG ARG A 10 -8.681 -9.764 -8.330 1.00 0.00 C ATOM 153 CD ARG A 10 -9.622 -10.969 -8.356 1.00 0.00 C ATOM 154 NE ARG A 10 -10.074 -11.229 -9.742 1.00 0.00 N ATOM 155 CZ ARG A 10 -10.953 -12.195 -10.082 1.00 0.00 C ATOM 156 NH1 ARG A 10 -11.484 -13.002 -9.139 1.00 0.00 N ATOM 157 NH2 ARG A 10 -11.287 -12.338 -11.352 1.00 0.00 N ATOM 0 H ARG A 10 -6.546 -9.963 -6.653 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.331 -7.576 -7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.971 -9.686 -6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.699 -8.348 -7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.904 -9.106 -9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.651 -10.100 -8.452 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.112 -11.847 -7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.482 -10.783 -7.713 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.698 -10.641 -10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.222 -12.884 -8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.148 -13.729 -9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.882 -11.723 -12.058 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.950 -13.063 -11.626 1.00 0.00 H new ATOM 170 N LYS A 11 -7.803 -7.704 -4.391 1.00 0.00 N ATOM 171 CA LYS A 11 -8.056 -6.901 -3.206 1.00 0.00 C ATOM 172 C LYS A 11 -7.158 -5.662 -3.233 1.00 0.00 C ATOM 173 O LYS A 11 -7.619 -4.551 -2.979 1.00 0.00 O ATOM 174 CB LYS A 11 -7.898 -7.747 -1.942 1.00 0.00 C ATOM 175 CG LYS A 11 -9.024 -7.461 -0.946 1.00 0.00 C ATOM 176 CD LYS A 11 -8.736 -8.112 0.409 1.00 0.00 C ATOM 177 CE LYS A 11 -9.956 -8.883 0.916 1.00 0.00 C ATOM 178 NZ LYS A 11 -9.577 -9.778 2.032 1.00 0.00 N ATOM 0 H LYS A 11 -7.582 -8.682 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.087 -6.548 -3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.901 -8.805 -2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.935 -7.537 -1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.138 -6.384 -0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.968 -7.837 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.886 -8.788 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.459 -7.346 1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.723 -8.184 1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.387 -9.468 0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.417 -10.294 2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.861 -10.457 1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.187 -9.213 2.813 1.00 0.00 H new ATOM 191 N ILE A 12 -5.891 -5.896 -3.544 1.00 0.00 N ATOM 192 CA ILE A 12 -4.924 -4.813 -3.608 1.00 0.00 C ATOM 193 C ILE A 12 -5.570 -3.598 -4.276 1.00 0.00 C ATOM 194 O ILE A 12 -5.559 -2.500 -3.720 1.00 0.00 O ATOM 195 CB ILE A 12 -3.639 -5.282 -4.294 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.404 -4.808 -3.526 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.608 -4.841 -5.759 1.00 0.00 C ATOM 198 CD1 ILE A 12 -1.903 -3.468 -4.066 1.00 0.00 C ATOM 0 H ILE A 12 -5.512 -6.819 -3.754 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.628 -4.506 -2.605 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.624 -6.372 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.645 -4.710 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.614 -5.554 -3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.685 -5.187 -6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.461 -5.268 -6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.656 -3.753 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.024 -3.154 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.640 -3.575 -5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.687 -2.718 -3.963 1.00 0.00 H new ATOM 210 N ARG A 13 -6.117 -3.834 -5.460 1.00 0.00 N ATOM 211 CA ARG A 13 -6.766 -2.772 -6.209 1.00 0.00 C ATOM 212 C ARG A 13 -8.142 -2.467 -5.615 1.00 0.00 C ATOM 213 O ARG A 13 -8.454 -1.313 -5.323 1.00 0.00 O ATOM 214 CB ARG A 13 -6.928 -3.157 -7.681 1.00 0.00 C ATOM 215 CG ARG A 13 -5.777 -2.601 -8.523 1.00 0.00 C ATOM 216 CD ARG A 13 -5.675 -3.333 -9.863 1.00 0.00 C ATOM 217 NE ARG A 13 -6.254 -2.501 -10.940 1.00 0.00 N ATOM 218 CZ ARG A 13 -7.558 -2.516 -11.291 1.00 0.00 C ATOM 219 NH1 ARG A 13 -8.430 -3.324 -10.652 1.00 0.00 N ATOM 220 NH2 ARG A 13 -7.966 -1.730 -12.270 1.00 0.00 N ATOM 0 H ARG A 13 -6.124 -4.745 -5.919 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.134 -1.886 -6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.961 -4.242 -7.775 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.877 -2.775 -8.058 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.930 -1.536 -8.697 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.839 -2.703 -7.976 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.632 -3.556 -10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.200 -4.286 -9.807 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.629 -1.877 -11.450 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.106 -3.929 -9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.413 -3.329 -10.923 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.300 -1.124 -12.749 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.947 -1.729 -12.548 1.00 0.00 H new ATOM 233 N PHE A 14 -8.928 -3.521 -5.452 1.00 0.00 N ATOM 234 CA PHE A 14 -10.264 -3.380 -4.897 1.00 0.00 C ATOM 235 C PHE A 14 -10.242 -2.530 -3.625 1.00 0.00 C ATOM 236 O PHE A 14 -11.254 -1.937 -3.253 1.00 0.00 O ATOM 237 CB PHE A 14 -10.753 -4.787 -4.548 1.00 0.00 C ATOM 238 CG PHE A 14 -11.947 -5.255 -5.382 1.00 0.00 C ATOM 239 CD1 PHE A 14 -11.741 -5.896 -6.564 1.00 0.00 C ATOM 240 CD2 PHE A 14 -13.214 -5.031 -4.943 1.00 0.00 C ATOM 241 CE1 PHE A 14 -12.848 -6.331 -7.339 1.00 0.00 C ATOM 242 CE2 PHE A 14 -14.322 -5.466 -5.717 1.00 0.00 C ATOM 243 CZ PHE A 14 -14.116 -6.107 -6.899 1.00 0.00 C ATOM 0 H PHE A 14 -8.666 -4.476 -5.694 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.917 -2.889 -5.618 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.931 -5.490 -4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.027 -4.814 -3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.735 -6.074 -6.913 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -13.378 -4.522 -4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.684 -6.840 -8.278 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.328 -5.288 -5.367 1.00 0.00 H new ATOM 0 HZ PHE A 14 -14.959 -6.438 -7.488 1.00 0.00 H new ATOM 253 N GLN A 15 -9.078 -2.496 -2.994 1.00 0.00 N ATOM 254 CA GLN A 15 -8.911 -1.728 -1.772 1.00 0.00 C ATOM 255 C GLN A 15 -8.581 -0.271 -2.101 1.00 0.00 C ATOM 256 O GLN A 15 -9.167 0.647 -1.529 1.00 0.00 O ATOM 257 CB GLN A 15 -7.834 -2.346 -0.878 1.00 0.00 C ATOM 258 CG GLN A 15 -8.454 -3.278 0.165 1.00 0.00 C ATOM 259 CD GLN A 15 -8.571 -2.581 1.522 1.00 0.00 C ATOM 260 OE1 GLN A 15 -8.075 -3.048 2.534 1.00 0.00 O ATOM 261 NE2 GLN A 15 -9.254 -1.440 1.487 1.00 0.00 N ATOM 0 H GLN A 15 -8.241 -2.988 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.851 -1.751 -1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.123 -2.901 -1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.274 -1.556 -0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.441 -3.599 -0.169 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.844 -4.176 0.265 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.643 -1.105 0.606 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.388 -0.900 2.342 1.00 0.00 H new ATOM 270 N THR A 16 -7.644 -0.104 -3.023 1.00 0.00 N ATOM 271 CA THR A 16 -7.229 1.226 -3.435 1.00 0.00 C ATOM 272 C THR A 16 -8.411 1.992 -4.032 1.00 0.00 C ATOM 273 O THR A 16 -9.561 1.581 -3.884 1.00 0.00 O ATOM 274 CB THR A 16 -6.052 1.075 -4.402 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.497 0.100 -5.341 1.00 0.00 O ATOM 276 CG2 THR A 16 -4.832 0.429 -3.742 1.00 0.00 C ATOM 0 H THR A 16 -7.161 -0.868 -3.496 1.00 0.00 H new ATOM 0 HA THR A 16 -6.895 1.818 -2.583 1.00 0.00 H new ATOM 0 HB THR A 16 -5.776 2.054 -4.794 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.451 -0.075 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.026 0.345 -4.471 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.502 1.045 -2.905 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.098 -0.564 -3.379 1.00 0.00 H new ATOM 284 N ARG A 17 -8.088 3.094 -4.694 1.00 0.00 N ATOM 285 CA ARG A 17 -9.108 3.921 -5.313 1.00 0.00 C ATOM 286 C ARG A 17 -10.264 4.158 -4.339 1.00 0.00 C ATOM 287 O ARG A 17 -10.198 3.747 -3.181 1.00 0.00 O ATOM 288 CB ARG A 17 -9.650 3.268 -6.587 1.00 0.00 C ATOM 289 CG ARG A 17 -10.448 2.005 -6.258 1.00 0.00 C ATOM 290 CD ARG A 17 -11.348 1.605 -7.428 1.00 0.00 C ATOM 291 NE ARG A 17 -10.755 0.461 -8.156 1.00 0.00 N ATOM 292 CZ ARG A 17 -9.849 0.584 -9.149 1.00 0.00 C ATOM 293 NH1 ARG A 17 -9.424 1.803 -9.543 1.00 0.00 N ATOM 294 NH2 ARG A 17 -9.385 -0.507 -9.730 1.00 0.00 N ATOM 0 H ARG A 17 -7.133 3.433 -4.815 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.647 4.874 -5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.285 3.975 -7.121 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.823 3.017 -7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.764 1.189 -6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.055 2.176 -5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.339 1.338 -7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.476 2.450 -8.104 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.049 -0.479 -7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.788 2.641 -9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.739 1.886 -10.294 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.712 -1.425 -9.427 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.700 -0.432 -10.482 1.00 0.00 H new ATOM 307 N ARG A 18 -11.295 4.819 -4.843 1.00 0.00 N ATOM 308 CA ARG A 18 -12.464 5.115 -4.031 1.00 0.00 C ATOM 309 C ARG A 18 -12.048 5.829 -2.744 1.00 0.00 C ATOM 310 O ARG A 18 -11.536 5.201 -1.818 1.00 0.00 O ATOM 311 CB ARG A 18 -13.225 3.836 -3.675 1.00 0.00 C ATOM 312 CG ARG A 18 -14.726 4.107 -3.556 1.00 0.00 C ATOM 313 CD ARG A 18 -15.323 3.370 -2.356 1.00 0.00 C ATOM 314 NE ARG A 18 -16.784 3.597 -2.298 1.00 0.00 N ATOM 315 CZ ARG A 18 -17.593 3.082 -1.347 1.00 0.00 C ATOM 316 NH1 ARG A 18 -17.088 2.305 -0.365 1.00 0.00 N ATOM 317 NH2 ARG A 18 -18.884 3.350 -1.392 1.00 0.00 N ATOM 0 H ARG A 18 -11.346 5.158 -5.804 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.119 5.763 -4.614 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.048 3.079 -4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.849 3.434 -2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.899 5.178 -3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.230 3.790 -4.469 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.115 2.303 -2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.856 3.719 -1.435 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.207 4.179 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.089 2.103 -0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.706 1.920 0.349 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.257 3.938 -2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.509 2.969 -0.682 1.00 0.00 H new ATOM 330 N GLY A 19 -12.284 7.133 -2.725 1.00 0.00 N ATOM 331 CA GLY A 19 -11.941 7.940 -1.567 1.00 0.00 C ATOM 332 C GLY A 19 -11.422 9.315 -1.990 1.00 0.00 C ATOM 333 O GLY A 19 -11.948 10.340 -1.560 1.00 0.00 O ATOM 0 H GLY A 19 -12.709 7.651 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.817 8.059 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.183 7.428 -0.974 1.00 0.00 H new ATOM 337 N LEU A 20 -10.396 9.293 -2.828 1.00 0.00 N ATOM 338 CA LEU A 20 -9.800 10.525 -3.314 1.00 0.00 C ATOM 339 C LEU A 20 -9.379 10.342 -4.774 1.00 0.00 C ATOM 340 O LEU A 20 -8.910 9.272 -5.159 1.00 0.00 O ATOM 341 CB LEU A 20 -8.658 10.967 -2.396 1.00 0.00 C ATOM 342 CG LEU A 20 -8.967 12.134 -1.456 1.00 0.00 C ATOM 343 CD1 LEU A 20 -9.408 13.370 -2.242 1.00 0.00 C ATOM 344 CD2 LEU A 20 -9.997 11.729 -0.399 1.00 0.00 C ATOM 0 H LEU A 20 -9.962 8.441 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.529 11.335 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.351 10.112 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.805 11.242 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.051 12.399 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.621 14.184 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.612 13.672 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.306 13.136 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.199 12.577 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.921 11.422 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.606 10.900 0.191 1.00 0.00 H new ATOM 356 N LEU A 21 -9.562 11.403 -5.546 1.00 0.00 N ATOM 357 CA LEU A 21 -9.207 11.372 -6.955 1.00 0.00 C ATOM 358 C LEU A 21 -7.705 11.116 -7.093 1.00 0.00 C ATOM 359 O LEU A 21 -7.292 10.039 -7.520 1.00 0.00 O ATOM 360 CB LEU A 21 -9.680 12.648 -7.655 1.00 0.00 C ATOM 361 CG LEU A 21 -9.152 12.871 -9.073 1.00 0.00 C ATOM 362 CD1 LEU A 21 -9.577 11.731 -10.002 1.00 0.00 C ATOM 363 CD2 LEU A 21 -9.582 14.238 -9.610 1.00 0.00 C ATOM 0 H LEU A 21 -9.951 12.289 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.718 10.551 -7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.769 12.636 -7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.392 13.503 -7.043 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.063 12.868 -9.036 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.189 11.914 -11.004 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.180 10.788 -9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.665 11.678 -10.039 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.193 14.371 -10.620 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.670 14.295 -9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.189 15.023 -8.964 1.00 0.00 H new ATOM 375 N GLU A 22 -6.929 12.125 -6.724 1.00 0.00 N ATOM 376 CA GLU A 22 -5.482 12.023 -6.801 1.00 0.00 C ATOM 377 C GLU A 22 -5.021 10.645 -6.321 1.00 0.00 C ATOM 378 O GLU A 22 -4.106 10.057 -6.896 1.00 0.00 O ATOM 379 CB GLU A 22 -4.810 13.137 -5.997 1.00 0.00 C ATOM 380 CG GLU A 22 -3.548 13.639 -6.703 1.00 0.00 C ATOM 381 CD GLU A 22 -3.845 14.888 -7.535 1.00 0.00 C ATOM 382 OE1 GLU A 22 -4.070 14.785 -8.750 1.00 0.00 O ATOM 383 OE2 GLU A 22 -3.838 15.996 -6.875 1.00 0.00 O ATOM 0 H GLU A 22 -7.276 13.017 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.184 12.142 -7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.508 13.963 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.553 12.769 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.779 13.864 -5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.151 12.855 -7.347 1.00 0.00 H new ATOM 391 N LEU A 23 -5.674 10.171 -5.270 1.00 0.00 N ATOM 392 CA LEU A 23 -5.343 8.874 -4.706 1.00 0.00 C ATOM 393 C LEU A 23 -5.425 7.809 -5.802 1.00 0.00 C ATOM 394 O LEU A 23 -4.455 7.096 -6.054 1.00 0.00 O ATOM 395 CB LEU A 23 -6.225 8.576 -3.492 1.00 0.00 C ATOM 396 CG LEU A 23 -5.551 7.826 -2.341 1.00 0.00 C ATOM 397 CD1 LEU A 23 -4.283 7.116 -2.817 1.00 0.00 C ATOM 398 CD2 LEU A 23 -5.276 8.763 -1.163 1.00 0.00 C ATOM 0 H LEU A 23 -6.431 10.662 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.318 8.871 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.611 9.520 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.083 7.993 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.237 7.056 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.824 6.591 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.538 6.400 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.582 7.850 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.797 8.205 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.619 9.571 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.216 9.182 -0.804 1.00 0.00 H new ATOM 410 N ASP A 24 -6.593 7.735 -6.423 1.00 0.00 N ATOM 411 CA ASP A 24 -6.815 6.770 -7.486 1.00 0.00 C ATOM 412 C ASP A 24 -5.623 6.791 -8.446 1.00 0.00 C ATOM 413 O ASP A 24 -5.234 5.754 -8.981 1.00 0.00 O ATOM 414 CB ASP A 24 -8.073 7.112 -8.287 1.00 0.00 C ATOM 415 CG ASP A 24 -8.361 6.181 -9.467 1.00 0.00 C ATOM 416 OD1 ASP A 24 -7.783 5.090 -9.576 1.00 0.00 O ATOM 417 OD2 ASP A 24 -9.233 6.623 -10.309 1.00 0.00 O ATOM 0 H ASP A 24 -7.395 8.328 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.934 5.787 -7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.930 7.096 -7.614 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.981 8.131 -8.662 1.00 0.00 H new ATOM 423 N LEU A 25 -5.077 7.983 -8.634 1.00 0.00 N ATOM 424 CA LEU A 25 -3.937 8.153 -9.519 1.00 0.00 C ATOM 425 C LEU A 25 -2.677 7.629 -8.827 1.00 0.00 C ATOM 426 O LEU A 25 -1.983 6.767 -9.363 1.00 0.00 O ATOM 427 CB LEU A 25 -3.828 9.608 -9.978 1.00 0.00 C ATOM 428 CG LEU A 25 -5.149 10.362 -10.138 1.00 0.00 C ATOM 429 CD1 LEU A 25 -4.919 11.750 -10.739 1.00 0.00 C ATOM 430 CD2 LEU A 25 -6.153 9.544 -10.953 1.00 0.00 C ATOM 0 H LEU A 25 -5.403 8.841 -8.189 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.069 7.566 -10.428 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.209 10.148 -9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.303 9.628 -10.933 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.581 10.507 -9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.874 12.265 -10.842 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.265 12.326 -10.084 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.453 11.649 -11.719 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.083 10.103 -11.052 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.742 9.346 -11.943 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.350 8.599 -10.446 1.00 0.00 H new ATOM 442 N ILE A 26 -2.420 8.173 -7.647 1.00 0.00 N ATOM 443 CA ILE A 26 -1.255 7.772 -6.876 1.00 0.00 C ATOM 444 C ILE A 26 -1.054 6.261 -7.012 1.00 0.00 C ATOM 445 O ILE A 26 0.000 5.809 -7.456 1.00 0.00 O ATOM 446 CB ILE A 26 -1.381 8.248 -5.428 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.467 9.774 -5.357 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.242 7.697 -4.568 1.00 0.00 C ATOM 449 CD1 ILE A 26 -2.324 10.221 -4.171 1.00 0.00 C ATOM 0 H ILE A 26 -2.998 8.888 -7.206 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.357 8.250 -7.267 