USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=11 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 Set 1.1: A 15 GLN : amide:sc= -3.8 K(o=-3.8,f=-9.7!) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -152:sc= 0.428 (180deg=-0.776!) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.185 (180deg=-0.764) USER MOD Single : A 16 THR OG1 : rot -26:sc= 0.876 USER MOD Single : A 31 MET CE :methyl -170:sc= -4.62 (180deg=-5.34) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.495 X(o=-0.49,f=-0.31) USER MOD Single : A 39 SER OG : rot 80:sc= -1.14 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 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc=-0.00751 X(o=-0.0075,f=-0.022) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -90:sc= -2.81! USER MOD Single : A 69 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.666) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl -136:sc= -8.25! (180deg=-16.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 -3.529 -15.370 -4.198 1.00 0.00 N ATOM 72 CA ASP A 5 -4.384 -15.868 -5.262 1.00 0.00 C ATOM 73 C ASP A 5 -5.188 -14.706 -5.850 1.00 0.00 C ATOM 74 O ASP A 5 -5.084 -13.574 -5.380 1.00 0.00 O ATOM 75 CB ASP A 5 -5.374 -16.907 -4.732 1.00 0.00 C ATOM 76 CG ASP A 5 -4.740 -18.081 -3.984 1.00 0.00 C ATOM 77 OD1 ASP A 5 -4.111 -18.961 -4.591 1.00 0.00 O ATOM 78 OD2 ASP A 5 -4.914 -18.071 -2.706 1.00 0.00 O ATOM 0 HA ASP A 5 -3.748 -16.328 -6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.078 -16.409 -4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.950 -17.298 -5.570 1.00 0.00 H new ATOM 84 N ASP A 6 -5.971 -15.027 -6.870 1.00 0.00 N ATOM 85 CA ASP A 6 -6.792 -14.024 -7.527 1.00 0.00 C ATOM 86 C ASP A 6 -7.379 -13.082 -6.474 1.00 0.00 C ATOM 87 O ASP A 6 -7.323 -11.863 -6.627 1.00 0.00 O ATOM 88 CB ASP A 6 -7.954 -14.672 -8.282 1.00 0.00 C ATOM 89 CG ASP A 6 -7.550 -15.500 -9.504 1.00 0.00 C ATOM 90 OD1 ASP A 6 -7.000 -14.969 -10.481 1.00 0.00 O ATOM 91 OD2 ASP A 6 -7.825 -16.757 -9.426 1.00 0.00 O ATOM 0 H ASP A 6 -6.054 -15.967 -7.257 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.162 -13.481 -8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.503 -15.314 -7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.640 -13.889 -8.603 1.00 0.00 H new ATOM 97 N ILE A 7 -7.929 -13.683 -5.429 1.00 0.00 N ATOM 98 CA ILE A 7 -8.525 -12.913 -4.351 1.00 0.00 C ATOM 99 C ILE A 7 -7.493 -11.926 -3.803 1.00 0.00 C ATOM 100 O ILE A 7 -7.725 -10.718 -3.797 1.00 0.00 O ATOM 101 CB ILE A 7 -9.111 -13.844 -3.288 1.00 0.00 C ATOM 102 CG1 ILE A 7 -9.962 -14.942 -3.929 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.894 -13.053 -2.237 1.00 0.00 C ATOM 104 CD1 ILE A 7 -9.212 -16.275 -3.949 1.00 0.00 C ATOM 0 H ILE A 7 -7.974 -14.695 -5.306 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.363 -12.324 -4.723 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.286 -14.335 -2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.895 -15.054 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.227 -14.654 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.300 -13.739 -1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.230 -12.340 -1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.711 -12.516 -2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.839 -17.038 -4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.292 -16.166 -4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.970 -16.572 -2.928 1.00 0.00 H new ATOM 116 N ALA A 8 -6.374 -12.477 -3.355 1.00 0.00 N ATOM 117 CA ALA A 8 -5.305 -11.660 -2.806 1.00 0.00 C ATOM 118 C ALA A 8 -5.052 -10.469 -3.732 1.00 0.00 C ATOM 119 O ALA A 8 -5.031 -9.324 -3.285 1.00 0.00 O ATOM 120 CB ALA A 8 -4.056 -12.521 -2.607 1.00 0.00 C ATOM 0 H ALA A 8 -6.185 -13.479 -3.361 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.586 -11.264 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.254 -11.909 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.281 -13.335 -1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.742 -12.934 -3.566 1.00 0.00 H new ATOM 126 N LYS A 9 -4.866 -10.781 -5.007 1.00 0.00 N ATOM 127 CA LYS A 9 -4.614 -9.750 -6.000 1.00 0.00 C ATOM 128 C LYS A 9 -5.812 -8.800 -6.056 1.00 0.00 C ATOM 129 O LYS A 9 -5.675 -7.607 -5.791 1.00 0.00 O ATOM 130 CB LYS A 9 -4.266 -10.381 -7.350 1.00 0.00 C ATOM 131 CG LYS A 9 -3.230 -9.539 -8.097 1.00 0.00 C ATOM 132 CD LYS A 9 -2.338 -10.419 -8.976 1.00 0.00 C ATOM 133 CE LYS A 9 -1.053 -10.803 -8.241 1.00 0.00 C ATOM 134 NZ LYS A 9 0.116 -10.679 -9.141 1.00 0.00 N ATOM 0 H LYS A 9 -4.885 -11.732 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.746 -9.154 -5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.879 -11.388 -7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.168 -10.475 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.736 -8.797 -8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.616 -8.993 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.880 -11.320 -9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.091 -9.889 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.919 -10.161 -7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.129 -11.826 -7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.856 -11.347 -8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.173 -10.895 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.487 -9.709 -9.096 1.00 0.00 H new ATOM 147 N ARG A 10 -6.959 -9.364 -6.404 1.00 0.00 N ATOM 148 CA ARG A 10 -8.180 -8.582 -6.499 1.00 0.00 C ATOM 149 C ARG A 10 -8.357 -7.722 -5.246 1.00 0.00 C ATOM 150 O ARG A 10 -8.954 -6.648 -5.305 1.00 0.00 O ATOM 151 CB ARG A 10 -9.402 -9.486 -6.666 1.00 0.00 C ATOM 152 CG ARG A 10 -10.136 -9.181 -7.973 1.00 0.00 C ATOM 153 CD ARG A 10 -9.798 -10.217 -9.047 1.00 0.00 C ATOM 154 NE ARG A 10 -11.008 -10.544 -9.834 1.00 0.00 N ATOM 155 CZ ARG A 10 -11.461 -9.803 -10.868 1.00 0.00 C ATOM 156 NH1 ARG A 10 -10.806 -8.686 -11.250 1.00 0.00 N ATOM 157 NH2 ARG A 10 -12.553 -10.188 -11.501 1.00 0.00 N ATOM 0 H ARG A 10 -7.069 -10.354 -6.624 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.096 -7.940 -7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.090 -10.530 -6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.079 -9.347 -5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.212 -9.173 -7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.863 -8.186 -8.324 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.020 -9.830 -9.705 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.402 -11.120 -8.581 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.532 -11.381 -9.580 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.962 -8.396 -10.756 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.155 -8.132 -12.032 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.041 -11.034 -11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.909 -9.640 -12.284 1.00 0.00 H new ATOM 170 N LYS A 11 -7.829 -8.227 -4.141 1.00 0.00 N ATOM 171 CA LYS A 11 -7.922 -7.518 -2.875 1.00 0.00 C ATOM 172 C LYS A 11 -7.257 -6.147 -3.014 1.00 0.00 C ATOM 173 O LYS A 11 -7.864 -5.125 -2.698 1.00 0.00 O ATOM 174 CB LYS A 11 -7.347 -8.369 -1.741 1.00 0.00 C ATOM 175 CG LYS A 11 -8.400 -8.629 -0.662 1.00 0.00 C ATOM 176 CD LYS A 11 -9.041 -10.007 -0.842 1.00 0.00 C ATOM 177 CE LYS A 11 -9.682 -10.488 0.461 1.00 0.00 C ATOM 178 NZ LYS A 11 -8.651 -10.677 1.507 1.00 0.00 N ATOM 0 H LYS A 11 -7.335 -9.118 -4.095 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.965 -7.342 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.988 -9.318 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.488 -7.862 -1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.939 -8.564 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.169 -7.858 -0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.795 -9.961 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.286 -10.724 -1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.422 -9.763 0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.210 -11.426 0.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.995 -11.358 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.778 -11.040 1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.455 -9.766 1.970 1.00 0.00 H new ATOM 191 N ILE A 12 -6.020 -6.170 -3.486 1.00 0.00 N ATOM 192 CA ILE A 12 -5.266 -4.942 -3.669 1.00 0.00 C ATOM 193 C ILE A 12 -6.165 -3.889 -4.322 1.00 0.00 C ATOM 194 O ILE A 12 -6.285 -2.773 -3.819 1.00 0.00 O ATOM 195 CB ILE A 12 -3.976 -5.215 -4.446 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.796 -4.458 -3.834 1.00 0.00 C ATOM 197 CG2 ILE A 12 -4.153 -4.896 -5.932 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.727 -3.026 -4.369 1.00 0.00 C ATOM 0 H ILE A 12 -5.521 -7.020 -3.747 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.952 -4.541 -2.705 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.750 -6.279 -4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.894 -4.440 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.867 -4.980 -4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.222 -5.099 -6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.948 -5.517 -6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.416 -3.845 -6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.880 -2.510 -3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.605 -3.048 -5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.648 -2.499 -4.119 1.00 0.00 H new ATOM 210 N ARG A 13 -6.774 -4.283 -5.430 1.00 0.00 N ATOM 211 CA ARG A 13 -7.659 -3.388 -6.156 1.00 0.00 C ATOM 212 C ARG A 13 -8.949 -3.160 -5.366 1.00 0.00 C ATOM 213 O ARG A 13 -9.310 -2.021 -5.074 1.00 0.00 O ATOM 214 CB ARG A 13 -8.007 -3.955 -7.534 1.00 0.00 C ATOM 215 CG ARG A 13 -7.646 -2.963 -8.642 1.00 0.00 C ATOM 216 CD ARG A 13 -7.972 -3.539 -10.021 1.00 0.00 C ATOM 217 NE ARG A 13 -6.723 -3.906 -10.725 1.00 0.00 N ATOM 218 CZ ARG A 13 -6.676 -4.682 -11.829 1.00 0.00 C ATOM 219 NH1 ARG A 13 -7.810 -5.179 -12.366 1.00 0.00 N ATOM 220 NH2 ARG A 13 -5.504 -4.946 -12.376 1.00 0.00 N ATOM 0 H ARG A 13 -6.672 -5.210 -5.843 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.137 -2.440 -6.287 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.472 -4.892 -7.691 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.072 -4.184 -7.579 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.193 -2.032 -8.494 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.585 -2.721 -8.587 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.611 -4.416 -9.916 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.528 -2.808 -10.607 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.842 -3.550 -10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.712 -4.969 -11.938 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.765 -5.764 -13.200 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.652 -4.566 -11.964 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.451 -5.531 -13.210 1.00 0.00 H new ATOM 233 N PHE A 14 -9.609 -4.262 -5.041 1.00 0.00 N ATOM 234 CA PHE A 14 -10.851 -4.197 -4.290 1.00 0.00 C ATOM 235 C PHE A 14 -10.714 -3.265 -3.085 1.00 0.00 C ATOM 236 O PHE A 14 -11.636 -2.514 -2.769 1.00 0.00 O ATOM 237 CB PHE A 14 -11.148 -5.614 -3.794 1.00 0.00 C ATOM 238 CG PHE A 14 -12.534 -5.775 -3.166 1.00 0.00 C ATOM 239 CD1 PHE A 14 -13.605 -6.071 -3.949 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.694 -5.621 -1.824 1.00 0.00 C ATOM 241 CE1 PHE A 14 -14.892 -6.221 -3.366 1.00 0.00 C ATOM 242 CE2 PHE A 14 -13.980 -5.771 -1.241 1.00 0.00 C ATOM 243 CZ PHE A 14 -15.052 -6.068 -2.024 1.00 0.00 C ATOM 0 H PHE A 14 -9.307 -5.205 -5.284 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.650 -3.812 -4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.056 -6.307 -4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.393 -5.897 -3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -13.478 -6.192 -5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.843 -5.385 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.743 -6.456 -3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.107 -5.649 -0.175 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.030 -6.182 -1.580 1.00 0.00 H new ATOM 253 N GLN A 15 -9.557 -3.345 -2.444 1.00 0.00 N ATOM 254 CA GLN A 15 -9.288 -2.518 -1.280 1.00 0.00 C ATOM 255 C GLN A 15 -9.402 -1.036 -1.643 1.00 0.00 C ATOM 256 O GLN A 15 -10.077 -0.274 -0.953 1.00 0.00 O ATOM 257 CB GLN A 15 -7.913 -2.833 -0.689 1.00 0.00 C ATOM 258 CG GLN A 15 -7.984 -4.037 0.253 1.00 0.00 C ATOM 259 CD GLN A 15 -6.814 -4.992 0.011 1.00 0.00 C ATOM 260 OE1 GLN A 15 -5.807 -4.644 -0.585 1.00 0.00 O ATOM 261 NE2 GLN A 15 -7.002 -6.213 0.504 1.00 0.00 N ATOM 0 H GLN A 15 -8.795 -3.970 -2.709 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.035 -2.744 -0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.206 -3.037 -1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.538 -1.964 -0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.971 -3.695 1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.926 -4.565 0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.869 -6.438 0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.279 -6.924 0.394 1.00 0.00 H new ATOM 270 N THR A 16 -8.732 -0.672 -2.727 1.00 0.00 N ATOM 271 CA THR A 16 -8.750 0.704 -3.191 1.00 0.00 C ATOM 272 C THR A 16 -10.155 1.093 -3.654 1.00 0.00 C ATOM 273 O THR A 16 -11.026 0.236 -3.793 1.00 0.00 O ATOM 274 CB THR A 16 -7.688 0.849 -4.283 1.00 0.00 C ATOM 275 OG1 THR A 16 -8.211 0.100 -5.377 1.00 0.00 O ATOM 276 CG2 THR A 16 -6.384 0.132 -3.931 1.00 0.00 C ATOM 0 H THR A 16 -8.173 -1.307 -3.297 1.00 0.00 H new ATOM 0 HA THR A 16 -8.505 1.396 -2.385 1.00 0.00 H new ATOM 0 HB THR A 16 -7.486 1.906 -4.454 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.815 -0.594 -5.039 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.665 0.267 -4.739 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.977 0.549 -3.010 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.579 -0.931 -3.793 1.00 0.00 H new ATOM 284 N ARG A 17 -10.332 2.387 -3.880 1.00 0.00 N ATOM 285 CA ARG A 17 -11.617 2.900 -4.325 1.00 0.00 C ATOM 286 C ARG A 17 -11.456 4.310 -4.896 1.00 0.00 C ATOM 287 O ARG A 17 -12.401 5.097 -4.890 1.00 0.00 O ATOM 288 CB ARG A 17 -12.624 2.935 -3.174 1.00 0.00 C ATOM 289 CG ARG A 17 -13.684 1.844 -3.340 1.00 0.00 C ATOM 290 CD ARG A 17 -15.078 2.454 -3.503 1.00 0.00 C ATOM 291 NE ARG A 17 -16.063 1.685 -2.710 1.00 0.00 N ATOM 292 CZ ARG A 17 -17.394 1.910 -2.733 1.00 0.00 C ATOM 293 NH1 ARG A 17 -17.911 2.886 -3.510 1.00 0.00 N ATOM 294 NH2 ARG A 17 -18.182 1.162 -1.984 1.00 0.00 N ATOM 0 H ARG A 17 -9.607 3.095 -3.763 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.991 2.231 -5.100 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.103 2.800 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.105 3.912 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.447 1.231 -4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.671 1.184 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.069 3.494 -3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.364 2.452 -4.555 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.715 0.938 -2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.295 3.460 -4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.918 3.049 -3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.783 0.427 -1.400 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.190 1.319 -1.989 1.00 0.00 H new ATOM 307 N ARG A 18 -10.252 4.587 -5.375 1.00 0.00 N ATOM 308 CA ARG A 18 -9.956 5.888 -5.949 1.00 0.00 C ATOM 309 C ARG A 18 -10.664 6.990 -5.158 1.00 0.00 C ATOM 310 O ARG A 18 -11.024 8.026 -5.716 1.00 0.00 O ATOM 311 CB ARG A 18 -10.395 5.958 -7.413 1.00 0.00 C ATOM 312 CG ARG A 18 -11.878 5.611 -7.558 1.00 0.00 C ATOM 313 CD ARG A 18 -12.386 5.950 -8.960 1.00 0.00 C ATOM 314 NE ARG A 18 -13.109 7.241 -8.939 1.00 0.00 N ATOM 315 CZ ARG A 18 -14.326 7.417 -8.383 1.00 0.00 C ATOM 316 NH1 ARG A 18 -14.968 6.384 -7.797 1.00 0.00 N ATOM 317 NH2 ARG A 18 -14.880 8.615 -8.421 1.00 0.00 N ATOM 0 H ARG A 18 -9.470 3.932 -5.377 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.877 6.035 -5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.212 6.959 -7.804 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.797 5.269 -8.009 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.028 4.550 -7.360 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.458 6.159 -6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.549 6.004 -9.656 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.046 5.160 -9.317 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.660 8.048 -9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.533 5.462 -7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.888 6.526 -7.379 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.389 9.390 -8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.799 8.765 -8.005 1.00 0.00 H new ATOM 330 N GLY A 19 -10.843 6.730 -3.871 1.00 0.00 N ATOM 331 CA GLY A 19 -11.502 7.687 -2.999 1.00 0.00 C ATOM 332 C GLY A 19 -11.117 9.121 -3.367 1.00 0.00 C ATOM 333 O GLY A 19 -11.967 10.010 -3.388 1.00 0.00 O ATOM 0 H GLY A 19 -10.543 5.870 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.583 7.567 -3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.229 7.488 -1.963 1.00 0.00 H new ATOM 337 N LEU A 20 -9.835 9.301 -3.649 1.00 0.00 N ATOM 338 CA LEU A 20 -9.327 10.612 -4.016 1.00 0.00 C ATOM 339 C LEU A 20 -8.633 10.523 -5.377 1.00 0.00 C ATOM 340 O LEU A 20 -8.097 9.476 -5.737 1.00 0.00 O ATOM 341 CB LEU A 20 -8.434 11.171 -2.906 1.00 0.00 C ATOM 342 CG LEU A 20 -9.112 12.113 -1.910 1.00 0.00 C ATOM 343 CD1 LEU A 20 -9.973 11.332 -0.915 1.00 0.00 C ATOM 344 CD2 LEU A 20 -8.083 12.999 -1.205 1.00 0.00 C ATOM 0 H LEU A 20 -9.133 8.561 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.147 11.322 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.009 10.334 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.602 11.702 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.779 12.773 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.444 12.026 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.743 10.781 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.346 10.632 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.592 13.659 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.373 12.373 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.551 13.597 -1.944 1.00 0.00 H new ATOM 356 N LEU A 21 -8.666 11.635 -6.096 1.00 0.00 N ATOM 357 CA LEU A 21 -8.047 11.696 -7.409 1.00 0.00 C ATOM 358 C LEU A 21 -6.572 11.307 -7.291 1.00 0.00 C ATOM 359 O LEU A 21 -6.157 10.270 -7.806 1.00 0.00 O ATOM 360 CB LEU A 21 -8.272 13.069 -8.045 1.00 0.00 C ATOM 361 CG LEU A 21 -7.561 13.317 -9.376 1.00 0.00 C ATOM 362 CD1 LEU A 21 -8.082 12.371 -10.460 1.00 0.00 C ATOM 363 CD2 LEU A 21 -7.674 14.785 -9.794 1.00 0.00 C ATOM 0 H LEU A 21 -9.112 12.501 -5.794 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.514 10.978 -8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.343 13.206 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.951 13.832 -7.337 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.501 13.102 -9.242 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.560 12.568 -11.396 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.907 11.339 -10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.151 12.531 -10.600 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.160 14.934 -10.744 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.725 15.052 -9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.218 15.417 -9.032 1.00 0.00 H new ATOM 375 N GLU A 22 -5.821 12.161 -6.611 1.00 0.00 N ATOM 376 CA GLU A 22 -4.401 11.920 -6.420 1.00 0.00 