USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 652 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 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -159:sc= -1.75 (180deg=-3.22!) USER MOD Single : A 26 SER OG : rot 87:sc= 1.15 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 51:sc= 0.839 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0513 K(o=-0.051,f=-1.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 29:sc= -0.534 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl 165:sc= -10.7! (180deg=-12.3!) USER MOD Single : A 46 SER OG : rot -160:sc= -3.15! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc=-0.00413 X(o=-0.0041,f=-0.19) USER MOD Single : A 52 THR OG1 : rot 177:sc= -0.407 USER MOD Single : A 53 THR OG1 : rot -47:sc= -0.232! USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.496 F(o=-2.5,f=-0.5) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 98:sc= 0.0118 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc=-0.00982 X(o=-0.0098,f=-0.017) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 10 -8.008 -9.207 -3.385 1.00 0.00 N ATOM 91 CA LEU A 10 -7.051 -8.226 -2.903 1.00 0.00 C ATOM 92 C LEU A 10 -6.594 -7.349 -4.070 1.00 0.00 C ATOM 93 O LEU A 10 -6.936 -6.169 -4.136 1.00 0.00 O ATOM 94 CB LEU A 10 -5.902 -8.915 -2.165 1.00 0.00 C ATOM 95 CG LEU A 10 -4.822 -7.993 -1.595 1.00 0.00 C ATOM 96 CD1 LEU A 10 -5.179 -7.542 -0.178 1.00 0.00 C ATOM 97 CD2 LEU A 10 -3.445 -8.659 -1.655 1.00 0.00 C ATOM 0 HA LEU A 10 -7.518 -7.566 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.321 -9.500 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.427 -9.618 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.774 -7.098 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.395 -6.888 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.126 -7.002 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.271 -8.414 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.696 -7.983 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.461 -9.580 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.197 -8.889 -2.691 1.00 0.00 H new ATOM 109 N GLU A 11 -5.828 -7.959 -4.963 1.00 0.00 N ATOM 110 CA GLU A 11 -5.321 -7.249 -6.125 1.00 0.00 C ATOM 111 C GLU A 11 -6.383 -6.289 -6.666 1.00 0.00 C ATOM 112 O GLU A 11 -6.225 -5.072 -6.582 1.00 0.00 O ATOM 113 CB GLU A 11 -4.863 -8.227 -7.208 1.00 0.00 C ATOM 114 CG GLU A 11 -4.358 -7.479 -8.444 1.00 0.00 C ATOM 115 CD GLU A 11 -3.671 -8.435 -9.421 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.227 -9.536 -9.624 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.605 -8.044 -9.943 1.00 0.00 O ATOM 0 H GLU A 11 -5.546 -8.938 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.453 -6.664 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.071 -8.865 -6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.690 -8.880 -7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.193 -6.984 -8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.660 -6.699 -8.141 1.00 0.00 H new ATOM 124 N GLU A 12 -7.441 -6.873 -7.208 1.00 0.00 N ATOM 125 CA GLU A 12 -8.529 -6.085 -7.762 1.00 0.00 C ATOM 126 C GLU A 12 -8.774 -4.842 -6.905 1.00 0.00 C ATOM 127 O GLU A 12 -8.915 -3.739 -7.430 1.00 0.00 O ATOM 128 CB GLU A 12 -9.803 -6.923 -7.891 1.00 0.00 C ATOM 129 CG GLU A 12 -10.086 -7.692 -6.600 1.00 0.00 C ATOM 130 CD GLU A 12 -11.067 -8.840 -6.849 1.00 0.00 C ATOM 131 OE1 GLU A 12 -10.613 -9.863 -7.407 1.00 0.00 O ATOM 132 OE2 GLU A 12 -12.247 -8.669 -6.477 1.00 0.00 O ATOM 0 H GLU A 12 -7.568 -7.883 -7.275 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.244 -5.761 -8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.647 -6.274 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.700 -7.623 -8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.154 -8.087 -6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.496 -7.014 -5.851 1.00 0.00 H new ATOM 139 N GLU A 13 -8.819 -5.063 -5.599 1.00 0.00 N ATOM 140 CA GLU A 13 -9.045 -3.974 -4.664 1.00 0.00 C ATOM 141 C GLU A 13 -7.833 -3.041 -4.632 1.00 0.00 C ATOM 142 O GLU A 13 -7.973 -1.830 -4.796 1.00 0.00 O ATOM 143 CB GLU A 13 -9.362 -4.509 -3.266 1.00 0.00 C ATOM 144 CG GLU A 13 -8.807 -3.580 -2.184 1.00 0.00 C ATOM 145 CD GLU A 13 -9.469 -3.856 -0.832 1.00 0.00 C ATOM 146 OE1 GLU A 13 -10.714 -3.756 -0.780 1.00 0.00 O ATOM 147 OE2 GLU A 13 -8.715 -4.159 0.117 1.00 0.00 O ATOM 0 H GLU A 13 -8.703 -5.980 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.909 -3.403 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.441 -4.608 -3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.936 -5.505 -3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.729 -3.717 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.975 -2.542 -2.470 1.00 0.00 H new ATOM 154 N LEU A 14 -6.670 -3.640 -4.419 1.00 0.00 N ATOM 155 CA LEU A 14 -5.435 -2.878 -4.364 1.00 0.00 C ATOM 156 C LEU A 14 -5.446 -1.815 -5.464 1.00 0.00 C ATOM 157 O LEU A 14 -5.059 -0.671 -5.231 1.00 0.00 O ATOM 158 CB LEU A 14 -4.225 -3.813 -4.424 1.00 0.00 C ATOM 159 CG LEU A 14 -3.945 -4.630 -3.162 1.00 0.00 C ATOM 160 CD1 LEU A 14 -2.954 -5.760 -3.448 1.00 0.00 C ATOM 161 CD2 LEU A 14 -3.472 -3.729 -2.019 1.00 0.00 C ATOM 0 H LEU A 14 -6.558 -4.645 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.355 -2.351 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.365 -4.503 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.341 -3.217 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.878 -5.094 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.773 -6.325 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.367 -6.423 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.015 -5.338 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.280 -4.335 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.556 -3.217 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.243 -2.992 -1.794 1.00 0.00 H new ATOM 173 N LEU A 15 -5.895 -2.231 -6.639 1.00 0.00 N ATOM 174 CA LEU A 15 -5.962 -1.329 -7.776 1.00 0.00 C ATOM 175 C LEU A 15 -6.838 -0.127 -7.417 1.00 0.00 C ATOM 176 O LEU A 15 -6.358 1.005 -7.376 1.00 0.00 O ATOM 177 CB LEU A 15 -6.428 -2.077 -9.027 1.00 0.00 C ATOM 178 CG LEU A 15 -5.575 -3.276 -9.447 1.00 0.00 C ATOM 179 CD1 LEU A 15 -6.450 -4.501 -9.723 1.00 0.00 C ATOM 180 CD2 LEU A 15 -4.687 -2.926 -10.643 1.00 0.00 C ATOM 0 H LEU A 15 -6.216 -3.181 -6.828 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.971 -0.943 -8.014 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.448 -2.422 -8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.461 -1.371 -9.857 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.914 -3.531 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.819 -5.339 -10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.003 -4.764 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.152 -4.273 -10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.091 -3.796 -10.921 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.312 -2.630 -11.486 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.024 -2.103 -10.376 1.00 0.00 H new ATOM 192 N ARG A 16 -8.107 -0.414 -7.167 1.00 0.00 N ATOM 193 CA ARG A 16 -9.054 0.630 -6.813 1.00 0.00 C ATOM 194 C ARG A 16 -8.393 1.655 -5.889 1.00 0.00 C ATOM 195 O ARG A 16 -8.606 2.858 -6.038 1.00 0.00 O ATOM 196 CB ARG A 16 -10.284 0.044 -6.116 1.00 0.00 C ATOM 197 CG ARG A 16 -11.388 -0.271 -7.126 1.00 0.00 C ATOM 198 CD ARG A 16 -10.932 -1.340 -8.121 1.00 0.00 C ATOM 199 NE ARG A 16 -10.310 -0.700 -9.301 1.00 0.00 N ATOM 200 CZ ARG A 16 -9.871 -1.370 -10.376 1.00 0.00 C ATOM 201 NH1 ARG A 16 -9.985 -2.705 -10.425 1.00 0.00 N ATOM 202 NH2 ARG A 16 -9.319 -0.707 -11.400 1.00 0.00 N ATOM 0 H ARG A 16 -8.502 -1.354 -7.202 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.370 1.118 -7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.005 -0.864 -5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.656 0.750 -5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.279 -0.615 -6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.664 0.636 -7.663 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.219 -2.013 -7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.783 -1.946 -8.432 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.209 0.315 -9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.405 -3.210 -9.645 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.651 -3.216 -11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.232 0.309 -11.363 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.985 -1.218 -12.218 1.00 0.00 H new ATOM 216 N ILE A 17 -7.605 1.143 -4.956 1.00 0.00 N ATOM 217 CA ILE A 17 -6.912 1.999 -4.009 1.00 0.00 C ATOM 218 C ILE A 17 -5.958 2.924 -4.767 1.00 0.00 C ATOM 219 O ILE A 17 -6.079 4.145 -4.690 1.00 0.00 O ATOM 220 CB ILE A 17 -6.225 1.159 -2.930 1.00 0.00 C ATOM 221 CG1 ILE A 17 -7.227 0.712 -1.863 1.00 0.00 C ATOM 222 CG2 ILE A 17 -5.038 1.909 -2.323 1.00 0.00 C ATOM 223 CD1 ILE A 17 -6.841 -0.651 -1.284 1.00 0.00 C ATOM 0 H ILE A 17 -7.431 0.145 -4.835 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.622 2.636 -3.481 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.830 0.258 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.267 1.452 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.225 0.657 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.568 1.289 -1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.312 2.135 -3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.387 2.838 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.569 -0.945 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.826 -1.394 -2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.853 -0.586 -0.829 1.00 0.00 H new ATOM 235 N ALA A 18 -5.030 2.306 -5.483 1.00 0.00 N ATOM 236 CA ALA A 18 -4.056 3.058 -6.255 1.00 0.00 C ATOM 237 C ALA A 18 -4.775 4.148 -7.053 1.00 0.00 C ATOM 238 O ALA A 18 -4.534 5.336 -6.845 1.00 0.00 O ATOM 239 CB ALA A 18 -3.267 2.103 -7.153 1.00 0.00 C ATOM 0 H ALA A 18 -4.932 1.293 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.341 3.550 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.536 2.668 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.751 1.367 -6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.951 1.593 -7.831 1.00 0.00 H new ATOM 245 N LYS A 19 -5.644 3.704 -7.949 1.00 0.00 N ATOM 246 CA LYS A 19 -6.400 4.626 -8.779 1.00 0.00 C ATOM 247 C LYS A 19 -6.953 5.755 -7.907 1.00 0.00 C ATOM 248 O LYS A 19 -6.892 6.924 -8.284 1.00 0.00 O ATOM 249 CB LYS A 19 -7.475 3.878 -9.570 1.00 0.00 C ATOM 250 CG LYS A 19 -6.917 3.358 -10.897 1.00 0.00 C ATOM 251 CD LYS A 19 -7.449 4.177 -12.074 1.00 0.00 C ATOM 252 CE LYS A 19 -7.773 3.276 -13.267 1.00 0.00 C ATOM 253 NZ LYS A 19 -8.728 3.945 -14.178 1.00 0.00 N ATOM 0 H LYS A 19 -5.841 2.718 -8.118 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.751 5.086 -9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.853 3.044 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.319 4.541 -9.761 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.828 3.403 -10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.190 2.311 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.344 4.719 -11.769 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.709 4.922 -12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.857 3.033 -13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.195 2.335 -12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.937 3.320 -14.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.608 4.155 -13.