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.312 7.854 -5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.465 10.194 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.891 10.161 -6.283 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.356 8.051 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.271 6.607 -4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.713 8.040 -4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.368 11.310 -4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.332 9.819 -4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.883 9.853 -3.244 1.00 0.00 H new ATOM 461 N PHE A 27 -2.083 5.523 -6.622 1.00 0.00 N ATOM 462 CA PHE A 27 -2.033 4.072 -6.694 1.00 0.00 C ATOM 463 C PHE A 27 -1.514 3.609 -8.057 1.00 0.00 C ATOM 464 O PHE A 27 -0.699 2.692 -8.136 1.00 0.00 O ATOM 465 CB PHE A 27 -3.464 3.566 -6.507 1.00 0.00 C ATOM 466 CG PHE A 27 -4.013 3.758 -5.092 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.386 3.176 -4.035 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.127 4.511 -4.891 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.895 3.354 -2.721 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.636 4.690 -3.578 1.00 0.00 C ATOM 471 CZ PHE A 27 -5.009 4.107 -2.520 1.00 0.00 C ATOM 0 H PHE A 27 -2.956 5.902 -6.255 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.361 3.684 -5.929 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.116 4.083 -7.212 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.499 2.506 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.501 2.578 -4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.625 4.973 -5.731 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.397 2.891 -1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.521 5.289 -3.419 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.396 4.243 -1.521 1.00 0.00 H new ATOM 481 N GLY A 28 -2.008 4.265 -9.097 1.00 0.00 N ATOM 482 CA GLY A 28 -1.605 3.932 -10.452 1.00 0.00 C ATOM 483 C GLY A 28 -0.098 3.683 -10.530 1.00 0.00 C ATOM 484 O GLY A 28 0.340 2.666 -11.066 1.00 0.00 O ATOM 0 H GLY A 28 -2.684 5.026 -9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.142 3.044 -10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.879 4.743 -11.126 1.00 0.00 H new ATOM 488 N ARG A 29 0.655 4.629 -9.988 1.00 0.00 N ATOM 489 CA ARG A 29 2.104 4.525 -9.990 1.00 0.00 C ATOM 490 C ARG A 29 2.579 3.703 -8.789 1.00 0.00 C ATOM 491 O ARG A 29 3.250 2.686 -8.955 1.00 0.00 O ATOM 492 CB ARG A 29 2.756 5.908 -9.942 1.00 0.00 C ATOM 493 CG ARG A 29 3.056 6.422 -11.351 1.00 0.00 C ATOM 494 CD ARG A 29 4.547 6.300 -11.673 1.00 0.00 C ATOM 495 NE ARG A 29 4.747 6.265 -13.139 1.00 0.00 N ATOM 496 CZ ARG A 29 5.943 6.430 -13.744 1.00 0.00 C ATOM 497 NH1 ARG A 29 7.058 6.643 -13.012 1.00 0.00 N ATOM 498 NH2 ARG A 29 6.006 6.380 -15.061 1.00 0.00 N ATOM 0 H ARG A 29 0.289 5.471 -9.544 1.00 0.00 H new ATOM 0 HA ARG A 29 2.399 4.029 -10.914 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.096 6.607 -9.429 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.679 5.859 -9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.475 5.856 -12.080 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.746 7.464 -11.436 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.090 7.142 -11.244 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.952 5.395 -11.221 1.00 0.00 H new ATOM 0 HE ARG A 29 3.930 6.106 -13.729 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.001 6.680 -11.994 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.957 6.767 -13.477 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.159 6.219 -15.606 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.901 6.503 -15.534 1.00 0.00 H new ATOM 511 N PHE A 30 2.212 4.176 -7.607 1.00 0.00 N ATOM 512 CA PHE A 30 2.591 3.498 -6.380 1.00 0.00 C ATOM 513 C PHE A 30 2.532 1.978 -6.552 1.00 0.00 C ATOM 514 O PHE A 30 3.324 1.251 -5.955 1.00 0.00 O ATOM 515 CB PHE A 30 1.584 3.917 -5.307 1.00 0.00 C ATOM 516 CG PHE A 30 1.450 2.919 -4.155 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.549 2.271 -3.686 1.00 0.00 C ATOM 518 CD2 PHE A 30 0.231 2.681 -3.600 1.00 0.00 C ATOM 519 CE1 PHE A 30 2.424 1.344 -2.617 1.00 0.00 C ATOM 520 CE2 PHE A 30 0.106 1.755 -2.531 1.00 0.00 C ATOM 521 CZ PHE A 30 1.206 1.106 -2.062 1.00 0.00 C ATOM 0 H PHE A 30 1.656 5.021 -7.473 1.00 0.00 H new ATOM 0 HA PHE A 30 3.612 3.767 -6.107 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.881 4.885 -4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.608 4.052 -5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.517 2.461 -4.126 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.642 3.197 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.297 0.828 -2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.862 1.566 -2.090 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.112 0.402 -1.249 1.00 0.00 H new ATOM 531 N MET A 31 1.585 1.544 -7.370 1.00 0.00 N ATOM 532 CA MET A 31 1.412 0.125 -7.628 1.00 0.00 C ATOM 533 C MET A 31 2.420 -0.370 -8.667 1.00 0.00 C ATOM 534 O MET A 31 3.182 -1.300 -8.405 1.00 0.00 O ATOM 535 CB MET A 31 -0.009 -0.133 -8.132 1.00 0.00 C ATOM 536 CG MET A 31 -0.991 -0.258 -6.965 1.00 0.00 C ATOM 537 SD MET A 31 -2.635 0.182 -7.500 1.00 0.00 S ATOM 538 CE MET A 31 -2.817 -0.926 -8.888 1.00 0.00 C ATOM 0 H MET A 31 0.929 2.150 -7.863 1.00 0.00 H new ATOM 0 HA MET A 31 1.581 -0.417 -6.698 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.319 0.681 -8.787 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.027 -1.046 -8.727 1.00 0.00 H new ATOM 0 HG2 MET A 31 -0.985 -1.279 -6.582 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.680 0.391 -6.146 1.00 0.00 H new ATOM 0 HE1 MET A 31 -3.816 -0.820 -9.310 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.075 -0.682 -9.648 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.671 -1.954 -8.555 1.00 0.00 H new ATOM 548 N GLU A 32 2.392 0.273 -9.825 1.00 0.00 N ATOM 549 CA GLU A 32 3.294 -0.091 -10.905 1.00 0.00 C ATOM 550 C GLU A 32 4.720 -0.249 -10.375 1.00 0.00 C ATOM 551 O GLU A 32 5.534 -0.954 -10.971 1.00 0.00 O ATOM 552 CB GLU A 32 3.241 0.940 -12.035 1.00 0.00 C ATOM 553 CG GLU A 32 3.164 0.253 -13.400 1.00 0.00 C ATOM 554 CD GLU A 32 4.484 -0.444 -13.738 1.00 0.00 C ATOM 555 OE1 GLU A 32 4.569 -1.679 -13.667 1.00 0.00 O ATOM 556 OE2 GLU A 32 5.444 0.345 -14.085 1.00 0.00 O ATOM 0 H GLU A 32 1.759 1.044 -10.039 1.00 0.00 H new ATOM 0 HA GLU A 32 2.971 -1.048 -11.315 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.375 1.588 -11.901 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.125 1.576 -11.993 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.354 -0.476 -13.399 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.930 0.989 -14.169 1.00 0.00 H new ATOM 564 N LYS A 33 4.981 0.418 -9.260 1.00 0.00 N ATOM 565 CA LYS A 33 6.295 0.360 -8.643 1.00 0.00 C ATOM 566 C LYS A 33 6.321 -0.773 -7.615 1.00 0.00 C ATOM 567 O LYS A 33 7.232 -1.599 -7.620 1.00 0.00 O ATOM 568 CB LYS A 33 6.676 1.724 -8.064 1.00 0.00 C ATOM 569 CG LYS A 33 7.264 2.633 -9.145 1.00 0.00 C ATOM 570 CD LYS A 33 8.760 2.372 -9.327 1.00 0.00 C ATOM 571 CE LYS A 33 9.062 1.877 -10.743 1.00 0.00 C ATOM 572 NZ LYS A 33 10.499 2.043 -11.055 1.00 0.00 N ATOM 0 H LYS A 33 4.304 1.001 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 33 7.056 0.132 -9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.796 2.196 -7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.401 1.593 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.745 2.465 -10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.104 3.677 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.319 3.287 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.095 1.632 -8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.783 0.827 -10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.461 2.431 -11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.686 1.702 -12.