C ATOM 377 C GLU A 22 -4.162 10.474 -5.978 1.00 0.00 C ATOM 378 O GLU A 22 -3.211 9.834 -6.422 1.00 0.00 O ATOM 379 CB GLU A 22 -3.808 12.906 -5.411 1.00 0.00 C ATOM 380 CG GLU A 22 -2.384 13.302 -5.804 1.00 0.00 C ATOM 381 CD GLU A 22 -2.393 14.436 -6.831 1.00 0.00 C ATOM 382 OE1 GLU A 22 -3.385 14.608 -7.555 1.00 0.00 O ATOM 383 OE2 GLU A 22 -1.322 15.154 -6.861 1.00 0.00 O ATOM 0 H GLU A 22 -6.169 13.020 -6.186 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.895 12.077 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.435 13.796 -5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.803 12.457 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.832 13.614 -4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.863 12.438 -6.216 1.00 0.00 H new ATOM 391 N LEU A 23 -5.043 10.002 -5.108 1.00 0.00 N ATOM 392 CA LEU A 23 -4.941 8.645 -4.601 1.00 0.00 C ATOM 393 C LEU A 23 -4.999 7.662 -5.772 1.00 0.00 C ATOM 394 O LEU A 23 -4.121 6.812 -5.918 1.00 0.00 O ATOM 395 CB LEU A 23 -6.006 8.390 -3.532 1.00 0.00 C ATOM 396 CG LEU A 23 -5.554 7.579 -2.316 1.00 0.00 C ATOM 397 CD1 LEU A 23 -4.396 6.647 -2.678 1.00 0.00 C ATOM 398 CD2 LEU A 23 -5.206 8.497 -1.143 1.00 0.00 C ATOM 0 H LEU A 23 -5.831 10.536 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.982 8.496 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.380 9.352 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.844 7.872 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.385 6.950 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.094 6.082 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.715 5.957 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.553 7.237 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.888 7.895 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.399 9.169 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.083 9.082 -0.866 1.00 0.00 H new ATOM 410 N ASP A 24 -6.041 7.811 -6.577 1.00 0.00 N ATOM 411 CA ASP A 24 -6.224 6.947 -7.731 1.00 0.00 C ATOM 412 C ASP A 24 -4.918 6.879 -8.525 1.00 0.00 C ATOM 413 O ASP A 24 -4.569 5.830 -9.064 1.00 0.00 O ATOM 414 CB ASP A 24 -7.313 7.490 -8.658 1.00 0.00 C ATOM 415 CG ASP A 24 -7.349 6.860 -10.052 1.00 0.00 C ATOM 416 OD1 ASP A 24 -6.407 7.010 -10.845 1.00 0.00 O ATOM 417 OD2 ASP A 24 -8.414 6.183 -10.317 1.00 0.00 O ATOM 0 H ASP A 24 -6.767 8.517 -6.453 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.516 5.961 -7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.282 7.339 -8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.174 8.566 -8.765 1.00 0.00 H new ATOM 423 N LEU A 25 -4.232 8.012 -8.572 1.00 0.00 N ATOM 424 CA LEU A 25 -2.972 8.094 -9.291 1.00 0.00 C ATOM 425 C LEU A 25 -1.951 7.167 -8.629 1.00 0.00 C ATOM 426 O LEU A 25 -1.350 6.323 -9.294 1.00 0.00 O ATOM 427 CB LEU A 25 -2.507 9.548 -9.392 1.00 0.00 C ATOM 428 CG LEU A 25 -3.600 10.585 -9.661 1.00 0.00 C ATOM 429 CD1 LEU A 25 -2.995 11.966 -9.916 1.00 0.00 C ATOM 430 CD2 LEU A 25 -4.510 10.137 -10.807 1.00 0.00 C ATOM 0 H LEU A 25 -4.525 8.880 -8.124 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.096 7.751 -10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.003 9.813 -8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.765 9.617 -10.187 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.221 10.666 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.793 12.684 -10.104 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.423 12.280 -9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.336 11.920 -10.783 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.278 10.891 -10.978 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.918 10.010 -11.713 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.983 9.190 -10.547 1.00 0.00 H new ATOM 442 N ILE A 26 -1.784 7.354 -7.328 1.00 0.00 N ATOM 443 CA ILE A 26 -0.846 6.544 -6.570 1.00 0.00 C ATOM 444 C ILE A 26 -1.102 5.065 -6.863 1.00 0.00 C ATOM 445 O ILE A 26 -0.233 4.373 -7.391 1.00 0.00 O ATOM 446 CB ILE A 26 -0.914 6.897 -5.083 1.00 0.00 C ATOM 447 CG1 ILE A 26 -0.622 8.382 -4.857 1.00 0.00 C ATOM 448 CG2 ILE A 26 0.015 5.999 -4.263 1.00 0.00 C ATOM 449 CD1 ILE A 26 -1.622 8.995 -3.875 1.00 0.00 C ATOM 0 H ILE A 26 -2.283 8.055 -6.780 1.00 0.00 H new ATOM 0 HA ILE A 26 0.177 6.757 -6.879 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.930 6.713 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.391 8.503 -4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.668 8.914 -5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.053 6.271 -3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.281 4.958 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.042 6.128 -4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.391 10.051 -3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.632 8.895 -4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.557 8.477 -2.918 1.00 0.00 H new ATOM 461 N PHE A 27 -2.300 4.623 -6.507 1.00 0.00 N ATOM 462 CA PHE A 27 -2.681 3.238 -6.726 1.00 0.00 C ATOM 463 C PHE A 27 -2.354 2.797 -8.154 1.00 0.00 C ATOM 464 O PHE A 27 -2.227 1.605 -8.426 1.00 0.00 O ATOM 465 CB PHE A 27 -4.194 3.151 -6.512 1.00 0.00 C ATOM 466 CG PHE A 27 -4.625 3.289 -5.051 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.897 2.692 -4.068 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.735 4.007 -4.734 1.00 0.00 C ATOM 469 CE1 PHE A 27 -4.297 2.820 -2.712 1.00 0.00 C ATOM 470 CE2 PHE A 27 -6.135 4.135 -3.377 1.00 0.00 C ATOM 471 CZ PHE A 27 -5.407 3.538 -2.395 1.00 0.00 C ATOM 0 H PHE A 27 -3.019 5.199 -6.069 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.135 2.590 -6.041 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.679 3.931 -7.098 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.551 2.195 -6.897 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.015 2.121 -4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.313 4.480 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.719 2.347 -1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.016 4.706 -3.125 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.711 3.634 -1.363 1.00 0.00 H new ATOM 481 N GLY A 28 -2.227 3.784 -9.029 1.00 0.00 N ATOM 482 CA GLY A 28 -1.917 3.514 -10.422 1.00 0.00 C ATOM 483 C GLY A 28 -0.406 3.394 -10.635 1.00 0.00 C ATOM 484 O GLY A 28 0.069 2.411 -11.200 1.00 0.00 O ATOM 0 H GLY A 28 -2.333 4.772 -8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.406 2.592 -10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.314 4.313 -11.048 1.00 0.00 H new ATOM 488 N ARG A 29 0.307 4.410 -10.170 1.00 0.00 N ATOM 489 CA ARG A 29 1.753 4.431 -10.303 1.00 0.00 C ATOM 490 C ARG A 29 2.404 3.689 -9.134 1.00 0.00 C ATOM 491 O ARG A 29 2.959 2.606 -9.314 1.00 0.00 O ATOM 492 CB ARG A 29 2.282 5.867 -10.343 1.00 0.00 C ATOM 493 CG ARG A 29 2.456 6.346 -11.786 1.00 0.00 C ATOM 494 CD ARG A 29 3.861 6.030 -12.303 1.00 0.00 C ATOM 495 NE ARG A 29 4.366 7.157 -13.117 1.00 0.00 N ATOM 496 CZ ARG A 29 3.851 7.519 -14.312 1.00 0.00 C ATOM 497 NH1 ARG A 29 2.810 6.843 -14.842 1.00 0.00 N ATOM 498 NH2 ARG A 29 4.382 8.543 -14.954 1.00 0.00 N ATOM 0 H ARG A 29 -0.090 5.224 -9.701 1.00 0.00 H new ATOM 0 HA ARG A 29 2.007 3.935 -11.240 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.592 6.527 -9.817 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.237 5.922 -9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.714 5.867 -12.424 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.278 7.420 -11.840 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.533 5.846 -11.465 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.841 5.119 -12.901 1.00 0.00 H new ATOM 0 HE ARG A 29 5.153 7.695 -12.753 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.406 6.052 -14.340 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.427 7.123 -15.745 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.169 9.048 -14.547 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.005 8.829 -15.857 1.00 0.00 H new ATOM 511 N PHE A 30 2.314 4.301 -7.962 1.00 0.00 N ATOM 512 CA PHE A 30 2.887 3.711 -6.764 1.00 0.00 C ATOM 513 C PHE A 30 2.735 2.189 -6.775 1.00 0.00 C ATOM 514 O PHE A 30 3.681 1.464 -6.469 1.00 0.00 O ATOM 515 CB PHE A 30 2.115 4.280 -5.572 1.00 0.00 C ATOM 516 CG PHE A 30 1.573 3.215 -4.616 1.00 0.00 C ATOM 517 CD1 PHE A 30 0.384 2.609 -4.877 1.00 0.00 C ATOM 518 CD2 PHE A 30 2.281 2.875 -3.505 1.00 0.00 C ATOM 519 CE1 PHE A 30 -0.119 1.621 -3.990 1.00 0.00 C ATOM 520 CE2 PHE A 30 1.778 1.887 -2.618 1.00 0.00 C ATOM 521 CZ PHE A 30 0.589 1.281 -2.879 1.00 0.00 C ATOM 0 H PHE A 30 1.853 5.199 -7.817 1.00 0.00 H new ATOM 0 HA PHE A 30 3.951 3.942 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.768 4.953 -5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.283 4.878 -5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.178 2.879 -5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.225 3.356 -3.298 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.063 1.140 -4.197 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.340 1.617 -1.736 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.207 0.530 -2.204 1.00 0.00 H new ATOM 531 N MET A 31 1.537 1.748 -7.132 1.00 0.00 N ATOM 532 CA MET A 31 1.249 0.325 -7.187 1.00 0.00 C ATOM 533 C MET A 31 2.093 -0.364 -8.261 1.00 0.00 C ATOM 534 O MET A 31 2.745 -1.372 -7.991 1.00 0.00 O ATOM 535 CB MET A 31 -0.236 0.117 -7.493 1.00 0.00 C ATOM 536 CG MET A 31 -0.688 -1.286 -7.083 1.00 0.00 C ATOM 537 SD MET A 31 -0.785 -2.340 -8.521 1.00 0.00 S ATOM 538 CE MET A 31 -1.794 -3.661 -7.869 1.00 0.00 C ATOM 0 H MET A 31 0.755 2.352 -7.386 1.00 0.00 H new ATOM 0 HA MET A 31 1.496 -0.115 -6.221 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.828 0.863 -6.963 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.416 0.264 -8.558 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.012 -1.706 -6.360 1.00 0.00 H new ATOM 0 HG3 MET A 31 -1.660 -1.235 -6.593 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.808 -4.491 -8.575 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.381 -4.000 -6.919 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.811 -3.300 -7.714 1.00 0.00 H new ATOM 548 N GLU A 32 2.054 0.207 -9.456 1.00 0.00 N ATOM 549 CA GLU A 32 2.807 -0.340 -10.571 1.00 0.00 C ATOM 550 C GLU A 32 4.277 -0.518 -10.183 1.00 0.00 C ATOM 551 O GLU A 32 4.958 -1.399 -10.705 1.00 0.00 O ATOM 552 CB GLU A 32 2.671 0.546 -11.812 1.00 0.00 C ATOM 553 CG GLU A 32 2.412 -0.297 -13.062 1.00 0.00 C ATOM 554 CD GLU A 32 3.546 -1.298 -13.293 1.00 0.00 C ATOM 555 OE1 GLU A 32 4.719 -0.901 -13.360 1.00 0.00 O ATOM 556 OE2 GLU A 32 3.173 -2.528 -13.404 1.00 0.00 O ATOM 0 H GLU A 32 1.513 1.043 -9.676 1.00 0.00 H new ATOM 0 HA GLU A 32 2.395 -1.319 -10.817 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.854 1.253 -11.670 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.580 1.132 -11.946 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.467 -0.830 -12.956 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.315 0.354 -13.931 1.00 0.00 H new ATOM 564 N LYS A 33 4.722 0.333 -9.271 1.00 0.00 N ATOM 565 CA LYS A 33 6.098 0.281 -8.807 1.00 0.00 C ATOM 566 C LYS A 33 6.164 -0.528 -7.509 1.00 0.00 C ATOM 567 O LYS A 33 7.190 -1.131 -7.201 1.00 0.00 O ATOM 568 CB LYS A 33 6.675 1.693 -8.681 1.00 0.00 C ATOM 569 CG LYS A 33 8.006 1.809 -9.426 1.00 0.00 C ATOM 570 CD LYS A 33 7.790 2.286 -10.864 1.00 0.00 C ATOM 571 CE LYS A 33 9.088 2.204 -11.669 1.00 0.00 C ATOM 572 NZ LYS A 33 10.031 3.262 -11.241 1.00 0.00 N ATOM 0 H LYS A 33 4.154 1.063 -8.841 1.00 0.00 H new ATOM 0 HA LYS A 33 6.726 -0.232 -9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.965 2.417 -9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.820 1.938 -7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.660 2.506 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.509 0.842 -9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.022 1.677 -11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.425 3.313 -10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.546 1.224 -11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.871 2.310 -12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.907 3.192 -11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.598 4.195 -11.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.252 3.143 -10.232 1.00 0.00 H new ATOM 585 N GLU A 34 5.055 -0.514 -6.784 1.00 0.00 N ATOM 586 CA GLU A 34 4.974 -1.239 -5.527 1.00 0.00 C ATOM 587 C GLU A 34 4.551 -2.688 -5.777 1.00 0.00 C ATOM 588 O GLU A 34 5.352 -3.608 -5.617 1.00 0.00 O ATOM 589 CB GLU A 34 4.015 -0.547 -4.556 1.00 0.00 C ATOM 590 CG GLU A 34 4.722 0.574 -3.793 1.00 0.00 C ATOM 591 CD GLU A 34 5.598 1.408 -4.729 1.00 0.00 C ATOM 592 OE1 GLU A 34 6.641 0.926 -5.196 1.00 0.00 O ATOM 593 OE2 GLU A 34 5.161 2.598 -4.970 1.00 0.00 O ATOM 0 H GLU A 34 4.205 -0.012 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 34 5.963 -1.244 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.167 -0.139 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.617 -1.277 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.982 1.215 -3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.335 0.148 -2.999 1.00 0.00 H new ATOM 601 N PHE A 35 3.294 -2.846 -6.164 1.00 0.00 N ATOM 602 CA PHE A 35 2.756 -4.167 -6.437 1.00 0.00 C ATOM 603 C PHE A 35 3.713 -4.980 -7.312 1.00 0.00 C ATOM 604 O PHE A 35 3.921 -6.168 -7.072 1.00 0.00 O ATOM 605 CB PHE A 35 1.440 -3.967 -7.192 1.00 0.00 C ATOM 606 CG PHE A 35 0.877 -5.248 -7.811 1.00 0.00 C ATOM 607 CD1 PHE A 35 0.499 -6.281 -7.011 1.00 0.00 C ATOM 608 CD2 PHE A 35 0.754 -5.353 -9.161 1.00 0.00 C ATOM 609 CE1 PHE A 35 -0.023 -7.470 -7.586 1.00 0.00 C ATOM 610 CE2 PHE A 35 0.231 -6.541 -9.736 1.00 0.00 C ATOM 611 CZ PHE A 35 -0.146 -7.575 -8.937 1.00 0.00 C ATOM 0 H PHE A 35 2.633 -2.081 -6.295 1.00 0.00 H new ATOM 0 HA PHE A 35 2.611 -4.709 -5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.700 -3.551 -6.508 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.594 -3.231 -7.981 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.596 -6.197 -5.939 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.054 -4.533 -9.796 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.322 -8.291 -6.951 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.132 -6.624 -10.808 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.543 -8.479 -9.375 1.00 0.00 H new ATOM 621 N GLU A 36 4.270 -4.306 -8.307 1.00 0.00 N ATOM 622 CA GLU A 36 5.200 -4.950 -9.219 1.00 0.00 C ATOM 623 C GLU A 36 6.469 -5.369 -8.474 1.00 0.00 C ATOM 624 O GLU A 36 7.300 -6.096 -9.016 1.00 0.00 O ATOM 625 CB GLU A 36 5.534 -4.035 -10.399 1.00 0.00 C ATOM 626 CG GLU A 36 6.330 -4.787 -11.467 1.00 0.00 C ATOM 627 CD GLU A 36 7.671 -4.101 -11.736 1.00 0.00 C ATOM 628 OE1 GLU A 36 7.785 -3.313 -12.686 1.00 0.00 O ATOM 629 OE2 GLU A 36 8.616 -4.412 -10.915 1.00 0.00 O ATOM 0 H GLU A 36 4.095 -3.320 -8.502 1.00 0.00 H new ATOM 0 HA GLU A 36 4.724 -5.845 -9.620 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.614 -3.645 -10.834 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.109 -3.178 -10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.501 -5.813 -11.143 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.751 -4.837 -12.389 1.00 0.00 H new ATOM 637 N HIS A 37 6.578 -4.893 -7.242 1.00 0.00 N ATOM 638 CA HIS A 37 7.732 -5.210 -6.417 1.00 0.00 C ATOM 639 C HIS A 37 7.268 -5.875 -5.120 1.00 0.00 C ATOM 640 O HIS A 37 8.085 -6.374 -4.348 1.00 0.00 O ATOM 641 CB HIS A 37 8.583 -3.962 -6.172 1.00 0.00 C ATOM 642 CG HIS A 37 9.988 -4.061 -6.716 1.00 0.00 C ATOM 643 ND1 HIS A 37 10.828 -2.966 -6.827 1.00 0.00 N ATOM 644 CD2 HIS A 37 10.692 -5.134 -7.177 1.00 0.00 C ATOM 645 CE1 HIS A 37 11.982 -3.374 -7.334 1.00 0.00 C ATOM 646 NE2 HIS A 37 11.895 -4.718 -7.551 1.00 0.00 N ATOM 0 H HIS A 37 5.887 -4.291 -6.795 1.00 0.00 H new ATOM 0 HA HIS A 37 8.373 -5.920 -6.939 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.089 -3.103 -6.625 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.632 -3.773 -5.100 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.331 -6.151 -7.229 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.841 -2.752 -7.539 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.633 -5.306 -7.937 1.00 0.00 H new ATOM 654 N LEU A 38 5.958 -5.862 -4.921 1.00 0.00 N ATOM 655 CA LEU A 38 5.376 -6.458 -3.731 1.00 0.00 C ATOM 656 C LEU A 38 5.725 -7.947 -3.689 1.00 0.00 C ATOM 657 O LEU A 38 6.523 -8.424 -4.494 1.00 0.00 O ATOM 658 CB LEU A 38 3.873 -6.177 -3.671 1.00 0.00 C ATOM 659 CG LEU A 38 3.472 -4.757 -3.265 1.00 0.00 C ATOM 660 CD1 LEU A 38 1.950 -4.604 -3.237 1.00 0.00 C ATOM 661 CD2 LEU A 38 4.112 -4.367 -1.931 1.00 0.00 C ATOM 0 H LEU A 38 5.283 -5.448 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 38 5.798 -6.006 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.445 -6.388 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.420 -6.876 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 38 3.851 -4.066 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.692 -3.586 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.545 -4.812 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.527 -5.305 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.811 -3.354 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.784 -5.058 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.197 -4.411 -2.021 1.00 0.00 H new ATOM 673 N SER A 39 5.109 -8.640 -2.742 1.00 0.00 N ATOM 674 CA SER A 39 5.344 -10.065 -2.584 1.00 0.00 C ATOM 675 C SER A 39 4.250 -10.683 -1.711 1.00 0.00 C ATOM 676 O SER A 39 3.464 -9.965 -1.095 1.00 0.00 O ATOM 677 CB SER A 39 6.723 -10.332 -1.976 1.00 0.00 C ATOM 678 OG SER A 39 7.693 -9.385 -2.416 1.00 0.00 O ATOM 0 H SER A 39 4.447 -8.241 -2.076 1.00 0.00 H new ATOM 0 HA SER A 39 5.316 -10.527 -3.571 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.652 -10.300 -0.889 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.049 -11.337 -2.245 1.00 0.00 H new ATOM 0 HG SER A 39 7.597 -8.556 -1.903 1.00 0.00 H new ATOM 684 N ASP A 40 4.235 -12.007 -1.686 1.00 0.00 N ATOM 685 CA ASP A 40 3.251 -12.730 -0.899 1.00 0.00 C ATOM 686 C ASP A 40 3.200 -12.140 0.512 1.00 0.00 C ATOM 687 O ASP A 40 2.146 -11.696 0.965 1.00 0.00 O ATOM 688 CB ASP A 40 3.619 -14.210 -0.779 1.00 0.00 C ATOM 689 CG ASP A 40 2.463 -15.136 -0.397 1.00 0.00 C ATOM 690 OD1 ASP A 40 1.772 -14.912 0.608 1.00 0.00 O ATOM 691 OD2 ASP A 40 2.280 -16.136 -1.191 1.00 0.00 O ATOM 0 H ASP A 40 4.889 -12.599 -2.199 1.00 0.00 H new ATOM 0 HA ASP A 40 2.287 -12.638 -1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.033 -14.544 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.408 -14.313 -0.034 1.00 0.00 H new ATOM 697 N LYS A 41 4.352 -12.154 1.166 1.00 0.00 N ATOM 698 CA LYS A 41 4.451 -11.626 2.516 1.00 0.00 C ATOM 699 C LYS A 41 4.178 -10.121 2.492 1.00 0.00 C ATOM 700 O LYS A 41 3.591 -9.577 3.427 1.00 0.00 O ATOM 701 CB LYS A 41 5.799 -11.996 3.138 1.00 0.00 C ATOM 702 CG LYS A 41 5.782 -11.781 4.653 1.00 0.00 C ATOM 703 CD LYS A 41 7.091 -12.255 5.289 1.00 0.00 C ATOM 704 CE LYS A 41 7.029 -12.147 6.814 1.00 0.00 C ATOM 705 NZ LYS A 41 7.389 -10.780 7.252 1.00 0.00 N ATOM 0 H LYS A 41 5.224 -12.522 0.787 1.00 0.00 H new ATOM 0 HA LYS A 41 3.694 -12.077 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.031 -13.038 2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.588 -11.392 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.629 -10.724 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.944 -12.322 5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.286 -13.288 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.921 -11.657 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.026 -12.394 7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.709 -12.870 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.342 -10.724 8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.355 -10.558 6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.724 -10.096 6.838 1.00 0.00 H new ATOM 718 N GLU A 42 4.616 -9.489 1.413 1.00 0.00 N ATOM 719 CA GLU A 42 4.426 -8.057 1.254 1.00 0.00 C ATOM 720 C GLU A 42 2.936 -7.729 1.141 1.00 0.00 C ATOM 721 O GLU A 42 2.448 -6.809 1.795 1.00 0.00 O ATOM 722 CB GLU A 42 5.197 -7.533 0.041 1.00 0.00 C ATOM 723 CG GLU A 42 6.327 -6.597 0.473 1.00 0.00 C ATOM 724 CD GLU A 42 7.491 -7.386 1.077 1.00 0.00 C ATOM 725 OE1 GLU A 42 7.274 -8.247 1.942 1.00 0.00 O ATOM 726 OE2 GLU A 42 8.656 -7.078 0.615 1.00 0.00 O ATOM 0 H GLU A 42 5.102 -9.943 0.640 1.00 0.00 H new ATOM 0 HA GLU A 42 4.822 -7.557 2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.609 -8.370 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.517 -7.004 -0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.678 -6.024 -0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.951 -5.880 1.203 1.00 0.00 H new ATOM 734 N LEU A 43 2.254 -8.500 0.307 1.00 0.00 N ATOM 735 CA LEU A 43 0.830 -8.303 0.099 1.00 0.00 C ATOM 736 C LEU A 43 0.163 -7.987 1.439 1.00 0.00 C ATOM 737 O LEU A 43 -0.737 -7.151 1.507 1.00 0.00 O ATOM 738 CB LEU A 43 0.221 -9.508 -0.621 1.00 0.00 C ATOM 739 CG LEU A 43 0.628 -9.691 -2.084 1.00 0.00 C ATOM 740 CD1 LEU A 43 -0.402 -10.532 -2.839 1.00 0.00 C ATOM 741 CD2 LEU A 43 0.870 -8.339 -2.759 1.00 0.00 C ATOM 0 H LEU A 43 2.662 -9.263 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 43 0.656 -7.449 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.494 -10.410 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.865 -9.423 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 43 1.571 -10.238 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.088 -10.647 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.481 -11.514 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.372 -10.035 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.158 -8.498 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.043 -7.745 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.668 -7.810 -2.238 1.00 0.00 H new ATOM 753 N SER A 44 0.630 -8.671 2.473 1.00 0.00 N ATOM 754 CA SER A 44 0.090 -8.473 3.808 1.00 0.00 C ATOM 755 C SER A 44 0.089 -6.984 4.156 1.00 0.00 C ATOM 756 O SER A 44 -0.963 -6.408 4.433 1.00 0.00 O ATOM 757 CB SER A 44 0.889 -9.261 4.848 1.00 0.00 C ATOM 758 OG SER A 44 0.050 -10.077 5.660 1.00 0.00 O ATOM 0 H SER A 44 1.377 -9.363 2.414 1.00 0.00 H new ATOM 0 HA SER A 44 -0.935 -8.843 3.821 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.624 -9.887 4.342 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.443 -8.568 5.481 1.00 0.00 H new ATOM 0 HG SER A 44 0.598 -10.565 6.310 1.00 0.00 H new ATOM 764 N GLU A 45 1.279 -6.401 4.130 1.00 0.00 N ATOM 765 CA GLU A 45 1.428 -4.990 4.440 1.00 0.00 C ATOM 766 C GLU A 45 0.423 -4.161 3.637 1.00 0.00 C ATOM 767 O GLU A 45 -0.434 -3.491 4.211 1.00 0.00 O ATOM 768 CB GLU A 45 2.860 -4.519 4.179 1.00 0.00 C ATOM 769 CG GLU A 45 3.805 -5.003 5.280 1.00 0.00 C ATOM 770 CD GLU A 45 5.259 -4.981 4.803 1.00 0.00 C ATOM 771 OE1 GLU A 45 5.596 -5.646 3.812 1.00 0.00 O ATOM 772 OE2 GLU A 45 6.051 -4.240 5.502 1.00 0.00 O ATOM 0 H GLU A 45 2.149 -6.881 3.899 1.00 0.00 H new ATOM 0 HA GLU A 45 1.222 -4.848 5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.199 -4.893 3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.885 -3.431 4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.698 -4.370 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.532 -6.015 5.580 1.00 0.00 H new ATOM 780 N PHE A 46 0.562 -4.234 2.321 1.00 0.00 N ATOM 781 CA PHE A 46 -0.322 -3.499 1.433 1.00 0.00 C ATOM 782 C PHE A 46 -1.779 -3.626 1.883 1.00 0.00 C ATOM 783 O PHE A 46 -2.516 -2.640 1.898 1.00 0.00 O ATOM 784 CB PHE A 46 -0.174 -4.118 0.042 1.00 0.00 C ATOM 785 CG PHE A 46 0.343 -3.145 -1.020 1.00 0.00 C ATOM 786 CD1 PHE A 46 1.557 -2.551 -0.864 1.00 0.00 C ATOM 787 CD2 PHE A 46 -0.410 -2.875 -2.120 1.00 0.00 C ATOM 788 CE1 PHE A 46 2.037 -1.649 -1.849 1.00 0.00 C ATOM 789 CE2 PHE A 46 0.071 -1.972 -3.105 1.00 0.00 C ATOM 790 CZ PHE A 46 1.284 -1.378 -2.949 1.00 0.00 C ATOM 0 H PHE A 46 1.274 -4.791 1.849 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.059 -2.441 1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.506 -4.967 0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.141 -4.507 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.155 -2.766 0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.373 -3.347 -2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.001 -1.177 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.527 -1.757 -3.978 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.650 -0.691 -3.698 1.00 0.00 H new ATOM 800 N SER A 47 -2.152 -4.847 2.237 1.00 0.00 N ATOM 801 CA SER A 47 -3.507 -5.115 2.686 1.00 0.00 C ATOM 802 C SER A 47 -3.743 -4.471 4.054 1.00 0.00 C ATOM 803 O SER A 47 -4.867 -4.094 4.381 1.00 0.00 O ATOM 804 CB SER A 47 -3.778 -6.619 2.753 1.00 0.00 C ATOM 805 OG SER A 47 -5.098 -6.905 3.207 1.00 0.00 O ATOM 0 H SER A 47 -1.539 -5.662 2.222 1.00 0.00 H new ATOM 0 HA SER A 47 -4.198 -4.681 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.631 -7.058 1.766 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.056 -7.088 3.421 1.00 0.00 H new ATOM 0 HG SER A 47 -5.231 -7.875 3.234 1.00 0.00 H new ATOM 811 N GLU A 48 -2.665 -4.366 4.816 1.00 0.00 N ATOM 812 CA GLU A 48 -2.740 -3.775 6.141 1.00 0.00 C ATOM 813 C GLU A 48 -2.750 -2.248 6.042 1.00 0.00 C ATOM 814 O GLU A 48 -3.441 -1.577 6.807 1.00 0.00 O ATOM 815 CB GLU A 48 -1.588 -4.259 7.024 1.00 0.00 C ATOM 816 CG GLU A 48 -2.114 -5.009 8.250 1.00 0.00 C ATOM 817 CD GLU A 48 -2.152 -6.517 7.996 1.00 0.00 C ATOM 818 OE1 GLU A 48 -2.790 -6.968 7.033 1.00 0.00 O ATOM 819 OE2 GLU A 48 -1.487 -7.229 8.842 1.00 0.00 O ATOM 0 H GLU A 48 -1.734 -4.680 4.541 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.671 -4.096 6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.933 -4.912 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.988 -3.407 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.479 -4.797 9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.114 -4.653 8.497 1.00 0.00 H new ATOM 827 N ILE A 49 -1.975 -1.744 5.092 1.00 0.00 N ATOM 828 CA ILE A 49 -1.886 -0.309 4.883 1.00 0.00 C ATOM 829 C ILE A 49 -3.156 0.180 4.183 1.00 0.00 C ATOM 830 O ILE A 49 -3.771 1.154 4.615 1.00 0.00 O ATOM 831 CB ILE A 49 -0.598 0.044 4.136 1.00 0.00 C ATOM 832 CG1 ILE A 49 0.337 0.874 5.018 1.00 0.00 C ATOM 833 CG2 ILE A 49 -0.907 0.744 2.811 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.484 1.466 4.197 1.00 0.00 C ATOM 0 H ILE A 49 -1.404 -2.304 4.459 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.827 0.212 5.838 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.077 -0.883 3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.225 1.677 5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.740 0.249 5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.025 0.984 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.506 0.085 2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.461 1.662 3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.133 2.051 4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.059 0.660 3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.078 2.109 3.416 1.00 0.00 H new ATOM 846 N LEU A 50 -3.511 -0.519 3.115 1.00 0.00 N ATOM 847 CA LEU A 50 -4.697 -0.169 2.352 1.00 0.00 C ATOM 848 C LEU A 50 -5.883 -0.008 3.305 1.00 0.00 C ATOM 849 O LEU A 50 -6.828 0.721 3.009 1.00 0.00 O ATOM 850 CB LEU A 50 -4.937 -1.188 1.237 1.00 0.00 C ATOM 851 CG LEU A 50 -4.021 -1.077 0.017 1.00 0.00 C ATOM 852 CD1 LEU A 50 -4.119 -2.328 -0.859 1.00 0.00 C ATOM 853 CD2 LEU A 50 -4.314 0.200 -0.774 1.00 0.00 C ATOM 0 H LEU A 50 -2.998 -1.326 2.760 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.559 0.789 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.830 -2.188 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.969 -1.092 0.901 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.991 -1.010 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.458 -2.223 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.823 -3.202 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.146 -2.451 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.649 0.255 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.349 0.188 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.152 1.069 -0.136 1.00 0.00 H new ATOM 865 N GLU A 51 -5.794 -0.702 4.431 1.00 0.00 N ATOM 866 CA GLU A 51 -6.848 -0.645 5.429 1.00 0.00 C ATOM 867 C GLU A 51 -7.427 0.769 5.511 1.00 0.00 C ATOM 868 O GLU A 51 -8.623 0.941 5.741 1.00 0.00 O ATOM 869 CB GLU A 51 -6.335 -1.108 6.795 1.00 0.00 C ATOM 870 CG GLU A 51 -6.181 -2.629 6.836 1.00 0.00 C ATOM 871 CD GLU A 51 -7.178 -3.255 7.814 1.00 0.00 C ATOM 872 OE1 GLU A 51 -7.513 -2.639 8.837 1.00 0.00 O ATOM 873 OE2 GLU A 51 -7.609 -4.424 7.479 1.00 0.00 O ATOM 0 H GLU A 51 -5.009 -1.306 4.674 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.645 -1.325 5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.375 -0.636 7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.026 -0.788 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.337 -3.041 5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.164 -2.887 7.132 1.00 0.00 H new ATOM 881 N PHE A 52 -6.551 1.744 5.318 1.00 0.00 N ATOM 882 CA PHE A 52 -6.960 3.138 5.367 1.00 0.00 C ATOM 883 C PHE A 52 -7.542 3.586 4.025 1.00 0.00 C ATOM 884 O PHE A 52 -7.153 3.077 2.975 1.00 0.00 O ATOM 885 CB PHE A 52 -5.707 3.962 5.667 1.00 0.00 C ATOM 886 CG PHE A 52 -5.529 4.308 7.146 1.00 0.00 C ATOM 887 CD1 PHE A 52 -6.494 5.007 7.802 1.00 0.00 C ATOM 888 CD2 PHE A 52 -4.406 3.918 