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.311 4.831 -14.528 1.00 0.00 H new ATOM 267 N LYS A 20 -7.481 5.365 -6.756 1.00 0.00 N ATOM 268 CA LYS A 20 -8.045 6.329 -5.826 1.00 0.00 C ATOM 269 C LYS A 20 -6.951 7.301 -5.381 1.00 0.00 C ATOM 270 O LYS A 20 -7.196 8.499 -5.246 1.00 0.00 O ATOM 271 CB LYS A 20 -8.740 5.613 -4.667 1.00 0.00 C ATOM 272 CG LYS A 20 -10.257 5.593 -4.866 1.00 0.00 C ATOM 273 CD LYS A 20 -10.987 5.644 -3.522 1.00 0.00 C ATOM 274 CE LYS A 20 -10.862 7.028 -2.882 1.00 0.00 C ATOM 275 NZ LYS A 20 -11.100 6.949 -1.423 1.00 0.00 N ATOM 0 H LYS A 20 -7.530 4.394 -6.446 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.819 6.921 -6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.366 4.592 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.499 6.113 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.558 6.442 -5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.545 4.691 -5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.039 5.400 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.574 4.891 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.869 7.435 -3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.579 7.711 -3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.011 7.897 -1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.057 6.581 -1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.400 6.313 -0.991 1.00 0.00 H new ATOM 289 N LEU A 21 -5.766 6.750 -5.164 1.00 0.00 N ATOM 290 CA LEU A 21 -4.633 7.553 -4.736 1.00 0.00 C ATOM 291 C LEU A 21 -4.120 8.375 -5.921 1.00 0.00 C ATOM 292 O LEU A 21 -4.154 9.604 -5.889 1.00 0.00 O ATOM 293 CB LEU A 21 -3.563 6.670 -4.091 1.00 0.00 C ATOM 294 CG LEU A 21 -3.981 5.930 -2.819 1.00 0.00 C ATOM 295 CD1 LEU A 21 -2.905 4.932 -2.386 1.00 0.00 C ATOM 296 CD2 LEU A 21 -4.333 6.915 -1.702 1.00 0.00 C ATOM 0 H LEU A 21 -5.566 5.756 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.937 8.260 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.237 5.933 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.699 7.292 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.882 5.357 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.227 4.420 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.746 4.201 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.973 5.463 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.627 6.363 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.465 7.535 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.158 7.550 -2.024 1.00 0.00 H new ATOM 308 N GLU A 22 -3.657 7.663 -6.938 1.00 0.00 N ATOM 309 CA GLU A 22 -3.138 8.311 -8.130 1.00 0.00 C ATOM 310 C GLU A 22 -4.017 9.504 -8.511 1.00 0.00 C ATOM 311 O GLU A 22 -3.509 10.556 -8.896 1.00 0.00 O ATOM 312 CB GLU A 22 -3.028 7.319 -9.289 1.00 0.00 C ATOM 313 CG GLU A 22 -2.122 6.143 -8.920 1.00 0.00 C ATOM 314 CD GLU A 22 -0.735 6.300 -9.547 1.00 0.00 C ATOM 315 OE1 GLU A 22 0.033 7.135 -9.022 1.00 0.00 O ATOM 316 OE2 GLU A 22 -0.475 5.583 -10.537 1.00 0.00 O ATOM 0 H GLU A 22 -3.631 6.644 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.135 8.678 -7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.019 6.950 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.632 7.825 -10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.029 6.077 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.574 5.211 -9.258 1.00 0.00 H new ATOM 323 N LYS A 23 -5.320 9.301 -8.390 1.00 0.00 N ATOM 324 CA LYS A 23 -6.274 10.347 -8.717 1.00 0.00 C ATOM 325 C LYS A 23 -5.965 11.592 -7.884 1.00 0.00 C ATOM 326 O LYS A 23 -5.915 12.701 -8.413 1.00 0.00 O ATOM 327 CB LYS A 23 -7.707 9.836 -8.551 1.00 0.00 C ATOM 328 CG LYS A 23 -8.715 10.981 -8.674 1.00 0.00 C ATOM 329 CD LYS A 23 -10.021 10.640 -7.954 1.00 0.00 C ATOM 330 CE LYS A 23 -9.962 11.061 -6.484 1.00 0.00 C ATOM 331 NZ LYS A 23 -11.184 11.807 -6.108 1.00 0.00 N ATOM 0 H LYS A 23 -5.738 8.427 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.181 10.633 -9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.917 9.079 -9.307 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.815 9.354 -7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.290 11.892 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.917 11.181 -9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.854 11.142 -8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.209 9.568 -8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.858 10.180 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.083 11.682 -6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.127 12.085 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.267 12.658 -6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.018 11.203 -6.252 1.00 0.00 H new ATOM 345 N MET A 24 -5.766 11.366 -6.593 1.00 0.00 N ATOM 346 CA MET A 24 -5.463 12.456 -5.681 1.00 0.00 C ATOM 347 C MET A 24 -4.215 13.218 -6.132 1.00 0.00 C ATOM 348 O MET A 24 -4.249 14.438 -6.286 1.00 0.00 O ATOM 349 CB MET A 24 -5.239 11.898 -4.274 1.00 0.00 C ATOM 350 CG MET A 24 -6.476 11.145 -3.781 1.00 0.00 C ATOM 351 SD MET A 24 -6.032 10.052 -2.441 1.00 0.00 S ATOM 352 CE MET A 24 -7.655 9.522 -1.922 1.00 0.00 C ATOM 0 H MET A 24 -5.809 10.445 -6.158 1.00 0.00 H new ATOM 0 HA MET A 24 -6.306 13.146 -5.678 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.378 11.229 -4.277 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.007 12.713 -3.588 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.234 11.854 -3.447 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.913 10.572 -4.599 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.606 9.150 -0.898 1.00 0.00 H new ATOM 0 HE2 MET A 24 -8.345 10.364 -1.970 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.006 8.727 -2.580 1.00 0.00 H new ATOM 362 N VAL A 25 -3.142 12.466 -6.332 1.00 0.00 N ATOM 363 CA VAL A 25 -1.885 13.055 -6.762 1.00 0.00 C ATOM 364 C VAL A 25 -2.106 13.820 -8.069 1.00 0.00 C ATOM 365 O VAL A 25 -1.680 14.966 -8.202 1.00 0.00 O ATOM 366 CB VAL A 25 -0.812 11.971 -6.878 1.00 0.00 C ATOM 367 CG1 VAL A 25 0.566 12.588 -7.130 1.00 0.00 C ATOM 368 CG2 VAL A 25 -0.795 11.081 -5.634 1.00 0.00 C ATOM 0 H VAL A 25 -3.117 11.454 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.526 13.771 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.060 11.344 -7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.311 11.796 -7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.545 13.159 -8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.825 13.249 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.023 10.319 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.583 11.689 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.766 10.600 -5.517 1.00 0.00 H new ATOM 378 N SER A 26 -2.773 13.155 -9.001 1.00 0.00 N ATOM 379 CA SER A 26 -3.056 13.757 -10.293 1.00 0.00 C ATOM 380 C SER A 26 -3.800 15.080 -10.101 1.00 0.00 C ATOM 381 O SER A 26 -3.415 16.101 -10.669 1.00 0.00 O ATOM 382 CB SER A 26 -3.873 12.811 -11.175 1.00 0.00 C ATOM 383 OG SER A 26 -3.304 11.506 -11.228 1.00 0.00 O ATOM 0 H SER A 26 -3.126 12.205 -8.887 1.00 0.00 H new ATOM 0 HA SER A 26 -2.108 13.950 -10.796 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.891 12.747 -10.792 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.937 13.220 -12.183 1.00 0.00 H new ATOM 0 HG SER A 26 -3.641 10.972 -10.479 1.00 0.00 H new ATOM 389 N ARG A 27 -4.853 15.019 -9.299 1.00 0.00 N ATOM 390 CA ARG A 27 -5.654 16.200 -9.025 1.00 0.00 C ATOM 391 C ARG A 27 -5.053 16.993 -7.863 1.00 0.00 C ATOM 392 O ARG A 27 -5.685 17.908 -7.339 1.00 0.00 O ATOM 393 CB ARG A 27 -7.096 15.819 -8.682 1.00 0.00 C ATOM 394 CG ARG A 27 -7.836 15.304 -9.917 1.00 0.00 C ATOM 395 CD ARG A 27 -8.183 16.452 -10.867 1.00 0.00 C ATOM 396 NE ARG A 27 -8.864 15.925 -12.071 1.00 0.00 N ATOM 397 CZ ARG A 27 -9.575 16.678 -12.922 1.00 0.00 C ATOM 398 NH1 ARG A 27 -9.702 17.994 -12.707 1.00 0.00 N ATOM 399 NH2 ARG A 27 -10.159 16.114 -13.988 1.00 0.00 N ATOM 0 H ARG A 27 -5.170 14.170 -8.830 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.656 16.815 -9.925 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.099 15.053 -7.906 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.618 16.686 -8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.218 14.572 -10.436 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.748 14.792 -9.611 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.826 17.172 -10.361 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.276 16.983 -11.155 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.787 14.927 -12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.258 18.423 -11.896 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.243 18.567 -13.355 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.062 15.112 -14.152 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.700 16.687 -14.636 1.00 0.00 H new ATOM 413 N LYS A 28 -3.838 16.612 -7.495 1.00 0.00 N ATOM 414 CA LYS A 28 -3.144 17.276 -6.405 1.00 0.00 C ATOM 415 C LYS A 28 -4.132 17.551 -5.270 1.00 0.00 C ATOM 416 O LYS A 28 -4.470 18.703 -5.002 1.00 0.00 O ATOM 417 CB LYS A 28 -2.424 18.527 -6.911 1.00 0.00 C ATOM 418 CG LYS A 28 -0.992 18.590 -6.378 1.00 0.00 C ATOM 419 CD LYS A 28 -0.884 19.570 -5.208 1.00 0.00 C ATOM 420 CE LYS A 28 0.448 19.404 -4.474 1.00 0.00 C ATOM 421 NZ LYS A 28 0.667 20.528 -3.537 1.00 0.00 N ATOM 0 H LYS A 28 -3.317 15.852 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.365 16.631 -6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.410 18.527 -8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.971 19.417 -6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.676 17.598 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.316 18.896 -7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.976 20.592 -5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.708 19.406 -4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.454 18.461 -3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.264 19.360 -5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.575 20.400 -3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.682 21.423 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.103 20.552 -2.838 1.00 0.00 H new ATOM 435 N LYS A 29 -4.568 16.474 -4.633 1.00 0.00 N ATOM 436 CA LYS A 29 -5.510 16.585 -3.533 1.00 0.00 C ATOM 437 C LYS A 29 -5.705 15.209 -2.893 1.00 0.00 C ATOM 438 O LYS A 29 -6.508 14.408 -3.368 1.00 0.00 O ATOM 439 CB LYS A 29 -6.813 17.233 -4.007 1.00 0.00 C ATOM 440 CG LYS A 29 -7.902 17.121 -2.937 1.00 0.00 C ATOM 441 CD LYS A 29 -8.685 18.429 -2.813 1.00 0.00 C ATOM 442 CE LYS A 29 -10.140 18.240 -3.248 1.00 0.00 C ATOM 443 NZ LYS A 29 -11.055 18.928 -2.310 1.00 0.00 N ATOM 0 H LYS A 29 -4.286 15.520 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.116 17.244 -2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.637 18.282 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.150 16.752 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.583 16.308 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.450 16.871 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.653 18.780 -1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.215 19.198 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.279 18.634 -4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.380 17.177 -3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.038 18.790 -2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.934 18.534 -1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.837 19.945 -2.295 1.00 0.00 H new ATOM 457 N THR A 30 -4.957 14.978 -1.824 1.00 0.00 N ATOM 458 CA THR A 30 -5.037 13.713 -1.114 1.00 0.00 C ATOM 459 C THR A 30 -5.705 13.907 0.249 1.00 0.00 C ATOM 460 O THR A 30 -5.057 14.326 1.207 1.00 0.00 O ATOM 461 CB THR A 30 -3.625 13.132 -1.021 1.00 0.00 C ATOM 462 OG1 THR A 30 -2.871 14.153 -0.374 1.00 0.00 O ATOM 463 CG2 THR A 30 -2.959 12.989 -2.392 1.00 0.00 C ATOM 0 H THR A 30 -4.293 15.646 -1.432 1.00 0.00 H new ATOM 0 HA THR A 30 -5.663 12.999 -1.649 1.00 0.00 H new ATOM 0 HB THR A 30 -3.665 12.158 -0.533 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.336 14.437 0.440 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.959 12.572 -2.269 