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.755 3.049 -10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.067 1.495 -10.378 1.00 0.00 H new ATOM 585 N GLU A 34 5.310 -0.775 -6.758 1.00 0.00 N ATOM 586 CA GLU A 34 5.206 -1.793 -5.726 1.00 0.00 C ATOM 587 C GLU A 34 4.443 -3.009 -6.256 1.00 0.00 C ATOM 588 O GLU A 34 5.034 -4.062 -6.492 1.00 0.00 O ATOM 589 CB GLU A 34 4.540 -1.233 -4.468 1.00 0.00 C ATOM 590 CG GLU A 34 5.562 -0.528 -3.574 1.00 0.00 C ATOM 591 CD GLU A 34 6.445 0.417 -4.390 1.00 0.00 C ATOM 592 OE1 GLU A 34 5.931 1.342 -5.037 1.00 0.00 O ATOM 593 OE2 GLU A 34 7.709 0.165 -4.336 1.00 0.00 O ATOM 0 H GLU A 34 4.556 -0.088 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 34 6.212 -2.110 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.754 -0.533 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.063 -2.042 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.044 0.033 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.184 -1.269 -3.072 1.00 0.00 H new ATOM 601 N PHE A 35 3.143 -2.824 -6.426 1.00 0.00 N ATOM 602 CA PHE A 35 2.293 -3.892 -6.923 1.00 0.00 C ATOM 603 C PHE A 35 2.970 -4.642 -8.072 1.00 0.00 C ATOM 604 O PHE A 35 2.636 -5.793 -8.350 1.00 0.00 O ATOM 605 CB PHE A 35 1.010 -3.239 -7.442 1.00 0.00 C ATOM 606 CG PHE A 35 0.238 -4.097 -8.447 1.00 0.00 C ATOM 607 CD1 PHE A 35 -0.307 -5.279 -8.055 1.00 0.00 C ATOM 608 CD2 PHE A 35 0.097 -3.676 -9.733 1.00 0.00 C ATOM 609 CE1 PHE A 35 -1.024 -6.075 -8.988 1.00 0.00 C ATOM 610 CE2 PHE A 35 -0.619 -4.471 -10.666 1.00 0.00 C ATOM 611 CZ PHE A 35 -1.165 -5.654 -10.274 1.00 0.00 C ATOM 0 H PHE A 35 2.657 -1.949 -6.228 1.00 0.00 H new ATOM 0 HA PHE A 35 2.091 -4.608 -6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.360 -3.015 -6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.262 -2.288 -7.910 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.195 -5.613 -7.034 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.530 -2.737 -10.044 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.457 -7.014 -8.677 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.730 -4.137 -11.687 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.710 -6.259 -10.984 1.00 0.00 H new ATOM 621 N GLU A 36 3.910 -3.959 -8.710 1.00 0.00 N ATOM 622 CA GLU A 36 4.637 -4.546 -9.822 1.00 0.00 C ATOM 623 C GLU A 36 4.832 -6.047 -9.596 1.00 0.00 C ATOM 624 O GLU A 36 4.557 -6.852 -10.484 1.00 0.00 O ATOM 625 CB GLU A 36 5.980 -3.844 -10.031 1.00 0.00 C ATOM 626 CG GLU A 36 7.047 -4.412 -9.093 1.00 0.00 C ATOM 627 CD GLU A 36 8.388 -3.702 -9.293 1.00 0.00 C ATOM 628 OE1 GLU A 36 8.414 -2.522 -9.672 1.00 0.00 O ATOM 629 OE2 GLU A 36 9.429 -4.421 -9.040 1.00 0.00 O ATOM 0 H GLU A 36 4.184 -3.005 -8.477 1.00 0.00 H new ATOM 0 HA GLU A 36 4.048 -4.409 -10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.300 -3.964 -11.066 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.867 -2.774 -9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.723 -4.300 -8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.166 -5.480 -9.276 1.00 0.00 H new ATOM 637 N HIS A 37 5.305 -6.377 -8.404 1.00 0.00 N ATOM 638 CA HIS A 37 5.540 -7.766 -8.050 1.00 0.00 C ATOM 639 C HIS A 37 5.556 -7.913 -6.527 1.00 0.00 C ATOM 640 O HIS A 37 6.474 -8.508 -5.967 1.00 0.00 O ATOM 641 CB HIS A 37 6.820 -8.286 -8.709 1.00 0.00 C ATOM 642 CG HIS A 37 6.587 -9.372 -9.732 1.00 0.00 C ATOM 643 ND1 HIS A 37 6.770 -9.175 -11.089 1.00 0.00 N ATOM 644 CD2 HIS A 37 6.185 -10.666 -9.581 1.00 0.00 C ATOM 645 CE1 HIS A 37 6.487 -10.306 -11.718 1.00 0.00 C ATOM 646 NE2 HIS A 37 6.124 -11.229 -10.782 1.00 0.00 N ATOM 0 H HIS A 37 5.532 -5.706 -7.670 1.00 0.00 H new ATOM 0 HA HIS A 37 4.727 -8.384 -8.431 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.333 -7.453 -9.189 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.486 -8.667 -7.935 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.955 -11.151 -8.644 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.535 -10.469 -12.785 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.851 -12.193 -10.973 1.00 0.00 H new ATOM 654 N LEU A 38 4.527 -7.359 -5.901 1.00 0.00 N ATOM 655 CA LEU A 38 4.411 -7.421 -4.454 1.00 0.00 C ATOM 656 C LEU A 38 4.426 -8.884 -4.007 1.00 0.00 C ATOM 657 O LEU A 38 3.686 -9.708 -4.543 1.00 0.00 O ATOM 658 CB LEU A 38 3.179 -6.646 -3.982 1.00 0.00 C ATOM 659 CG LEU A 38 3.316 -5.123 -3.950 1.00 0.00 C ATOM 660 CD1 LEU A 38 1.959 -4.455 -3.720 1.00 0.00 C ATOM 661 CD2 LEU A 38 4.353 -4.687 -2.912 1.00 0.00 C ATOM 0 H LEU A 38 3.767 -6.866 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 38 5.265 -6.935 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.342 -6.902 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.921 -6.989 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 38 3.677 -4.792 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.085 -3.372 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.278 -4.727 -4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.546 -4.788 -2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.431 -3.600 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.046 -5.031 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.322 -5.120 -3.162 1.00 0.00 H new ATOM 673 N SER A 39 5.277 -9.162 -3.031 1.00 0.00 N ATOM 674 CA SER A 39 5.398 -10.512 -2.506 1.00 0.00 C ATOM 675 C SER A 39 4.200 -10.835 -1.611 1.00 0.00 C ATOM 676 O SER A 39 3.272 -10.036 -1.498 1.00 0.00 O ATOM 677 CB SER A 39 6.704 -10.685 -1.727 1.00 0.00 C ATOM 678 OG SER A 39 7.825 -10.177 -2.445 1.00 0.00 O ATOM 0 H SER A 39 5.889 -8.476 -2.590 1.00 0.00 H new ATOM 0 HA SER A 39 5.413 -11.206 -3.347 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.625 -10.172 -0.768 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.860 -11.742 -1.511 1.00 0.00 H new ATOM 0 HG SER A 39 8.639 -10.304 -1.914 1.00 0.00 H new ATOM 684 N ASP A 40 4.259 -12.008 -0.998 1.00 0.00 N ATOM 685 CA ASP A 40 3.191 -12.447 -0.117 1.00 0.00 C ATOM 686 C ASP A 40 3.239 -11.635 1.179 1.00 0.00 C ATOM 687 O ASP A 40 2.267 -10.970 1.536 1.00 0.00 O ATOM 688 CB ASP A 40 3.347 -13.925 0.245 1.00 0.00 C ATOM 689 CG ASP A 40 2.678 -14.344 1.556 1.00 0.00 C ATOM 690 OD1 ASP A 40 1.444 -14.431 1.644 1.00 0.00 O ATOM 691 OD2 ASP A 40 3.490 -14.590 2.528 1.00 0.00 O ATOM 0 H ASP A 40 5.031 -12.668 -1.094 1.00 0.00 H new ATOM 0 HA ASP A 40 2.244 -12.302 -0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.935 -14.527 -0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.410 -14.158 0.306 1.00 0.00 H new ATOM 697 N LYS A 41 4.379 -11.715 1.849 1.00 0.00 N ATOM 698 CA LYS A 41 4.567 -10.996 3.097 1.00 0.00 C ATOM 699 C LYS A 41 4.334 -9.503 2.860 1.00 0.00 C ATOM 700 O LYS A 41 3.851 -8.798 3.746 1.00 0.00 O ATOM 701 CB LYS A 41 5.936 -11.318 3.700 1.00 0.00 C ATOM 702 CG LYS A 41 6.024 -10.833 5.149 1.00 0.00 C ATOM 703 CD LYS A 41 5.757 -11.978 6.128 1.00 0.00 C ATOM 704 CE LYS A 41 5.382 -11.441 7.510 1.00 0.00 C ATOM 705 NZ LYS A 41 4.732 -12.497 8.318 1.00 0.00 N ATOM 0 H LYS A 41 5.183 -12.268 1.550 1.00 0.00 H new ATOM 0 HA LYS A 41 3.835 -11.319 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.111 -12.393 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.719 -10.846 3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.012 -10.413 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.301 -10.034 5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.952 -12.606 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.643 -12.608 6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.275 -11.081 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.710 -10.589 7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.484 -12.115 9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.869 -12.821 7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.386 -13.298 8.433 1.00 0.00 H new ATOM 718 N GLU A 42 4.688 -9.064 1.662 1.00 0.00 N ATOM 719 CA GLU A 42 4.524 -7.667 1.297 1.00 0.00 C ATOM 720 C GLU A 42 3.039 -7.311 1.214 1.00 0.00 C ATOM 721 O GLU A 42 2.598 -6.327 1.807 1.00 0.00 O ATOM 722 CB GLU A 42 5.237 -7.356 -0.020 1.00 0.00 C ATOM 723 CG GLU A 42 6.217 -6.194 0.147 1.00 0.00 C ATOM 724 CD GLU A 42 7.528 -6.668 0.776 1.00 0.00 C ATOM 725 OE1 GLU A 42 7.893 -7.845 0.637 1.00 0.00 O ATOM 726 OE2 GLU A 42 8.178 -5.765 1.429 1.00 0.00 O ATOM 0 H GLU A 42 5.088 -9.651 0.930 1.00 0.00 H new ATOM 0 HA GLU A 42 4.982 -7.053 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.772 -8.241 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.502 -7.109 -0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.418 -5.741 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.768 -5.422 0.772 1.00 0.00 H new ATOM 734 N LEU A 43 2.307 -8.131 0.474 1.00 0.00 N ATOM 735 CA LEU A 43 0.880 -7.915 0.306 1.00 0.00 C ATOM 736 C LEU A 43 0.238 -7.687 1.676 1.00 0.00 C ATOM 737 O LEU A 43 -0.511 -6.729 1.863 1.00 0.00 O ATOM 738 CB LEU A 43 0.253 -9.066 -0.483 1.00 0.00 C ATOM 739 CG LEU A 43 0.649 -9.163 -1.957 1.00 0.00 C ATOM 740 CD1 LEU A 43 0.763 -10.623 -2.400 1.00 0.00 C ATOM 741 CD2 LEU A 43 -0.320 -8.371 -2.838 1.00 0.00 C ATOM 0 H LEU A 43 2.676 -8.946 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 43 0.698 -7.018 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.519 -10.003 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.831 -8.972 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 43 1.635 -8.713 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.046 -10.663 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.522 -11.127 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.197 -11.121 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.016 -8.456 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.328 -8.769 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.307 -7.322 -2.541 1.00 0.00 H new ATOM 753 N SER A 44 0.555 -8.583 2.599 1.00 0.00 N ATOM 754 CA SER A 44 0.018 -8.492 3.946 1.00 0.00 C ATOM 755 C SER A 44 0.027 -7.035 4.415 1.00 0.00 C ATOM 756 O SER A 44 -1.019 -6.481 4.749 1.00 0.00 O ATOM 757 CB SER A 44 0.815 -9.366 4.917 1.00 0.00 C ATOM 758 OG SER A 44 0.191 -10.629 5.133 1.00 0.00 O ATOM 0 H SER A 44 1.177 -9.376 2.441 1.00 0.00 H new ATOM 0 HA SER A 44 -1.009 -8.857 3.930 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.820 -9.520 4.524 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.921 -8.846 5.869 1.00 0.00 H new ATOM 0 HG SER A 44 0.731 -11.158 5.757 1.00 0.00 H new ATOM 764 N GLU A 45 1.219 -6.457 4.425 1.00 0.00 