7.806 1.00 0.00 C ATOM 889 CE1 PHE A 52 -6.329 5.329 9.175 1.00 0.00 C ATOM 890 CE2 PHE A 52 -4.241 4.239 9.179 1.00 0.00 C ATOM 891 CZ PHE A 52 -5.206 4.938 9.835 1.00 0.00 C ATOM 0 H PHE A 52 -5.560 1.597 5.127 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.728 3.274 6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.831 3.410 5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.746 4.886 5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.386 5.317 7.278 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.639 3.364 7.285 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.095 5.884 9.695 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.349 3.928 9.703 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.080 5.182 10.879 1.00 0.00 H new ATOM 901 N GLN A 53 -8.465 4.533 4.103 1.00 0.00 N ATOM 902 CA GLN A 53 -9.104 5.056 2.907 1.00 0.00 C ATOM 903 C GLN A 53 -8.182 6.055 2.206 1.00 0.00 C ATOM 904 O GLN A 53 -7.122 6.400 2.727 1.00 0.00 O ATOM 905 CB GLN A 53 -10.453 5.696 3.241 1.00 0.00 C ATOM 906 CG GLN A 53 -11.206 4.872 4.288 1.00 0.00 C ATOM 907 CD GLN A 53 -12.672 4.689 3.890 1.00 0.00 C ATOM 908 OE1 GLN A 53 -13.548 5.439 4.287 1.00 0.00 O ATOM 909 NE2 GLN A 53 -12.889 3.652 3.086 1.00 0.00 N ATOM 0 H GLN A 53 -8.786 4.952 4.976 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.292 4.225 2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.297 6.709 3.613 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.055 5.778 2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.731 3.897 4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.148 5.368 5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.110 3.064 2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.835 3.445 2.764 1.00 0.00 H new ATOM 918 N ASP A 54 -8.618 6.493 1.034 1.00 0.00 N ATOM 919 CA ASP A 54 -7.845 7.445 0.255 1.00 0.00 C ATOM 920 C ASP A 54 -7.681 8.738 1.057 1.00 0.00 C ATOM 921 O ASP A 54 -6.571 9.249 1.198 1.00 0.00 O ATOM 922 CB ASP A 54 -8.553 7.789 -1.056 1.00 0.00 C ATOM 923 CG ASP A 54 -8.889 6.589 -1.943 1.00 0.00 C ATOM 924 OD1 ASP A 54 -9.524 5.622 -1.496 1.00 0.00 O ATOM 925 OD2 ASP A 54 -8.464 6.673 -3.159 1.00 0.00 O ATOM 0 H ASP A 54 -9.498 6.206 0.605 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.878 6.993 0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.476 8.320 -0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.923 8.475 -1.622 1.00 0.00 H new ATOM 931 N GLN A 55 -8.803 9.231 1.561 1.00 0.00 N ATOM 932 CA GLN A 55 -8.798 10.454 2.344 1.00 0.00 C ATOM 933 C GLN A 55 -7.788 10.348 3.489 1.00 0.00 C ATOM 934 O GLN A 55 -6.852 11.141 3.571 1.00 0.00 O ATOM 935 CB GLN A 55 -10.197 10.771 2.876 1.00 0.00 C ATOM 936 CG GLN A 55 -10.447 12.280 2.897 1.00 0.00 C ATOM 937 CD GLN A 55 -10.449 12.815 4.331 1.00 0.00 C ATOM 938 OE1 GLN A 55 -11.264 12.442 5.159 1.00 0.00 O ATOM 939 NE2 GLN A 55 -9.495 13.708 4.576 1.00 0.00 N ATOM 0 H GLN A 55 -9.722 8.805 1.442 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.497 11.276 1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.946 10.283 2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.308 10.366 3.882 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.677 12.788 2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.403 12.501 2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.845 13.976 3.837 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.413 14.125 5.503 1.00 0.00 H new ATOM 948 N GLU A 56 -8.012 9.360 4.343 1.00 0.00 N ATOM 949 CA GLU A 56 -7.133 9.139 5.479 1.00 0.00 C ATOM 950 C GLU A 56 -5.718 8.810 4.999 1.00 0.00 C ATOM 951 O GLU A 56 -4.741 9.337 5.529 1.00 0.00 O ATOM 952 CB GLU A 56 -7.676 8.033 6.385 1.00 0.00 C ATOM 953 CG GLU A 56 -8.928 8.499 7.131 1.00 0.00 C ATOM 954 CD GLU A 56 -9.091 7.747 8.453 1.00 0.00 C ATOM 955 OE1 GLU A 56 -8.175 7.759 9.290 1.00 0.00 O ATOM 956 OE2 GLU A 56 -10.217 7.135 8.598 1.00 0.00 O ATOM 0 H GLU A 56 -8.789 8.704 4.271 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.092 10.056 6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.911 7.152 5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.910 7.737 7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.863 9.570 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.808 8.340 6.507 1.00 0.00 H new ATOM 964 N LEU A 57 -5.653 7.941 4.001 1.00 0.00 N ATOM 965 CA LEU A 57 -4.374 7.535 3.444 1.00 0.00 C ATOM 966 C LEU A 57 -3.559 8.781 3.090 1.00 0.00 C ATOM 967 O LEU A 57 -2.474 8.991 3.631 1.00 0.00 O ATOM 968 CB LEU A 57 -4.581 6.581 2.266 1.00 0.00 C ATOM 969 CG LEU A 57 -3.328 6.226 1.462 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.440 5.250 2.235 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.699 5.691 0.078 1.00 0.00 C ATOM 0 H LEU A 57 -6.466 7.507 3.564 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.798 6.975 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.019 5.658 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.310 7.025 1.588 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.749 7.137 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.557 5.014 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.134 5.705 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.996 4.335 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.791 5.446 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.310 4.795 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.261 6.450 -0.467 1.00 0.00 H new ATOM 983 N LEU A 58 -4.113 9.574 2.185 1.00 0.00 N ATOM 984 CA LEU A 58 -3.450 10.793 1.753 1.00 0.00 C ATOM 985 C LEU A 58 -2.940 11.553 2.979 1.00 0.00 C ATOM 986 O LEU A 58 -1.737 11.765 3.125 1.00 0.00 O ATOM 987 CB LEU A 58 -4.378 11.619 0.860 1.00 0.00 C ATOM 988 CG LEU A 58 -3.710 12.356 -0.302 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.263 11.376 -1.388 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.625 13.449 -0.858 1.00 0.00 C ATOM 0 H LEU A 58 -5.013 9.397 1.739 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.581 10.557 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.142 10.957 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.891 12.352 1.483 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.814 12.848 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.791 11.926 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.549 10.667 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.129 10.835 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.125 13.957 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.552 13.000 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.851 14.169 -0.072 1.00 0.00 H new ATOM 1002 N ALA A 59 -3.879 11.942 3.828 1.00 0.00 N ATOM 1003 CA ALA A 59 -3.540 12.674 5.037 1.00 0.00 C ATOM 1004 C ALA A 59 -2.393 11.959 5.755 1.00 0.00 C ATOM 1005 O ALA A 59 -1.437 12.597 6.193 1.00 0.00 O ATOM 1006 CB ALA A 59 -4.783 12.812 5.917 1.00 0.00 C ATOM 0 H ALA A 59 -4.876 11.764 3.703 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.201 13.681 4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.528 13.361 6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.557 13.352 5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.151 11.822 6.184 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.527 10.645 5.854 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.515 9.836 6.512 1.00 0.00 C ATOM 1014 C LEU A 60 -0.149 10.129 5.886 1.00 0.00 C ATOM 1015 O LEU A 60 0.842 10.288 6.597 1.00 0.00 O ATOM 1016 CB LEU A 60 -1.903 8.357 6.475 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.512 7.792 7.760 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.131 6.415 7.514 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.480 7.762 8.889 1.00 0.00 C ATOM 0 H LEU A 60 -3.322 10.120 5.489 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.446 10.097 7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.615 8.209 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.015 7.775 6.231 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.317 8.455 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.557 6.036 8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.916 6.498 6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.362 5.728 7.161 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.939 7.356 9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.638 7.134 8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.126 8.774 9.086 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.141 10.192 4.563 1.00 0.00 N ATOM 1032 CA ILE A 61 1.086 10.463 3.834 1.00 0.00 C ATOM 1033 C ILE A 61 1.631 11.831 4.251 1.00 0.00 C ATOM 1034 O ILE A 61 2.771 11.938 4.698 1.00 0.00 O ATOM 1035 CB ILE A 61 0.856 10.326 2.328 1.00 0.00 C ATOM 1036 CG1 ILE A 61 0.277 8.952 1.984 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.140 10.618 1.548 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.347 7.864 2.087 1.00 0.00 C ATOM 0 H ILE A 61 -0.965 10.060 3.977 1.00 0.00 H new ATOM 0 HA ILE A 61 1.849 9.726 4.085 1.00 0.00 H new ATOM 0 HB ILE A 61 0.119 11.071 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.547 8.721 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.133 8.969 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.949 10.514 0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.471 11.635 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.916 9.914 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.909 6.898 1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.158 8.085 1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.738 7.833 3.104 1.00 0.00 H new ATOM 1050 N ASN A 62 0.789 12.841 4.090 1.00 0.00 N ATOM 1051 CA ASN A 62 1.172 14.197 4.444 1.00 0.00 C ATOM 1052 C ASN A 62 1.604 14.234 5.911 1.00 0.00 C ATOM 1053 O ASN A 62 2.383 15.097 6.311 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.002 15.163 4.272 1.00 0.00 C ATOM 1055 