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.555 12.325 -3.018 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.888 13.968 -2.866 1.00 0.00 H new ATOM 471 N GLU A 31 -6.992 13.594 0.292 1.00 0.00 N ATOM 472 CA GLU A 31 -7.754 13.729 1.521 1.00 0.00 C ATOM 473 C GLU A 31 -7.868 12.376 2.227 1.00 0.00 C ATOM 474 O GLU A 31 -7.214 12.145 3.242 1.00 0.00 O ATOM 475 CB GLU A 31 -9.137 14.322 1.246 1.00 0.00 C ATOM 476 CG GLU A 31 -9.976 14.372 2.524 1.00 0.00 C ATOM 477 CD GLU A 31 -11.249 13.535 2.378 1.00 0.00 C ATOM 478 OE1 GLU A 31 -11.102 12.319 2.130 1.00 0.00 O ATOM 479 OE2 GLU A 31 -12.339 14.130 2.518 1.00 0.00 O ATOM 0 H GLU A 31 -7.526 13.247 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.224 14.417 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.031 15.327 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.650 13.724 0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.388 14.002 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.240 15.405 2.750 1.00 0.00 H new ATOM 486 N GLY A 32 -8.703 11.518 1.660 1.00 0.00 N ATOM 487 CA GLY A 32 -8.911 10.194 2.222 1.00 0.00 C ATOM 488 C GLY A 32 -7.836 9.219 1.740 1.00 0.00 C ATOM 489 O GLY A 32 -8.150 8.142 1.235 1.00 0.00 O ATOM 0 H GLY A 32 -9.243 11.714 0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.894 10.250 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.896 9.825 1.937 1.00 0.00 H new ATOM 493 N ALA A 33 -6.588 9.631 1.912 1.00 0.00 N ATOM 494 CA ALA A 33 -5.464 8.807 1.501 1.00 0.00 C ATOM 495 C ALA A 33 -5.108 7.838 2.630 1.00 0.00 C ATOM 496 O ALA A 33 -4.763 6.685 2.377 1.00 0.00 O ATOM 497 CB ALA A 33 -4.289 9.704 1.109 1.00 0.00 C ATOM 0 H ALA A 33 -6.331 10.525 2.331 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.724 8.212 0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.446 9.085 0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.585 10.351 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.997 10.315 1.963 1.00 0.00 H new ATOM 503 N LEU A 34 -5.203 8.342 3.851 1.00 0.00 N ATOM 504 CA LEU A 34 -4.894 7.536 5.020 1.00 0.00 C ATOM 505 C LEU A 34 -5.633 6.200 4.922 1.00 0.00 C ATOM 506 O LEU A 34 -5.006 5.147 4.812 1.00 0.00 O ATOM 507 CB LEU A 34 -5.198 8.313 6.303 1.00 0.00 C ATOM 508 CG LEU A 34 -4.436 7.868 7.553 1.00 0.00 C ATOM 509 CD1 LEU A 34 -2.926 7.879 7.308 1.00 0.00 C ATOM 510 CD2 LEU A 34 -4.827 8.717 8.764 1.00 0.00 C ATOM 0 H LEU A 34 -5.490 9.299 4.057 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.828 7.311 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.982 9.367 6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.266 8.236 6.506 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.718 6.839 7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.408 7.559 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.685 7.198 6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.607 8.888 7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.271 8.380 9.639 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.593 9.763 8.566 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.896 8.614 8.951 1.00 0.00 H new ATOM 522 N ASP A 35 -6.954 6.286 4.965 1.00 0.00 N ATOM 523 CA ASP A 35 -7.785 5.096 4.882 1.00 0.00 C ATOM 524 C ASP A 35 -7.200 4.143 3.838 1.00 0.00 C ATOM 525 O ASP A 35 -7.011 2.958 4.110 1.00 0.00 O ATOM 526 CB ASP A 35 -9.211 5.449 4.454 1.00 0.00 C ATOM 527 CG ASP A 35 -10.018 6.239 5.486 1.00 0.00 C ATOM 528 OD1 ASP A 35 -9.818 7.471 5.540 1.00 0.00 O ATOM 529 OD2 ASP A 35 -10.818 5.592 6.197 1.00 0.00 O ATOM 0 H ASP A 35 -7.470 7.161 5.056 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.809 4.632 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.165 6.027 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.745 4.526 4.226 1.00 0.00 H new ATOM 534 N LEU A 36 -6.930 4.696 2.664 1.00 0.00 N ATOM 535 CA LEU A 36 -6.370 3.909 1.578 1.00 0.00 C ATOM 536 C LEU A 36 -5.040 3.302 2.026 1.00 0.00 C ATOM 537 O LEU A 36 -4.829 2.097 1.899 1.00 0.00 O ATOM 538 CB LEU A 36 -6.264 4.753 0.305 1.00 0.00 C ATOM 539 CG LEU A 36 -7.588 5.151 -0.348 1.00 0.00 C ATOM 540 CD1 LEU A 36 -7.404 6.358 -1.270 1.00 0.00 C ATOM 541 CD2 LEU A 36 -8.218 3.963 -1.078 1.00 0.00 C ATOM 0 H LEU A 36 -7.089 5.679 2.441 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.031 3.079 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.710 5.662 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.673 4.200 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.281 5.450 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.361 6.620 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.032 7.204 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.688 6.111 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.158 4.273 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.538 3.610 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.407 3.158 -0.368 1.00 0.00 H new ATOM 553 N LEU A 37 -4.176 4.164 2.541 1.00 0.00 N ATOM 554 CA LEU A 37 -2.871 3.728 3.009 1.00 0.00 C ATOM 555 C LEU A 37 -3.052 2.642 4.071 1.00 0.00 C ATOM 556 O LEU A 37 -2.315 1.658 4.090 1.00 0.00 O ATOM 557 CB LEU A 37 -2.046 4.924 3.487 1.00 0.00 C ATOM 558 CG LEU A 37 -1.687 5.961 2.421 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.415 7.327 3.054 1.00 0.00 C ATOM 560 CD2 LEU A 37 -0.514 5.483 1.563 1.00 0.00 C ATOM 0 H LEU A 37 -4.354 5.163 2.645 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.302 3.284 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.597 5.426 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.122 4.550 3.927 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.544 6.079 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.162 8.045 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.305 7.666 3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.584 7.244 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.280 6.239 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.357 5.318 