N ATOM 765 CA GLU A 45 1.377 -5.076 4.848 1.00 0.00 C ATOM 766 C GLU A 45 0.438 -4.167 4.053 1.00 0.00 C ATOM 767 O GLU A 45 -0.320 -3.391 4.634 1.00 0.00 O ATOM 768 CB GLU A 45 2.831 -4.622 4.704 1.00 0.00 C ATOM 769 CG GLU A 45 3.750 -5.425 5.626 1.00 0.00 C ATOM 770 CD GLU A 45 3.222 -5.425 7.062 1.00 0.00 C ATOM 771 OE1 GLU A 45 2.953 -4.352 7.624 1.00 0.00 O ATOM 772 OE2 GLU A 45 3.093 -6.592 7.596 1.00 0.00 O ATOM 0 H GLU A 45 2.084 -6.920 4.147 1.00 0.00 H new ATOM 0 HA GLU A 45 1.112 -5.007 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.153 -4.742 3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.910 -3.561 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.829 -6.450 5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.754 -5.001 5.604 1.00 0.00 H new ATOM 780 N PHE A 46 0.517 -4.293 2.736 1.00 0.00 N ATOM 781 CA PHE A 46 -0.316 -3.492 1.856 1.00 0.00 C ATOM 782 C PHE A 46 -1.780 -3.531 2.302 1.00 0.00 C ATOM 783 O PHE A 46 -2.403 -2.488 2.489 1.00 0.00 O ATOM 784 CB PHE A 46 -0.205 -4.103 0.457 1.00 0.00 C ATOM 785 CG PHE A 46 0.483 -3.195 -0.564 1.00 0.00 C ATOM 786 CD1 PHE A 46 1.839 -3.093 -0.579 1.00 0.00 C ATOM 787 CD2 PHE A 46 -0.262 -2.491 -1.459 1.00 0.00 C ATOM 788 CE1 PHE A 46 2.477 -2.250 -1.527 1.00 0.00 C ATOM 789 CE2 PHE A 46 0.377 -1.649 -2.407 1.00 0.00 C ATOM 790 CZ PHE A 46 1.733 -1.547 -2.421 1.00 0.00 C ATOM 0 H PHE A 46 1.146 -4.938 2.257 1.00 0.00 H new ATOM 0 HA PHE A 46 0.014 -2.453 1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.346 -5.041 0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.205 -4.346 0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.431 -3.653 0.130 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.339 -2.573 -1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.554 -2.167 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.214 -1.089 -3.117 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.219 -0.907 -3.143 1.00 0.00 H new ATOM 800 N SER A 47 -2.285 -4.746 2.458 1.00 0.00 N ATOM 801 CA SER A 47 -3.663 -4.934 2.878 1.00 0.00 C ATOM 802 C SER A 47 -3.876 -4.326 4.265 1.00 0.00 C ATOM 803 O SER A 47 -4.979 -3.894 4.596 1.00 0.00 O ATOM 804 CB SER A 47 -4.039 -6.417 2.885 1.00 0.00 C ATOM 805 OG SER A 47 -5.395 -6.623 3.272 1.00 0.00 O ATOM 0 H SER A 47 -1.765 -5.609 2.301 1.00 0.00 H new ATOM 0 HA SER A 47 -4.310 -4.426 2.163 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.878 -6.836 1.892 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.381 -6.954 3.568 1.00 0.00 H new ATOM 0 HG SER A 47 -5.596 -7.582 3.262 1.00 0.00 H new ATOM 811 N GLU A 48 -2.801 -4.311 5.041 1.00 0.00 N ATOM 812 CA GLU A 48 -2.856 -3.763 6.385 1.00 0.00 C ATOM 813 C GLU A 48 -2.844 -2.234 6.336 1.00 0.00 C ATOM 814 O GLU A 48 -3.561 -1.579 7.090 1.00 0.00 O ATOM 815 CB GLU A 48 -1.703 -4.293 7.241 1.00 0.00 C ATOM 816 CG GLU A 48 -2.142 -5.511 8.057 1.00 0.00 C ATOM 817 CD GLU A 48 -2.383 -6.720 7.152 1.00 0.00 C ATOM 818 OE1 GLU A 48 -1.491 -7.568 6.999 1.00 0.00 O ATOM 819 OE2 GLU A 48 -3.547 -6.762 6.597 1.00 0.00 O ATOM 0 H GLU A 48 -1.887 -4.670 4.764 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.788 -4.085 6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.864 -4.563 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.352 -3.508 7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.378 -5.752 8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.054 -5.276 8.606 1.00 0.00 H new ATOM 827 N ILE A 49 -2.020 -1.709 5.440 1.00 0.00 N ATOM 828 CA ILE A 49 -1.905 -0.269 5.283 1.00 0.00 C ATOM 829 C ILE A 49 -3.119 0.254 4.512 1.00 0.00 C ATOM 830 O ILE A 49 -3.732 1.243 4.910 1.00 0.00 O ATOM 831 CB ILE A 49 -0.565 0.094 4.639 1.00 0.00 C ATOM 832 CG1 ILE A 49 0.349 0.805 5.639 1.00 0.00 C ATOM 833 CG2 ILE A 49 -0.773 0.917 3.367 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.514 1.493 4.925 1.00 0.00 C ATOM 0 H ILE A 49 -1.426 -2.255 4.816 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.909 0.222 6.256 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.065 -0.830 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.225 1.543 6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.735 0.085 6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.195 1.162 2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.359 0.340 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.303 1.837 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.148 1.991 5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.100 0.749 4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.126 2.230 4.222 1.00 0.00 H new ATOM 846 N LEU A 50 -3.430 -0.434 3.423 1.00 0.00 N ATOM 847 CA LEU A 50 -4.560 -0.052 2.593 1.00 0.00 C ATOM 848 C LEU A 50 -5.822 0.010 3.455 1.00 0.00 C ATOM 849 O LEU A 50 -6.810 0.635 3.072 1.00 0.00 O ATOM 850 CB LEU A 50 -4.682 -0.988 1.390 1.00 0.00 C ATOM 851 CG LEU A 50 -3.541 -0.926 0.372 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.598 -2.114 -0.589 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.541 0.413 -0.369 1.00 0.00 C ATOM 0 H LEU A 50 -2.919 -1.254 3.096 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.408 0.944 2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.759 -2.011 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.615 -0.764 0.874 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.597 -0.995 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.776 -2.045 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.512 -3.043 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.546 -2.102 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.721 0.432 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.487 0.537 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.415 1.225 0.347 1.00 0.00 H new ATOM 865 N GLU A 51 -5.749 -0.646 4.604 1.00 0.00 N ATOM 866 CA GLU A 51 -6.873 -0.673 5.524 1.00 0.00 C ATOM 867 C GLU A 51 -7.591 0.678 5.524 1.00 0.00 C ATOM 868 O GLU A 51 -8.814 0.735 5.645 1.00 0.00 O ATOM 869 CB GLU A 51 -6.419 -1.053 6.934 1.00 0.00 C ATOM 870 CG GLU A 51 -6.287 -2.571 7.077 1.00 0.00 C ATOM 871 CD GLU A 51 -7.400 -3.138 7.961 1.00 0.00 C ATOM 872 OE1 GLU A 51 -7.740 -2.537 8.991 1.00 0.00 O ATOM 873 OE2 GLU A 51 -7.919 -4.242 7.543 1.00 0.00 O ATOM 0 H GLU A 51 -4.928 -1.163 4.919 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.575 -1.436 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.462 -0.579 7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.135 -0.676 7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.327 -3.037 6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.316 -2.816 7.507 1.00 0.00 H new ATOM 881 N PHE A 52 -6.801 1.732 5.388 1.00 0.00 N ATOM 882 CA PHE A 52 -7.346 3.079 5.372 1.00 0.00 C ATOM 883 C PHE A 52 -7.796 3.471 3.963 1.00 0.00 C ATOM 884 O PHE A 52 -7.269 2.962 2.975 1.00 0.00 O ATOM 885 CB PHE A 52 -6.225 4.021 5.816 1.00 0.00 C ATOM 886 CG PHE A 52 -6.310 4.440 7.285 1.00 0.00 C ATOM 887 CD1 PHE A 52 -7.416 5.083 7.745 1.00 0.00 C ATOM 888 CD2 PHE A 52 -5.280 4.170 8.131 1.00 0.00 C ATOM 889 CE1 PHE A 52 -7.496 5.472 9.109 1.00 0.00 C ATOM 890 CE2 PHE A 52 -5.359 4.559 9.494 1.00 0.00 C ATOM 891 CZ PHE A 52 -6.465 5.202 9.954 1.00 0.00 C ATOM 0 H PHE A 52 -5.787 1.681 5.288 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.212 3.138 6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.265 3.534 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.247 4.914 5.192 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.234 5.298 7.073 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.401 3.659 7.766 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.375 5.982 9.475 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.541 4.344 10.165 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.525 5.499 10.991 1.00 0.00 H new ATOM 901 N GLN A 53 -8.766 4.372 3.916 1.00 0.00 N ATOM 902 CA GLN A 53 -9.294 4.838 2.644 1.00 0.00 C ATOM 903 C GLN A 53 -8.347 5.867 2.022 1.00 0.00 C ATOM 904 O GLN A 53 -7.365 6.268 2.644 1.00 0.00 O ATOM 905 CB GLN A 53 -10.699 5.418 2.813 1.00 0.00 C ATOM 906 CG GLN A 53 -11.460 4.695 3.926 1.00 0.00 C ATOM 907 CD GLN A 53 -12.906 4.414 3.510 1.00 0.00 C ATOM 908 OE1 GLN A 53 -13.322 4.689 2.396 1.00 0.00 O ATOM 909 NE2 GLN A 53 -13.644 3.853 4.463 1.00 0.00 N ATOM 0 H GLN A 53 -9.200 4.792 4.738 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.368 3.985 1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.632 6.481 3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.248 5.330 1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.958 3.757 4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.450 5.302 4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.232 3.650 5.374 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.622 3.626 4.283 1.00 0.00 H new ATOM 918 N ASP A 54 -8.677 6.266 0.803 1.00 0.00 N ATOM 919 CA ASP A 54 -7.869 7.241 0.090 1.00 0.00 C ATOM 920 C ASP A 54 -7.654 8.467 0.979 1.00 0.00 C ATOM 921 O ASP A 54 -6.525 8.771 1.361 1.00 0.00 O ATOM 922 CB ASP A 54 -8.566 7.702 -1.191 1.00 0.00 C ATOM 923 CG ASP A 54 -9.195 6.584 -2.025 1.00 0.00 C ATOM 924 OD1 ASP A 54 -9.686 6.817 -3.139 1.00 0.00 O ATOM 925 OD2 ASP A 54 -9.168 5.416 -1.478 1.00 