CG ASN A 62 0.080 15.893 2.930 1.00 0.00 C ATOM 1056 OD1 ASN A 62 0.617 16.982 2.818 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -0.482 15.233 1.921 1.00 0.00 N ATOM 0 H ASN A 62 -0.157 12.748 3.719 1.00 0.00 H new ATOM 0 HA ASN A 62 1.987 14.500 3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.941 14.614 4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.002 15.889 5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.480 15.636 0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.915 14.324 2.084 1.00 0.00 H new ATOM 1064 N GLY A 63 1.078 13.287 6.673 1.00 0.00 N ATOM 1065 CA GLY A 63 1.399 13.200 8.088 1.00 0.00 C ATOM 1066 C GLY A 63 0.252 13.737 8.945 1.00 0.00 C ATOM 1067 O GLY A 63 0.479 14.267 10.032 1.00 0.00 O ATOM 0 H GLY A 63 0.431 12.573 6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.602 12.163 8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.307 13.766 8.294 1.00 0.00 H new ATOM 1071 N HIS A 64 -0.957 13.583 8.424 1.00 0.00 N ATOM 1072 CA HIS A 64 -2.140 14.046 9.127 1.00 0.00 C ATOM 1073 C HIS A 64 -2.551 13.012 10.178 1.00 0.00 C ATOM 1074 O HIS A 64 -2.156 13.111 11.339 1.00 0.00 O ATOM 1075 CB HIS A 64 -3.266 14.370 8.143 1.00 0.00 C ATOM 1076 CG HIS A 64 -3.586 15.842 8.040 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -3.694 16.503 6.829 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -3.823 16.773 9.009 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -3.981 17.774 7.070 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -4.060 17.939 8.421 1.00 0.00 N ATOM 0 H HIS A 64 -1.142 13.143 7.522 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.915 14.975 9.650 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.990 13.999 7.156 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.165 13.833 8.446 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.818 16.592 10.074 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.127 18.544 6.327 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.267 18.815 8.901 1.00 0.00 H new ATOM 1088 N SER A 65 -3.337 12.044 9.732 1.00 0.00 N ATOM 1089 CA SER A 65 -3.806 10.992 10.619 1.00 0.00 C ATOM 1090 C SER A 65 -2.617 10.192 11.155 1.00 0.00 C ATOM 1091 O SER A 65 -1.478 10.417 10.748 1.00 0.00 O ATOM 1092 CB SER A 65 -4.790 10.065 9.902 1.00 0.00 C ATOM 1093 OG SER A 65 -6.108 10.605 9.876 1.00 0.00 O ATOM 0 H SER A 65 -3.661 11.965 8.768 1.00 0.00 H new ATOM 0 HA SER A 65 -4.330 11.457 11.454 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.448 9.893 8.881 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.805 9.096 10.401 1.00 0.00 H new ATOM 0 HG SER A 65 -6.706 9.985 9.409 1.00 0.00 H new ATOM 1099 N GLU A 66 -2.922 9.274 12.060 1.00 0.00 N ATOM 1100 CA GLU A 66 -1.893 8.439 12.656 1.00 0.00 C ATOM 1101 C GLU A 66 -2.161 6.965 12.346 1.00 0.00 C ATOM 1102 O GLU A 66 -3.237 6.613 11.866 1.00 0.00 O ATOM 1103 CB GLU A 66 -1.802 8.674 14.165 1.00 0.00 C ATOM 1104 CG GLU A 66 -0.835 9.816 14.484 1.00 0.00 C ATOM 1105 CD GLU A 66 0.552 9.539 13.900 1.00 0.00 C ATOM 1106 OE1 GLU A 66 1.199 8.552 14.281 1.00 0.00 O ATOM 1107 OE2 GLU A 66 0.953 10.392 13.020 1.00 0.00 O ATOM 0 H GLU A 66 -3.868 9.090 12.395 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.932 8.713 12.220 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.790 8.908 14.561 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.469 7.762 14.659 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.224 10.750 14.079 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.760 9.943 15.564 1.00 0.00 H new ATOM 1115 N THR A 67 -1.163 6.142 12.634 1.00 0.00 N ATOM 1116 CA THR A 67 -1.276 4.714 12.392 1.00 0.00 C ATOM 1117 C THR A 67 -0.948 3.930 13.664 1.00 0.00 C ATOM 1118 O THR A 67 0.151 4.048 14.204 1.00 0.00 O ATOM 1119 CB THR A 67 -0.371 4.361 11.210 1.00 0.00 C ATOM 1120 OG1 THR A 67 -0.895 3.126 10.728 1.00 0.00 O ATOM 1121 CG2 THR A 67 1.054 4.017 11.646 1.00 0.00 C ATOM 0 H THR A 67 -0.272 6.437 13.033 1.00 0.00 H new ATOM 0 HA THR A 67 -2.297 4.437 12.131 1.00 0.00 H new ATOM 0 HB THR A 67 -0.344 5.197 10.511 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.451 2.382 11.185 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.654 3.774 10.769 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.493 4.871 12.161 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.032 3.160 12.319 1.00 0.00 H new ATOM 1129 N ASP A 68 -1.921 3.146 14.105 1.00 0.00 N ATOM 1130 CA ASP A 68 -1.750 2.343 15.304 1.00 0.00 C ATOM 1131 C ASP A 68 -1.250 0.951 14.912 1.00 0.00 C ATOM 1132 O ASP A 68 -1.525 -0.029 15.603 1.00 0.00 O ATOM 1133 CB ASP A 68 -3.075 2.177 16.050 1.00 0.00 C ATOM 1134 CG ASP A 68 -3.074 2.689 17.491 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -2.645 3.820 17.767 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -3.545 1.864 18.364 1.00 0.00 O ATOM 0 H ASP A 68 -2.831 3.050 13.653 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.034 2.850 15.951 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.855 2.699 15.495 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.341 1.120 16.056 1.00 0.00 H new ATOM 1142 N LYS A 69 -0.524 0.908 13.804 1.00 0.00 N ATOM 1143 CA LYS A 69 0.016 -0.348 13.312 1.00 0.00 C ATOM 1144 C LYS A 69 1.461 -0.133 12.856 1.00 0.00 C ATOM 1145 O LYS A 69 1.721 0.679 11.969 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.890 -0.933 12.228 1.00 0.00 C ATOM 1147 CG LYS A 69 -2.225 -1.393 12.818 1.00 0.00 C ATOM 1148 CD LYS A 69 -2.354 -2.917 12.760 1.00 0.00 C ATOM 1149 CE LYS A 69 -2.172 -3.535 14.148 1.00 0.00 C ATOM 1150 NZ LYS A 69 -0.743 -3.820 14.405 1.00 0.00 N ATOM 0 H LYS A 69 -0.297 1.723 13.233 1.00 0.00 H new ATOM 0 HA LYS A 69 0.040 -1.091 14.109 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.068 -0.185 11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.391 -1.775 11.748 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.305 -1.057 13.852 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.047 -0.934 12.269 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.332 -3.188 12.363 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.608 -3.323 12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.556 -2.855 14.909 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.751 -4.455 14.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.598 -4.849 14.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.167 -3.428 13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.458 -3.384 15.305 1.00 0.00 H new ATOM 1163 N GLY A 70 2.363 -0.874 13.483 1.00 0.00 N ATOM 1164 CA GLY A 70 3.774 -0.774 13.152 1.00 0.00 C ATOM 1165 C GLY A 70 4.068 -1.425 11.799 1.00 0.00 C ATOM 1166 O GLY A 70 5.208 -1.418 11.337 1.00 0.00 O ATOM 0 H GLY A 70 2.144 -1.546 14.218 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.072 0.274 13.127 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.368 -1.256 13.928 1.00 0.00 H new ATOM 1170 N HIS A 71 3.019 -1.972 11.202 1.00 0.00 N ATOM 1171 CA HIS A 71 3.150 -2.626 9.911 1.00 0.00 C ATOM 1172 C HIS A 71 2.958 -1.599 8.794 1.00 0.00 C ATOM 1173 O HIS A 71 3.227 -1.887 7.628 1.00 0.00 O ATOM 1174 CB HIS A 71 2.186 -3.809 9.801 1.00 0.00 C ATOM 1175 CG HIS A 71 2.743 -5.106 10.338 1.00 0.00 C ATOM 1176 ND1 HIS A 71 3.145 -5.262 11.653 1.00 0.00 N ATOM 1177 CD2 HIS A 71 2.957 -6.306 9.724 1.00 0.00 C ATOM 1178 CE1 HIS A 71 3.582 -6.503 11.812 1.00 0.00 C ATOM 1179 NE2 HIS A 71 3.465 -7.148 10.616 1.00 0.00 N ATOM 0 H HIS A 71 2.075 -1.976 11.588 1.00 0.00 H new ATOM 0 HA HIS A 71 4.153 -3.039 9.809 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.269 -3.569 10.339 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.915 -3.947 8.754 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.749 -6.532 8.689 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.964 -6.929 12.728 1.00 0.00 H new ATOM 0 HE2 HIS A 71 3.725 -8.118 10.436 1.00 0.00 H new ATOM 1187 N LEU A 72 2.495 -0.422 9.188 1.00 0.00 N ATOM 1188 CA LEU A 72 2.264 0.649 8.235 1.00 0.00 C ATOM 1189 C LEU A 72 3.311 1.745 8.442 1.00 0.00 C ATOM 1190 O LEU A 72 3.793 2.339 7.478 1.00 0.00 O ATOM 1191 CB LEU A 72 0.822 1.151 8.331 1.00 0.00 C ATOM 1192 CG LEU A 72 -0.208 0.138 8.836 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -1.596 0.773 8.941 1.00 0.00 C ATOM 1194 CD2 LEU A 72 -0.217 -1.117 7.960 1.00 0.00 C ATOM 0 H LEU A 72 2.273 -0.187 10.155 1.00 0.00 H new ATOM 0 HA LEU A 72 2.382 0.283 7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.803 2.018 8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.511 1.494 7.344 1.00 0.00 H new ATOM 0 HG LEU A 72 0.081 -0.172 9.840 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.309 0.032 9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.561 1.612 9.637 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.909 1.129 7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.957 -1.821 8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.469 -0.844 6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.769 -1.582 7.980 1.00 0.00 H new ATOM 1206 N ILE A 73 3.633 1.981 9.705 1.00 0.00 N ATOM 1207 CA ILE A 73 4.615 2.995 10.051 1.00 0.00 C ATOM 1208 C ILE A 73 5.789 2.917 9.074 1.00 0.00 C ATOM 1209 O ILE A 73 6.205 3.931 8.515 1.00 0.00 O ATOM 1210 CB ILE A 73 5.027 2.863 11.519 1.00 0.00 C ATOM 1211 CG1 ILE A 73 4.139 3.726 12.417 1.00 0.00 C ATOM 1212 CG2 ILE A 73 6.512 3.183 11.703 1.00 0.00 C ATOM 1213 CD1 ILE A 73 4.872 4.113 13.704 1.00 0.00 C ATOM 0 H ILE A 73 3.231 1.487 10.502 1.00 0.00 H new ATOM 0 HA ILE A 73 4.184 3.991 9.953 1.00 0.00 H new ATOM 0 HB ILE A 73 4.881 1.826 11.823 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.839 4.626 11.881 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.227 3.182 12.663 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.778 3.082 12.755 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.110 2.491 11.109 