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.783 4.551 1.066 1.00 0.00 H new ATOM 572 N LYS A 38 -4.038 2.857 4.930 1.00 0.00 N ATOM 573 CA LYS A 38 -4.326 1.909 5.993 1.00 0.00 C ATOM 574 C LYS A 38 -4.498 0.513 5.392 1.00 0.00 C ATOM 575 O LYS A 38 -3.704 -0.386 5.664 1.00 0.00 O ATOM 576 CB LYS A 38 -5.527 2.376 6.817 1.00 0.00 C ATOM 577 CG LYS A 38 -5.211 3.678 7.557 1.00 0.00 C ATOM 578 CD LYS A 38 -6.083 3.824 8.806 1.00 0.00 C ATOM 579 CE LYS A 38 -5.915 5.209 9.433 1.00 0.00 C ATOM 580 NZ LYS A 38 -6.651 5.291 10.715 1.00 0.00 N ATOM 0 H LYS A 38 -4.648 3.674 4.911 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.491 1.855 6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.386 2.525 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.803 1.603 7.535 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.159 3.693 7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.375 4.527 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.129 3.664 8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.815 3.057 9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.857 5.413 9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.282 5.972 8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.526 6.238 11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.662 5.117 10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.282 4.576 11.373 1.00 0.00 H new ATOM 594 N LYS A 39 -5.540 0.375 4.586 1.00 0.00 N ATOM 595 CA LYS A 39 -5.827 -0.897 3.944 1.00 0.00 C ATOM 596 C LYS A 39 -4.525 -1.499 3.411 1.00 0.00 C ATOM 597 O LYS A 39 -4.152 -2.610 3.784 1.00 0.00 O ATOM 598 CB LYS A 39 -6.908 -0.726 2.875 1.00 0.00 C ATOM 599 CG LYS A 39 -8.306 -0.781 3.495 1.00 0.00 C ATOM 600 CD LYS A 39 -8.993 0.584 3.420 1.00 0.00 C ATOM 601 CE LYS A 39 -10.513 0.437 3.507 1.00 0.00 C ATOM 602 NZ LYS A 39 -11.145 1.746 3.788 1.00 0.00 N ATOM 0 H LYS A 39 -6.196 1.123 4.363 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.234 -1.605 4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.771 0.226 2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.808 -1.509 2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.909 -1.525 2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.234 -1.099 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.638 1.219 4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.725 1.080 2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.899 0.033 2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.771 -0.274 4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.177 1.628 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.789 2.116 4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.914 2.414 3.025 1.00 0.00 H new ATOM 616 N LEU A 40 -3.869 -0.739 2.546 1.00 0.00 N ATOM 617 CA LEU A 40 -2.617 -1.183 1.958 1.00 0.00 C ATOM 618 C LEU A 40 -1.750 -1.826 3.041 1.00 0.00 C ATOM 619 O LEU A 40 -1.151 -2.878 2.819 1.00 0.00 O ATOM 620 CB LEU A 40 -1.930 -0.030 1.224 1.00 0.00 C ATOM 621 CG LEU A 40 -2.597 0.431 -0.074 1.00 0.00 C ATOM 622 CD1 LEU A 40 -1.817 1.583 -0.711 1.00 0.00 C ATOM 623 CD2 LEU A 40 -2.782 -0.740 -1.041 1.00 0.00 C ATOM 0 H LEU A 40 -4.182 0.182 2.238 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.801 -1.946 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.871 0.822 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.906 -0.328 0.997 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.590 0.809 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.312 1.892 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.780 2.424 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.802 1.255 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.258 -0.385 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.810 -1.170 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.410 -1.500 -0.576 1.00 0.00 H new ATOM 635 N ASN A 41 -1.710 -1.168 4.191 1.00 0.00 N ATOM 636 CA ASN A 41 -0.925 -1.662 5.309 1.00 0.00 C ATOM 637 C ASN A 41 -1.488 -3.010 5.765 1.00 0.00 C ATOM 638 O ASN A 41 -0.748 -3.984 5.897 1.00 0.00 O ATOM 639 CB ASN A 41 -0.989 -0.698 6.495 1.00 0.00 C ATOM 640 CG ASN A 41 0.182 -0.928 7.453 1.00 0.00 C ATOM 641 OD1 ASN A 41 1.171 -1.562 7.123 1.00 0.00 O ATOM 642 ND2 ASN A 41 0.016 -0.380 8.653 1.00 0.00 N ATOM 0 H ASN A 41 -2.209 -0.297 4.372 1.00 0.00 H new ATOM 0 HA ASN A 41 0.109 -1.759 4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.971 0.330 6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.931 -0.833 7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.742 -0.478 9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.837 0.138 8.863 1.00 0.00 H new ATOM 649 N SER A 42 -2.793 -3.023 5.993 1.00 0.00 N ATOM 650 CA SER A 42 -3.464 -4.236 6.432 1.00 0.00 C ATOM 651 C SER A 42 -3.908 -5.056 5.219 1.00 0.00 C ATOM 652 O SER A 42 -5.050 -5.508 5.156 1.00 0.00 O ATOM 653 CB SER A 42 -4.666 -3.909 7.321 1.00 0.00 C ATOM 654 OG SER A 42 -4.774 -4.807 8.422 1.00 0.00 O ATOM 0 H SER A 42 -3.404 -2.214 5.882 1.00 0.00 H new ATOM 0 HA SER A 42 -2.760 -4.823 7.021 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.575 -2.888 7.693 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.579 -3.952 6.727 1.00 0.00 H new ATOM 0 HG SER A 42 -5.552 -4.565 8.967 1.00 0.00 H new ATOM 660 N CYS A 43 -2.982 -5.223 4.286 1.00 0.00 N ATOM 661 CA CYS A 43 -3.264 -5.980 3.079 1.00 0.00 C ATOM 662 C CYS A 43 -2.041 -6.840 2.755 1.00 0.00 C ATOM 663 O CYS A 43 -0.905 -6.416 2.966 1.00 0.00 O ATOM 664 CB CYS A 43 -3.643 -5.066 1.913 1.00 0.00 C ATOM 665 SG CYS A 43 -5.462 -4.884 1.826 1.00 0.00 S ATOM 0 H CYS A 43 -2.036 -4.847 4.342 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.127 -6.624 3.245 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.177 -4.089 2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.266 -5.480 0.978 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.968 -5.006 3.017 1.00 0.00 H new ATOM 671 N GLN A 44 -2.313 -8.034 