0.00 O ATOM 0 H ASP A 54 -9.493 5.932 0.290 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.920 6.770 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.344 8.418 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.842 8.232 -1.810 1.00 0.00 H new ATOM 931 N GLN A 55 -8.755 9.138 1.284 1.00 0.00 N ATOM 932 CA GLN A 55 -8.701 10.324 2.121 1.00 0.00 C ATOM 933 C GLN A 55 -7.755 10.097 3.302 1.00 0.00 C ATOM 934 O GLN A 55 -6.757 10.801 3.446 1.00 0.00 O ATOM 935 CB GLN A 55 -10.098 10.718 2.605 1.00 0.00 C ATOM 936 CG GLN A 55 -10.178 12.219 2.887 1.00 0.00 C ATOM 937 CD GLN A 55 -10.318 12.488 4.387 1.00 0.00 C ATOM 938 OE1 GLN A 55 -10.511 11.590 5.190 1.00 0.00 O ATOM 939 NE2 GLN A 55 -10.211 13.772 4.719 1.00 0.00 N ATOM 0 H GLN A 55 -9.690 8.883 0.966 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.314 11.149 1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.838 10.446 1.852 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.344 10.161 3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.283 12.712 2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.028 12.648 2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.049 14.474 3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.291 14.055 5.696 1.00 0.00 H new ATOM 948 N GLU A 56 -8.104 9.113 4.117 1.00 0.00 N ATOM 949 CA GLU A 56 -7.299 8.784 5.281 1.00 0.00 C ATOM 950 C GLU A 56 -5.851 8.516 4.867 1.00 0.00 C ATOM 951 O GLU A 56 -4.918 9.007 5.502 1.00 0.00 O ATOM 952 CB GLU A 56 -7.884 7.587 6.033 1.00 0.00 C ATOM 953 CG GLU A 56 -9.069 8.012 6.903 1.00 0.00 C ATOM 954 CD GLU A 56 -10.356 7.318 6.452 1.00 0.00 C ATOM 955 OE1 GLU A 56 -10.782 7.489 5.300 1.00 0.00 O ATOM 956 OE2 GLU A 56 -10.919 6.579 7.347 1.00 0.00 O ATOM 0 H GLU A 56 -8.934 8.533 3.994 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.311 9.638 5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.205 6.827 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.114 7.133 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.866 7.767 7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.196 9.093 6.848 1.00 0.00 H new ATOM 964 N LEU A 57 -5.707 7.739 3.803 1.00 0.00 N ATOM 965 CA LEU A 57 -4.388 7.400 3.296 1.00 0.00 C ATOM 966 C LEU A 57 -3.607 8.686 3.019 1.00 0.00 C ATOM 967 O LEU A 57 -2.553 8.916 3.610 1.00 0.00 O ATOM 968 CB LEU A 57 -4.502 6.476 2.082 1.00 0.00 C ATOM 969 CG LEU A 57 -3.185 6.091 1.406 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.330 5.218 2.327 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.438 5.422 0.054 1.00 0.00 C ATOM 0 H LEU A 57 -6.482 7.335 3.278 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.825 6.839 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.009 5.562 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.140 6.959 1.342 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.621 7.003 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.400 4.959 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.106 5.766 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.875 4.307 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.485 5.158 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.032 4.520 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.977 6.110 -0.597 1.00 0.00 H new ATOM 983 N LEU A 58 -4.154 9.491 2.120 1.00 0.00 N ATOM 984 CA LEU A 58 -3.522 10.747 1.757 1.00 0.00 C ATOM 985 C LEU A 58 -3.106 11.490 3.029 1.00 0.00 C ATOM 986 O LEU A 58 -1.921 11.739 3.247 1.00 0.00 O ATOM 987 CB LEU A 58 -4.437 11.563 0.840 1.00 0.00 C ATOM 988 CG LEU A 58 -3.740 12.370 -0.257 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.243 11.455 -1.378 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.651 13.480 -0.783 1.00 0.00 C ATOM 0 H LEU A 58 -5.029 9.297 1.632 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.614 10.564 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.146 10.883 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.017 12.250 1.456 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.864 12.852 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.751 12.053 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.535 10.733 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.088 10.926 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.132 14.039 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.559 13.040 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.913 14.153 0.033 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.104 11.823 3.834 1.00 0.00 N ATOM 1003 CA ALA A 59 -3.856 12.532 5.078 1.00 0.00 C ATOM 1004 C ALA A 59 -2.715 11.846 5.833 1.00 0.00 C ATOM 1005 O ALA A 59 -1.804 12.511 6.325 1.00 0.00 O ATOM 1006 CB ALA A 59 -5.146 12.588 5.899 1.00 0.00 C ATOM 0 H ALA A 59 -5.085 11.615 3.649 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.550 13.559 4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.961 13.120 6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.916 13.110 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.481 11.575 6.119 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.802 10.526 5.900 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.788 9.743 6.585 1.00 0.00 C ATOM 1014 C LEU A 60 -0.409 10.105 6.030 1.00 0.00 C ATOM 1015 O LEU A 60 0.455 10.581 6.766 1.00 0.00 O ATOM 1016 CB LEU A 60 -2.113 8.251 6.499 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.747 7.629 7.745 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.300 6.236 7.442 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.758 7.612 8.912 1.00 0.00 C ATOM 0 H LEU A 60 -3.559 9.979 5.491 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.777 9.982 7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.786 8.094 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.193 7.711 6.276 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.590 8.251 8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.745 5.817 8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.059 6.307 6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.491 5.589 7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.233 7.165 9.785 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.881 7.027 8.637 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.454 8.632 9.147 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.245 9.865 4.738 1.00 0.00 N ATOM 1032 CA ILE A 61 1.015 10.160 4.076 1.00 0.00 C ATOM 1033 C ILE A 61 1.466 11.572 4.453 1.00 0.00 C ATOM 1034 O ILE A 61 2.619 11.779 4.828 1.00 0.00 O ATOM 1035 CB ILE A 61 0.892 9.936 2.567 1.00 0.00 C ATOM 1036 CG1 ILE A 61 0.660 8.457 2.249 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.110 10.496 1.829 1.00 0.00 C ATOM 1038 CD1 ILE A 61 -0.067 8.291 0.914 1.00 0.00 C ATOM 0 H ILE A 61 -0.963 9.470 4.131 1.00 0.00 H new ATOM 0 HA ILE A 61 1.793 9.476 4.415 1.00 0.00 H new ATOM 0 HB ILE A 61 0.019 10.483 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.616 7.935 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.075 7.998 3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.998 10.324 0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.189 11.567 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.012 9.997 2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.219 7.231 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.033 8.794 0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.532 8.730 0.116 1.00 0.00 H new ATOM 1050 N ASN A 62 0.534 12.507 4.341 1.00 0.00 N ATOM 1051 CA ASN A 62 0.822 13.893 4.666 1.00 0.00 C ATOM 1052 C ASN A 62 1.256 13.990 6.130 1.00 0.00 C ATOM 1053 O ASN A 62 2.040 14.867 6.491 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.418 14.771 4.482 1.00 0.00 C ATOM 1055 CG ASN A 62 -0.458 15.375 3.076 1.00 0.00 C ATOM 1056 OD1 ASN A 62 0.097 16.428 2.809 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -1.145 14.652 2.196 1.00 0.00 N ATOM 0 H ASN A 62 -0.421 12.332 4.030 1.00 0.00 H new ATOM 0 HA ASN A 62 1.611 14.238 3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.317 14.178 4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.417 15.569 5.225 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.231 14.971 1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.585 13.779 2.486 1.00 0.00 H new ATOM 1064 N GLY A 63 0.728 13.077 6.932 1.00 0.00 N ATOM 1065 CA GLY A 63 1.052 13.049 8.348 1.00 0.00 C ATOM 1066 C GLY A 63 -0.152 13.470 9.194 1.00 0.00 C ATOM 1067 O GLY A 63 -0.015 13.730 10.388 1.00 0.00 O ATOM 0 H GLY A 63 0.078 12.352 6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.368 12.045 8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.891 13.716 8.546 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.304 13.523 8.541 1.00 0.00 N ATOM 1072 CA HIS A 64 -2.530 13.908 9.219 1.00 0.00 C ATOM 1073 C HIS A 64 -2.980 12.778 10.147 1.00 0.00 C ATOM 1074 O HIS A 64 -2.735 12.826 11.352 1.00 0.00 O ATOM 1075 CB HIS A 64 -3.607 14.308 8.208 1.00 0.00 C ATOM 1076 CG HIS A 64 -3.943 15.780 8.218 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -5.146 16.271 8.693 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -3.220 16.862 7.808 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -5.138 17.590 8.569 