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.707 4.204 11.376 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.219 4.726 14.325 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.149 3.211 14.250 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.771 4.677 13.455 1.00 0.00 H new ATOM 1225 N PRO A 74 6.304 1.671 8.892 1.00 0.00 N ATOM 1226 CA PRO A 74 7.422 1.448 7.991 1.00 0.00 C ATOM 1227 C PRO A 74 6.971 1.512 6.531 1.00 0.00 C ATOM 1228 O PRO A 74 7.390 2.397 5.786 1.00 0.00 O ATOM 1229 CB PRO A 74 7.976 0.087 8.382 1.00 0.00 C ATOM 1230 CG PRO A 74 6.872 -0.603 9.167 1.00 0.00 C ATOM 1231 CD PRO A 74 5.837 0.447 9.536 1.00 0.00 C ATOM 0 HA PRO A 74 8.191 2.216 8.076 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.248 -0.492 7.500 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.878 0.191 8.985 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.417 -1.394 8.571 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.277 -1.072 10.064 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.845 0.167 9.181 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.766 0.570 10.617 1.00 0.00 H new ATOM 1239 N MET A 75 6.122 0.563 6.164 1.00 0.00 N ATOM 1240 CA MET A 75 5.609 0.501 4.806 1.00 0.00 C ATOM 1241 C MET A 75 5.133 1.877 4.336 1.00 0.00 C ATOM 1242 O MET A 75 5.068 2.139 3.136 1.00 0.00 O ATOM 1243 CB MET A 75 4.445 -0.490 4.744 1.00 0.00 C ATOM 1244 CG MET A 75 4.921 -1.867 4.277 1.00 0.00 C ATOM 1245 SD MET A 75 4.441 -2.135 2.579 1.00 0.00 S ATOM 1246 CE MET A 75 5.482 -3.528 2.178 1.00 0.00 C ATOM 0 H MET A 75 5.776 -0.170 6.784 1.00 0.00 H new ATOM 0 HA MET A 75 6.414 0.171 4.149 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.983 -0.575 5.727 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.680 -0.116 4.064 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.004 -1.938 4.373 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.493 -2.643 4.911 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.930 -3.377 1.196 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.270 -3.621 2.926 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.883 -4.439 2.167 1.00 0.00 H new ATOM 1256 N LEU A 76 4.813 2.721 5.307 1.00 0.00 N ATOM 1257 CA LEU A 76 4.346 4.063 5.007 1.00 0.00 C ATOM 1258 C LEU A 76 5.513 4.900 4.480 1.00 0.00 C ATOM 1259 O LEU A 76 5.360 5.649 3.517 1.00 0.00 O ATOM 1260 CB LEU A 76 3.654 4.674 6.227 1.00 0.00 C ATOM 1261 CG LEU A 76 2.199 4.256 6.452 1.00 0.00 C ATOM 1262 CD1 LEU A 76 1.759 4.554 7.887 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.275 4.909 5.422 1.00 0.00 C ATOM 0 H LEU A 76 4.868 2.501 6.301 1.00 0.00 H new ATOM 0 HA LEU A 76 3.592 4.036 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.228 4.411 7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.689 5.759 6.134 1.00 0.00 H new ATOM 0 HG LEU A 76 2.128 3.178 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.722 4.248 8.021 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.392 4.004 8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.849 5.623 8.081 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.247 4.595 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.344 5.993 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.575 4.604 4.419 1.00 0.00 H new ATOM 1275 N GLU A 77 6.655 4.744 5.135 1.00 0.00 N ATOM 1276 CA GLU A 77 7.848 5.475 4.744 1.00 0.00 C ATOM 1277 C GLU A 77 8.227 5.139 3.300 1.00 0.00 C ATOM 1278 O GLU A 77 8.297 6.026 2.451 1.00 0.00 O ATOM 1279 CB GLU A 77 9.007 5.182 5.698 1.00 0.00 C ATOM 1280 CG GLU A 77 9.257 6.365 6.636 1.00 0.00 C ATOM 1281 CD GLU A 77 10.174 7.400 5.982 1.00 0.00 C ATOM 1282 OE1 GLU A 77 10.063 7.650 4.773 1.00 0.00 O ATOM 1283 OE2 GLU A 77 11.026 7.954 6.777 1.00 0.00 O ATOM 0 H GLU A 77 6.779 4.122 5.934 1.00 0.00 H new ATOM 0 HA GLU A 77 7.633 6.542 4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.784 4.290 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.910 4.970 5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.308 6.831 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.707 6.010 7.563 1.00 0.00 H new ATOM 1291 N LYS A 78 8.462 3.856 3.067 1.00 0.00 N ATOM 1292 CA LYS A 78 8.833 3.393 1.741 1.00 0.00 C ATOM 1293 C LYS A 78 7.796 3.880 0.727 1.00 0.00 C ATOM 1294 O LYS A 78 8.120 4.649 -0.177 1.00 0.00 O ATOM 1295 CB LYS A 78 9.029 1.875 1.739 1.00 0.00 C ATOM 1296 CG LYS A 78 7.950 1.182 2.574 1.00 0.00 C ATOM 1297 CD LYS A 78 7.191 0.148 1.740 1.00 0.00 C ATOM 1298 CE LYS A 78 7.952 -1.179 1.688 1.00 0.00 C ATOM 1299 NZ LYS A 78 8.428 -1.449 0.313 1.00 0.00 N ATOM 0 H LYS A 78 8.403 3.123 3.774 1.00 0.00 H new ATOM 0 HA LYS A 78 9.793 3.816 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.997 1.502 0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.014 1.631 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.408 0.695 3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.253 1.924 2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.201 -0.013 2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.045 0.527 0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.799 -1.146 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.304 -1.990 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.942 -2.353 0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.614 -1.501 -0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.063 -0.683 0.009 1.00 0.00 H new ATOM 1312 N ILE A 79 6.570 3.412 0.911 1.00 0.00 N ATOM 1313 CA ILE A 79 5.484 3.791 0.023 1.00 0.00 C ATOM 1314 C ILE A 79 5.461 5.313 -0.127 1.00 0.00 C ATOM 1315 O ILE A 79 5.430 5.830 -1.243 1.00 0.00 O ATOM 1316 CB ILE A 79 4.160 3.201 0.514 1.00 0.00 C ATOM 1317 CG1 ILE A 79 4.198 1.672 0.487 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.981 3.760 -0.285 1.00 0.00 C ATOM 1319 CD1 ILE A 79 3.302 1.082 1.578 1.00 0.00 C ATOM 0 H ILE A 79 6.305 2.774 1.661 1.00 0.00 H new ATOM 0 HA ILE A 79 5.642 3.375 -0.972 1.00 0.00 H new ATOM 0 HB ILE A 79 4.016 3.501 1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.872 1.314 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.223 1.328 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.052 3.325 0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.945 4.843 -0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.105 3.511 -1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.347 -0.006 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.646 1.423 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.274 1.409 1.421 1.00 0.00 H new ATOM 1331 N ARG A 80 5.477 5.989 1.013 1.00 0.00 N ATOM 1332 CA ARG A 80 5.458 7.441 1.022 1.00 0.00 C ATOM 1333 C ARG A 80 6.597 7.993 0.162 1.00 0.00 C ATOM 1334 O ARG A 80 6.441 9.019 -0.498 1.00 0.00 O ATOM 1335 CB ARG A 80 5.593 7.985 2.446 1.00 0.00 C ATOM 1336 CG ARG A 80 5.721 9.510 2.441 1.00 0.00 C ATOM 1337 CD ARG A 80 5.737 10.063 3.867 1.00 0.00 C ATOM 1338 NE ARG A 80 6.288 11.437 3.871 1.00 0.00 N ATOM 1339 CZ ARG A 80 6.587 12.129 4.990 1.00 0.00 C ATOM 1340 NH1 ARG A 80 6.390 11.581 6.208 1.00 0.00 N ATOM 1341 NH2 ARG A 80 7.075 13.350 4.876 1.00 0.00 N ATOM 0 H ARG A 80 5.503 5.557 1.937 1.00 0.00 H new ATOM 0 HA ARG A 80 4.501 7.762 0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.724 7.691 3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.467 7.545 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.636 9.800 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.890 9.947 1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.727 10.066 4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.338 9.419 4.509 1.00 0.00 H new ATOM 0 HE ARG A 80 6.452 11.889 2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.012 10.637 6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.619 12.111 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.221 13.757 3.952 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.306 13.887 5.712 1.00 0.00 H new ATOM 1354 N ARG A 81 7.718 7.286 0.198 1.00 0.00 N ATOM 1355 CA ARG A 81 8.883 7.692 -0.570 1.00 0.00 C ATOM 1356 C ARG A 81 8.483 8.013 -2.012 1.00 0.00 C ATOM 1357 O ARG A 81 8.649 9.143 -2.468 1.00 0.00 O ATOM 1358 CB ARG A 81 9.948 6.594 -0.576 1.00 0.00 C ATOM 1359 CG ARG A 81 11.355 7.194 -0.554 1.00 0.00 C ATOM 1360 CD ARG A 81 12.227 6.588 -1.655 1.00 0.00 C ATOM 1361 NE ARG A 81 13.646 6.588 -1.234 1.00 0.00 N ATOM 1362 CZ ARG A 81 14.173 5.715 -0.350 1.00 0.00 C ATOM 1363 NH1 ARG A 81 13.402 4.762 0.215 1.00 0.00 N ATOM 1364 NH2 ARG A 81 15.455 5.807 -0.046 1.00 0.00 N ATOM 0 H ARG A 81 7.844 6.435 0.747 1.00 0.00 H new ATOM 0 HA ARG A 81 9.298 8.583 -0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.812 5.946 0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.828 5.971 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.296 8.274 -0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.815 7.016 0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.902 5.570 -1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.112 7.159 -2.577 1.00 0.00 H new ATOM 0 HE ARG A 81 14.264 7.292 -1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.413 4.698 -0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.809 4.106 0.882 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.031 6.530 -0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.869 5.155 0.620 1.00 0.00 H new ATOM 1377 N ALA A 82 7.963 6.999 -2.688 1.00 0.00 N ATOM 1378 CA ALA A 82 7.539 7.160 -4.068 1.00 0.00 C ATOM 1379 C ALA A 82 6.380 8.158 -4.128 1.00 0.00 C ATOM 1380 O ALA A 82 6.339 9.014 -5.010 1.00 0.00 O ATOM 1381 CB ALA A 82 7.163 5.795 -4.649 1.00 0.00 C ATOM 0 H ALA A 82 7.826 6.063 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 82 8.351 7.561 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.845 5.915 -5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.027 5.132 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.349 5.364 -4.067 1.00 0.00 H new