2.248 1.00 0.00 N ATOM 672 CA GLN A 44 -1.249 -8.957 1.893 1.00 0.00 C ATOM 673 C GLN A 44 -0.653 -8.583 0.535 1.00 0.00 C ATOM 674 O GLN A 44 -0.855 -9.289 -0.452 1.00 0.00 O ATOM 675 CB GLN A 44 -1.755 -10.401 1.891 1.00 0.00 C ATOM 676 CG GLN A 44 -1.029 -11.238 2.946 1.00 0.00 C ATOM 677 CD GLN A 44 -1.891 -11.407 4.200 1.00 0.00 C ATOM 678 OE1 GLN A 44 -2.561 -12.408 4.393 1.00 0.00 O ATOM 679 NE2 GLN A 44 -1.836 -10.374 5.036 1.00 0.00 N ATOM 0 H GLN A 44 -3.256 -8.383 2.075 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.464 -8.883 2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.827 -10.415 2.086 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.604 -10.841 0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.784 -12.217 2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.086 -10.759 3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.254 -9.567 4.812 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.376 -10.389 5.901 1.00 0.00 H new ATOM 688 N MET A 45 0.071 -7.473 0.528 1.00 0.00 N ATOM 689 CA MET A 45 0.698 -6.996 -0.693 1.00 0.00 C ATOM 690 C MET A 45 1.857 -7.906 -1.105 1.00 0.00 C ATOM 691 O MET A 45 2.495 -8.527 -0.257 1.00 0.00 O ATOM 692 CB MET A 45 1.218 -5.573 -0.478 1.00 0.00 C ATOM 693 CG MET A 45 1.897 -5.041 -1.741 1.00 0.00 C ATOM 694 SD MET A 45 0.682 -4.774 -3.022 1.00 0.00 S ATOM 695 CE MET A 45 -0.308 -3.505 -2.251 1.00 0.00 C ATOM 0 H MET A 45 0.237 -6.890 1.349 1.00 0.00 H new ATOM 0 HA MET A 45 -0.047 -7.004 -1.489 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.392 -4.918 -0.202 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.925 -5.562 0.352 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.415 -4.108 -1.520 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.650 -5.750 -2.085 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.943 -3.033 -3.001 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.931 -3.951 -1.476 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.345 -2.755 -1.805 1.00 0.00 H new ATOM 705 N SER A 46 2.093 -7.955 -2.408 1.00 0.00 N ATOM 706 CA SER A 46 3.164 -8.779 -2.943 1.00 0.00 C ATOM 707 C SER A 46 3.921 -8.012 -4.030 1.00 0.00 C ATOM 708 O SER A 46 3.505 -6.927 -4.432 1.00 0.00 O ATOM 709 CB SER A 46 2.619 -10.094 -3.504 1.00 0.00 C ATOM 710 OG SER A 46 1.197 -10.089 -3.591 1.00 0.00 O ATOM 0 H SER A 46 1.561 -7.438 -3.108 1.00 0.00 H new ATOM 0 HA SER A 46 3.850 -9.018 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.042 -10.269 -4.493 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.940 -10.920 -2.869 1.00 0.00 H new ATOM 0 HG SER A 46 0.869 -11.011 -3.642 1.00 0.00 H new ATOM 716 N ILE A 47 5.019 -8.607 -4.473 1.00 0.00 N ATOM 717 CA ILE A 47 5.837 -7.993 -5.505 1.00 0.00 C ATOM 718 C ILE A 47 5.076 -8.010 -6.832 1.00 0.00 C ATOM 719 O ILE A 47 4.860 -6.964 -7.441 1.00 0.00 O ATOM 720 CB ILE A 47 7.208 -8.669 -5.574 1.00 0.00 C ATOM 721 CG1 ILE A 47 8.098 -8.225 -4.411 1.00 0.00 C ATOM 722 CG2 ILE A 47 7.873 -8.425 -6.930 1.00 0.00 C ATOM 723 CD1 ILE A 47 8.215 -6.700 -4.362 1.00 0.00 C ATOM 0 H ILE A 47 5.361 -9.507 -4.136 1.00 0.00 H new ATOM 0 HA ILE A 47 6.033 -6.948 -5.264 1.00 0.00 H new ATOM 0 HB ILE A 47 7.063 -9.745 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.685 -8.592 -3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.089 -8.666 -4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.846 -8.916 -6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.244 -8.831 -7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.004 -7.354 -7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.853 -6.411 -3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.651 -6.338 -5.293 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.225 -6.263 -4.231 1.00 0.00 H new ATOM 735 N GLN A 48 4.689 -9.210 -7.240 1.00 0.00 N ATOM 736 CA GLN A 48 3.956 -9.377 -8.483 1.00 0.00 C ATOM 737 C GLN A 48 2.771 -8.411 -8.535 1.00 0.00 C ATOM 738 O GLN A 48 2.616 -7.664 -9.500 1.00 0.00 O ATOM 739 CB GLN A 48 3.490 -10.825 -8.655 1.00 0.00 C ATOM 740 CG GLN A 48 3.959 -11.396 -9.994 1.00 0.00 C ATOM 741 CD GLN A 48 5.262 -12.181 -9.830 1.00 0.00 C ATOM 742 OE1 GLN A 48 6.352 -11.633 -9.841 1.00 0.00 O ATOM 743 NE2 GLN A 48 5.089 -13.491 -9.677 1.00 0.00 N ATOM 0 H GLN A 48 4.869 -10.076 -6.732 1.00 0.00 H new ATOM 0 HA GLN A 48 4.626 -9.144 -9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.878 -11.435 -7.839 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.402 -10.870 -8.597 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.188 -12.047 -10.406 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.106 -10.585 -10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.148 -13.885 -9.677 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.897 -14.102 -9.559 1.00 0.00 H new ATOM 752 N LEU A 49 1.965 -8.455 -7.484 1.00 0.00 N ATOM 753 CA LEU A 49 0.799 -7.593 -7.398 1.00 0.00 C ATOM 754 C LEU A 49 1.251 -6.131 -7.400 1.00 0.00 C ATOM 755 O LEU A 49 0.696 -5.307 -8.125 1.00 0.00 O ATOM 756 CB LEU A 49 -0.058 -7.970 -6.188 1.00 0.00 C ATOM 757 CG LEU A 49 -0.765 -9.325 -6.264 1.00 0.00 C ATOM 758 CD1 LEU A 49 -1.401 -9.687 -4.920 1.00 0.00 C ATOM 759 CD2 LEU A 49 -1.784 -9.348 -7.405 1.00 0.00 C ATOM 0 H LEU A 49 2.097 -9.075 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 49 0.158 -7.731 -8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.576 -7.963 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.812 -7.196 -6.047 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.019 -10.089 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.897 -10.654 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.628 -9.739 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.132 -8.926 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.272 -10.322 -7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.532 -8.572 -7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.275 -9.166 -8.351 1.00 0.00 H new ATOM 