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -3.944 17.954 8.020 1.00 0.00 N ATOM 0 H HIS A 64 -1.414 13.306 7.550 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.347 14.788 9.836 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.274 14.029 7.208 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.513 13.738 8.413 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.227 16.835 7.383 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.937 18.259 8.853 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.655 18.909 7.807 1.00 0.00 H new ATOM 1088 N SER A 65 -3.628 11.788 9.552 1.00 0.00 N ATOM 1089 CA SER A 65 -4.114 10.648 10.310 1.00 0.00 C ATOM 1090 C SER A 65 -2.937 9.889 10.926 1.00 0.00 C ATOM 1091 O SER A 65 -1.791 10.082 10.523 1.00 0.00 O ATOM 1092 CB SER A 65 -4.945 9.714 9.429 1.00 0.00 C ATOM 1093 OG SER A 65 -6.345 9.909 9.616 1.00 0.00 O ATOM 0 H SER A 65 -3.828 11.752 8.552 1.00 0.00 H new ATOM 0 HA SER A 65 -4.758 11.018 11.108 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.692 9.883 8.382 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.690 8.679 9.656 1.00 0.00 H new ATOM 0 HG SER A 65 -6.841 9.296 9.035 1.00 0.00 H new ATOM 1099 N GLU A 66 -3.260 9.043 11.892 1.00 0.00 N ATOM 1100 CA GLU A 66 -2.244 8.254 12.568 1.00 0.00 C ATOM 1101 C GLU A 66 -2.480 6.762 12.323 1.00 0.00 C ATOM 1102 O GLU A 66 -3.536 6.370 11.828 1.00 0.00 O ATOM 1103 CB GLU A 66 -2.213 8.566 14.065 1.00 0.00 C ATOM 1104 CG GLU A 66 -1.287 9.747 14.360 1.00 0.00 C ATOM 1105 CD GLU A 66 -0.398 9.457 15.572 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -0.644 9.991 16.663 1.00 0.00 O ATOM 1107 OE2 GLU A 66 0.579 8.644 15.349 1.00 0.00 O ATOM 0 H GLU A 66 -4.212 8.886 12.223 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.271 8.520 12.155 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.220 8.793 14.414 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.876 7.688 14.616 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.665 9.952 13.489 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.881 10.642 14.546 1.00 0.00 H new ATOM 1115 N THR A 67 -1.479 5.971 12.680 1.00 0.00 N ATOM 1116 CA THR A 67 -1.565 4.531 12.505 1.00 0.00 C ATOM 1117 C THR A 67 -1.519 3.825 13.862 1.00 0.00 C ATOM 1118 O THR A 67 -0.566 3.994 14.622 1.00 0.00 O ATOM 1119 CB THR A 67 -0.442 4.102 11.559 1.00 0.00 C ATOM 1120 OG1 THR A 67 -0.554 2.682 11.508 1.00 0.00 O ATOM 1121 CG2 THR A 67 0.948 4.344 12.151 1.00 0.00 C ATOM 0 H THR A 67 -0.605 6.300 13.089 1.00 0.00 H new ATOM 0 HA THR A 67 -2.516 4.243 12.056 1.00 0.00 H new ATOM 0 HB THR A 67 -0.535 4.643 10.618 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.248 2.276 11.900 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.708 4.022 11.439 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.074 5.406 12.361 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.054 3.776 13.076 1.00 0.00 H new ATOM 1129 N ASP A 68 -2.560 3.050 14.125 1.00 0.00 N ATOM 1130 CA ASP A 68 -2.650 2.318 15.377 1.00 0.00 C ATOM 1131 C ASP A 68 -1.810 1.043 15.280 1.00 0.00 C ATOM 1132 O ASP A 68 -1.852 0.198 16.173 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.095 1.910 15.674 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.399 1.634 17.148 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -3.523 1.199 17.910 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.611 1.887 17.511 1.00 0.00 O ATOM 0 H ASP A 68 -3.349 2.913 13.493 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.287 2.968 16.173 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.759 2.700 15.323 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.330 1.016 15.096 1.00 0.00 H new ATOM 1142 N LYS A 69 -1.068 0.944 14.187 1.00 0.00 N ATOM 1143 CA LYS A 69 -0.219 -0.214 13.961 1.00 0.00 C ATOM 1144 C LYS A 69 1.167 0.255 13.513 1.00 0.00 C ATOM 1145 O LYS A 69 1.305 0.884 12.465 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.886 -1.184 12.984 1.00 0.00 C ATOM 1147 CG LYS A 69 -2.264 -1.612 13.491 1.00 0.00 C ATOM 1148 CD LYS A 69 -3.374 -1.066 12.590 1.00 0.00 C ATOM 1149 CE LYS A 69 -3.939 -2.166 11.689 1.00 0.00 C ATOM 1150 NZ LYS A 69 -4.713 -1.575 10.574 1.00 0.00 N ATOM 0 H LYS A 69 -1.037 1.646 13.448 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.083 -0.773 14.886 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.985 -0.711 12.007 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.255 -2.063 12.850 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.321 -2.700 13.525 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.408 -1.253 14.510 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.172 -0.647 13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.983 -0.254 11.977 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.125 -2.774 11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.578 -2.829 12.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.090 -2.335 9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.501 -1.014 10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.093 -0.960 10.009 1.00 0.00 H new ATOM 1163 N GLY A 70 2.159 -0.070 14.329 1.00 0.00 N ATOM 1164 CA GLY A 70 3.529 0.309 14.030 1.00 0.00 C ATOM 1165 C GLY A 70 4.073 -0.491 12.845 1.00 0.00 C ATOM 1166 O GLY A 70 5.206 -0.278 12.415 1.00 0.00 O ATOM 0 H GLY A 70 2.041 -0.592 15.197 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.575 1.375 13.805 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.156 0.141 14.906 1.00 0.00 H new ATOM 1170 N HIS A 71 3.241 -1.396 12.351 1.00 0.00 N ATOM 1171 CA HIS A 71 3.625 -2.230 11.224 1.00 0.00 C ATOM 1172 C HIS A 71 3.439 -1.449 9.922 1.00 0.00 C ATOM 1173 O HIS A 71 3.742 -1.955 8.842 1.00 0.00 O ATOM 1174 CB HIS A 71 2.855 -3.551 11.239 1.00 0.00 C ATOM 1175 CG HIS A 71 3.543 -4.654 12.008 1.00 0.00 C ATOM 1176 ND1 HIS A 71 4.698 -5.271 11.561 1.00 0.00 N ATOM 1177 CD2 HIS A 71 3.226 -5.243 13.197 1.00 0.00 C ATOM 1178 CE1 HIS A 71 5.052 -6.189 12.449 1.00 0.00 C ATOM 1179 NE2 HIS A 71 4.138 -6.171 13.462 1.00 0.00 N ATOM 0 H HIS A 71 2.302 -1.570 12.710 1.00 0.00 H new ATOM 0 HA HIS A 71 4.680 -2.492 11.302 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.869 -3.380 11.672 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.699 -3.881 10.212 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.377 -4.996 13.818 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.913 -6.838 12.382 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.153 -6.771 14.287 1.00 0.00 H new ATOM 1187 N LEU A 72 2.941 -0.230 10.066 1.00 0.00 N ATOM 1188 CA LEU A 72 2.710 0.625 8.914 1.00 0.00 C ATOM 1189 C LEU A 72 3.735 1.761 8.914 1.00 0.00 C ATOM 1190 O LEU A 72 4.136 2.241 7.855 1.00 0.00 O ATOM 1191 CB LEU A 72 1.258 1.107 8.886 1.00 0.00 C ATOM 1192 CG LEU A 72 0.213 0.118 9.408 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -1.139 0.805 9.608 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.107 -1.102 8.492 1.00 0.00 C ATOM 0 H LEU A 72 2.691 0.186 10.963 1.00 0.00 H new ATOM 0 HA LEU A 72 2.853 0.065 7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.188 2.022 9.474 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.002 1.367 7.859 1.00 0.00 H new ATOM 0 HG LEU A 72 0.539 -0.241 10.384 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.864 0.081 9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.032 1.615 10.330 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.485 1.210 8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.642 -1.789 8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.184 -0.782 7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.072 -1.606 8.445 1.00 0.00 H new ATOM 1206 N ILE A 73 4.130 2.159 10.115 1.00 0.00 N ATOM 1207 CA ILE A 73 5.100 3.229 10.267 1.00 0.00 C ATOM 1208 C ILE A 73 6.205 3.063 9.222 1.00 0.00 C ATOM 1209 O ILE A 73 6.542 4.010 8.514 1.00 0.00 O ATOM 1210 CB ILE A 73 5.618 3.282 11.706 1.00 0.00 C ATOM 1211 CG1 ILE A 73 4.769 4.225 12.560 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.101 3.656 11.741 1.00 0.00 C ATOM 1213 CD1 ILE A 73 5.576 4.775 13.738 1.00 0.00 C ATOM 0 H ILE A 73 3.795 1.759 10.992 1.00 0.00 H new ATOM 0 HA ILE A 73 4.631 4.196 10.085 1.00 0.00 H new ATOM 0 HB ILE A 73 5.527 2.286 12.139 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.407 5.050 11.946 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.892 3.695 12.931 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.444 3.687 12.775 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.677 2.913 11.190 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.240 4.635 11.283 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.949 5.443 14.329 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.916 3.949 14.363 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.439 5.325 13.363 1.00 0.00 H new ATOM 1225 N PRO A 74 6.752 1.819 9.156 1.00 0.00 N ATOM 1226 CA PRO A 74 7.812 1.517 8.209 1.00 0.00 C ATOM 1227 C PRO A 74 7.257 1.385 6.790 1.00 0.00 C ATOM 1228 O PRO A 74 7.775 1.998 5.857 1.00 0.00 O ATOM 1229 CB PRO A 74 8.442 0.232 8.722 1.00 0.00 C ATOM 1230 CG PRO A 74 7.423 -0.385 9.666 1.00 0.00 C ATOM 1231 CD PRO A 74 6.378 0.673 9.979 1.00 0.00 C ATOM 0 HA PRO A 74 8.556 2.311 8.142 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.672 -0.445 7.900 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.380 0.436 9.239 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.957 -1.258 9.208 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.907 -0.726 10.581 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.375 0.322 9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.379 0.929 11.038 1.00 0.00 H new ATOM 1239 N MET A 75 6.210 0.582 6.670 1.00 0.00 N ATOM 1240 CA MET A 75 5.579 0.362 5.379 1.00 0.00 C ATOM 1241 C MET A 75 5.168 1.688 4.737 1.00 0.00 C ATOM 1242 O MET A 75 5.074 1.787 3.514 1.00 0.00 O ATOM 1243 CB MET A 75 4.344 -0.523 5.559 1.00 0.00 C ATOM 1244 CG MET A 75 4.719 -1.868 6.185 1.00 0.00 C ATOM 1245 SD MET A 75 5.887 -2.723 5.141 1.00 0.00 S ATOM 1246 CE MET A 75 7.376 -2.509 6.101 1.00 0.00 C ATOM 0 H MET A 75 5.783 0.076 7.445 1.00 0.00 H new ATOM 0 HA MET A 75 6.297 -0.130 4.723 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.617 -0.014 6.191 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.867 -0.688 4.593 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.150 -1.711 7.174 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.825 -2.477 6.320 1.00 0.00 H new ATOM 0 HE1 MET A 75 8.125 -3.232 5.778 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.760 -1.499 5.956 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.154 -2.664 7.157 1.00 0.00 H new ATOM 1256 N LEU A 76 4.935 2.675 5.589 1.00 0.00 N ATOM 1257 CA LEU A 76 4.536 3.991 5.120 1.00 0.00 C ATOM 1258 C LEU A 76 5.738 4.682 4.471 1.00 0.00 C ATOM 1259 O LEU A 76 5.584 5.413 3.494 1.00 0.00 O ATOM 1260 CB LEU A 76 3.904 4.796 6.257 1.00 0.00 C ATOM 1261 CG LEU A 76 2.376 4.862 6.263 1.00 0.00 C ATOM 1262 CD1 LEU A 76 1.872 5.807 7.356 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.837 5.243 4.883 1.00 0.00 C ATOM 0 H LEU A 76 5.015 2.590 6.602 1.00 0.00 H new ATOM 0 HA LEU A 76 3.765 3.905 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.233 4.369 7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.292 5.814 6.214 1.00 0.00 H new ATOM 0 HG LEU A 76 1.993 3.868 6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.783 5.836 7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.210 5.451 8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.264 6.809 7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.748 5.283 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.227 6.220 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.151 4.498 4.151 1.00 0.00 H new ATOM 1275 N GLU A 77 6.906 4.424 5.040 1.00 0.00 N ATOM 1276 CA GLU A 77 8.133 5.012 4.529 1.00 0.00 C ATOM 1277 C GLU A 77 8.399 4.529 3.102 1.00 0.00 C ATOM 1278 O GLU A 77 8.545 5.337 2.186 1.00 0.00 O ATOM 1279 CB GLU A 77 9.316 4.694 5.445 1.00 0.00 C ATOM 1280 CG GLU A 77 9.624 5.871 6.373 1.00 0.00 C ATOM 1281 CD GLU A 77 10.514 6.902 5.675 1.00 0.00 C ATOM 1282 OE1 GLU A 77 11.431 6.525 4.930 1.00 0.00 O ATOM 1283 OE2 GLU A 77 10.224 8.133 5.928 1.00 0.00 O ATOM 0 H GLU A 77 7.029 3.816 5.850 1.00 0.00 H new ATOM 0 HA GLU A 77 8.013 6.095 4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.093 3.807 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.194 4.462 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.694 6.343 6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.119 5.508 7.274 1.00 0.00 H new ATOM 1291 N LYS A 78 8.453 3.213 2.957 1.00 0.00 N ATOM 1292 CA LYS A 78 8.698 2.612 1.657 1.00 0.00 C ATOM 1293 C LYS A 78 7.632 3.091 0.670 1.00 0.00 C ATOM 1294 O LYS A 78 7.952 3.722 -0.337 1.00 0.00 O ATOM 1295 CB LYS A 78 8.785 1.089 1.778 1.00 0.00 C ATOM 1296 CG LYS A 78 7.807 0.407 0.820 1.00 0.00 C ATOM 1297 CD LYS A 78 8.125 -1.084 0.682 1.00 0.00 C ATOM 1298 CE LYS A 78 8.972 -1.351 -0.564 1.00 0.00 C ATOM 1299 NZ LYS A 78 9.925 -2.456 -0.315 1.00 0.00 N ATOM 0 H LYS A 78 8.331 2.546 3.719 1.00 0.00 H new ATOM 0 HA LYS A 78 9.663 2.932 1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.801 0.761 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.565 0.789 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.788 0.533 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.857 0.885 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.657 -1.430 1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.197 -1.654 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.325 -1.603 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.517 -0.448 -0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.492 -2.625 -1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.554 -2.201 0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.399 -3.320 -0.072 1.00 0.00 H new ATOM 1312 N ILE A 79 6.387 2.772 0.992 1.00 0.00 N ATOM 1313 CA ILE A 79 5.272 3.162 0.146 1.00 0.00 C ATOM 1314 C ILE A 79 5.371 4.657 -0.164 1.00 0.00 C ATOM 1315 O ILE A 79 5.330 5.058 -1.326 1.00 0.00 O ATOM 1316 CB ILE A 79 3.945 2.753 0.786 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.848 1.232 0.923 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.760 3.336 0.013 1.00 0.00 C ATOM 1319 CD1 ILE A 79 3.061 0.843 2.176 1.00 0.00 C ATOM 0 H ILE A 79 6.126 2.248 1.827 1.00 0.00 H new ATOM 0 HA ILE A 79 5.315 2.635 -0.807 1.00 0.00 H new ATOM 0 HB ILE A 79 3.909 3.170 1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.363 0.814 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.849 0.803 0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.829 3.030 0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.826 4.424 0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.780 2.970 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.007 -0.243 2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.561 1.242 3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.053 1.253 2.114 1.00 0.00 H new ATOM 1331 N ARG A 80 5.497 5.441 0.897 1.00 0.00 N ATOM 1332 CA ARG A 80 5.602 6.884 0.753 1.00 0.00 C ATOM 1333 C ARG A 80 6.615 7.236 -0.338 1.00 0.00 C ATOM 1334 O ARG A 80 6.358 8.103 -1.172 1.00 0.00 O ATOM 1335 CB ARG A 80 6.029 7.539 2.068 1.00 0.00 C ATOM 1336 CG ARG A 80 6.400 9.007 1.853 1.00 0.00 C ATOM 1337 CD ARG A 80 6.742 9.686 3.181 1.00 0.00 C ATOM 1338 NE ARG A 80 7.920 10.565 3.012 1.00 0.00 N ATOM 1339 CZ ARG A 80 7.901 11.737 2.343 1.00 0.00 C ATOM 1340 NH1 ARG A 80 6.760 12.182 1.774 1.00 0.00 N ATOM 1341 NH2 ARG A 80 9.013 12.442 2.254 1.00 0.00 N ATOM 0 H ARG A 80 5.529 5.105 1.859 1.00 0.00 H new ATOM 0 HA ARG A 80 4.618 7.262 0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.219 7.467 2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.881 7.002 2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.251 9.075 1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.571 9.529 1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.890 10.269 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.946 8.933 3.942 1.00 0.00 H new ATOM 0 HE ARG A 80 8.802 10.266 3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.905 11.631 1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.754 13.069 1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.870 12.099 2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.015 13.330 1.752 1.00 0.00 H new ATOM 1354 N ARG A 81 7.745 6.546 -0.297 1.00 0.00 N ATOM 1355 CA ARG A 81 8.798 6.775 -1.271 1.00 0.00 C ATOM 1356 C ARG A 81 8.229 6.724 -2.690 1.00 0.00 C ATOM 1357 O ARG A 81 8.270 7.717 -3.416 1.00 0.00 O ATOM 1358 CB ARG A 81 9.909 5.732 -1.137 1.00 0.00 C ATOM 1359 CG ARG A 81 11.284 6.362 -1.374 1.00 0.00 C ATOM 1360 CD ARG A 81 12.093 5.548 -2.386 1.00 0.00 C ATOM 1361 NE ARG A 81 13.507 5.467 -1.956 1.00 0.00 N ATOM 1362 CZ ARG A 81 14.451 6.375 -2.284 1.00 0.00 C ATOM 1363 NH1 ARG A 81 14.138 7.442 -3.050 1.00 0.00 N ATOM 1364 NH2 ARG A 81 15.683 6.204 -1.845 1.00 0.00 N ATOM 0 H ARG A 81 7.954 5.828 0.396 1.00 0.00 H new ATOM 0 HA ARG A 81 9.217 7.763 -1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.876 5.286 -0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.745 4.927 -1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.163 7.383 -1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.828 6.421 -0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.674 4.546 -2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.030 6.011 -3.371 1.00 0.00 H new ATOM 0 HE ARG A 81 13.786 4.676 -1.376 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.183 7.567 -3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.857 8.124 -3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.911 5.395 -1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.408 6.881 -2.084 1.00 0.00 H new ATOM 1377 N ALA A 82 7.710 5.557 -3.044 1.00 0.00 N ATOM 1378 CA ALA A 82 7.133 5.364 -4.363 1.00 0.00 C ATOM 1379 C ALA A 82 6.037 6.407 -4.594 1.00 0.00 C ATOM 1380 O ALA A 82 5.880 6.912 -5.704 1.00 0.00 O ATOM 1381 CB ALA A 82 6.610 3.931 -4.487 1.00 0.00 C ATOM 0 H ALA A 82 7.677 4.736 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 82 7.888 5.503 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.177 3.786 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.432 3.230 -4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.848 3.755 -3.728 1.00 0.00 H new