771 N LEU A 50 2.253 -5.853 -6.579 1.00 0.00 N ATOM 772 CA LEU A 50 2.786 -4.505 -6.476 1.00 0.00 C ATOM 773 C LEU A 50 2.900 -3.899 -7.877 1.00 0.00 C ATOM 774 O LEU A 50 2.596 -2.724 -8.075 1.00 0.00 O ATOM 775 CB LEU A 50 4.102 -4.507 -5.698 1.00 0.00 C ATOM 776 CG LEU A 50 3.991 -4.260 -4.192 1.00 0.00 C ATOM 777 CD1 LEU A 50 5.250 -4.734 -3.464 1.00 0.00 C ATOM 778 CD2 LEU A 50 3.679 -2.791 -3.899 1.00 0.00 C ATOM 0 H LEU A 50 2.710 -6.539 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 50 2.108 -3.869 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.592 -5.468 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.754 -3.745 -6.124 1.00 0.00 H new ATOM 0 HG LEU A 50 3.157 -4.849 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.145 -4.547 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.388 -5.802 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.116 -4.192 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.605 -2.643 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.476 -2.163 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.733 -2.519 -4.368 1.00 0.00 H new ATOM 790 N GLN A 51 3.339 -4.729 -8.812 1.00 0.00 N ATOM 791 CA GLN A 51 3.497 -4.289 -10.188 1.00 0.00 C ATOM 792 C GLN A 51 2.129 -4.037 -10.825 1.00 0.00 C ATOM 793 O GLN A 51 1.798 -2.902 -11.162 1.00 0.00 O ATOM 794 CB GLN A 51 4.301 -5.307 -10.999 1.00 0.00 C ATOM 795 CG GLN A 51 5.775 -5.295 -10.588 1.00 0.00 C ATOM 796 CD GLN A 51 6.599 -6.231 -11.474 1.00 0.00 C ATOM 797 OE1 GLN A 51 6.490 -6.233 -12.690 1.00 0.00 O ATOM 798 NE2 GLN A 51 7.427 -7.025 -10.801 1.00 0.00 N ATOM 0 H GLN A 51 3.590 -5.703 -8.644 1.00 0.00 H new ATOM 0 HA GLN A 51 4.054 -3.352 -10.188 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.887 -6.304 -10.851 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.214 -5.081 -12.062 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.168 -4.281 -10.660 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.868 -5.600 -9.546 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.469 -6.973 -9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.020 -7.686 -11.303 1.00 0.00 H new ATOM 807 N THR A 52 1.373 -5.115 -10.971 1.00 0.00 N ATOM 808 CA THR A 52 0.048 -5.025 -11.562 1.00 0.00 C ATOM 809 C THR A 52 -0.731 -3.859 -10.949 1.00 0.00 C ATOM 810 O THR A 52 -1.330 -3.061 -11.669 1.00 0.00 O ATOM 811 CB THR A 52 -0.643 -6.378 -11.383 1.00 0.00 C ATOM 812 OG1 THR A 52 -0.745 -6.531 -9.970 1.00 0.00 O ATOM 813 CG2 THR A 52 0.240 -7.548 -11.822 1.00 0.00 C ATOM 0 H THR A 52 1.652 -6.055 -10.691 1.00 0.00 H new ATOM 0 HA THR A 52 0.105 -4.812 -12.629 1.00 0.00 H new ATOM 0 HB THR A 52 -1.572 -6.390 -11.953 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.228 -7.359 -9.765 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.297 -8.485 -11.674 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.493 -7.437 -12.876 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.154 -7.557 -11.228 1.00 0.00 H new ATOM 821 N THR A 53 -0.698 -3.797 -9.626 1.00 0.00 N ATOM 822 CA THR A 53 -1.393 -2.743 -8.909 1.00 0.00 C ATOM 823 C THR A 53 -0.642 -1.418 -9.047 1.00 0.00 C ATOM 824 O THR A 53 -1.256 -0.353 -9.097 1.00 0.00 O ATOM 825 CB THR A 53 -1.567 -3.194 -7.457 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.236 -3.425 -7.004 1.00 0.00 O ATOM 827 CG2 THR A 53 -2.241 -4.563 -7.346 1.00 0.00 C ATOM 0 H THR A 53 -0.200 -4.460 -9.032 1.00 0.00 H new ATOM 0 HA THR A 53 -2.382 -2.565 -9.330 1.00 0.00 H new ATOM 0 HB THR A 53 -2.156 -2.454 -6.915 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.249 -3.955 -7.671 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.340 -4.836 -6.295 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.229 -4.520 -7.805 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.635 -5.310 -7.859 1.00 0.00 H new ATOM 835 N ARG A 54 0.678 -1.526 -9.106 1.00 0.00 N ATOM 836 CA ARG A 54 1.520 -0.349 -9.238 1.00 0.00 C ATOM 837 C ARG A 54 1.256 0.625 -8.088 1.00 0.00 C ATOM 838 O ARG A 54 1.330 1.839 -8.269 1.00 0.00 O ATOM 839 CB ARG A 54 1.267 0.363 -10.569 1.00 0.00 C ATOM 840 CG ARG A 54 2.488 0.263 -11.485 1.00 0.00 C ATOM 841 CD ARG A 54 2.067 -0.006 -12.932 1.00 0.00 C ATOM 842 NE ARG A 54 3.229 0.154 -13.834 1.00 0.00 N ATOM 843 CZ ARG A 54 3.231 -0.201 -15.126 1.00 0.00 C ATOM 844 NH1 ARG A 54 2.133 -0.738 -15.675 1.00 0.00 N ATOM 845 NH2 ARG A 54 4.331 -0.020 -15.870 1.00 0.00 N ATOM 0 H ARG A 54 1.185 -2.410 -9.065 1.00 0.00 H new ATOM 0 HA ARG A 54 2.558 -0.679 -9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.401 -0.078 -11.062 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.030 1.411 -10.386 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.061 1.189 -11.435 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.143 -0.536 -11.138 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.663 -1.015 -13.021 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.273 0.682 -13.223 1.00 0.00 H new ATOM 0 HE ARG A 54 4.082 0.560 -13.448 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.296 -0.877 -15.109 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.135 -1.008 -16.659 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.167 0.388 -15.453 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.332 -0.291 -16.853 1.00 0.00 H new ATOM 859 N ILE A 55 0.952 0.055 -6.931 1.00 0.00 N ATOM 860 CA ILE A 55 0.676 0.858 -5.752 1.00 0.00 C ATOM 861 C ILE A 55 1.985 1.450 -5.225 1.00 0.00 C ATOM 862 O ILE A 55 1.980 2.489 -4.568 1.00 0.00 O ATOM 863 CB ILE A 55 -0.090 0.037 -4.712 1.00 0.00 C ATOM 864 CG1 ILE A 55 -0.681 0.941 -3.628 1.00 0.00 C ATOM 865 CG2 ILE A 55 0.794 -1.063 -4.122 1.00 0.00 C ATOM 866 CD1 ILE A 55 -1.980 1.593 -4.105 1.00 0.00 C ATOM 0 H ILE A 55 0.891 -0.953 -6.785 1.00 0.00 H new ATOM 0 HA ILE A 55 0.026 1.696 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.924 -0.455 -5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.872 0.357 -2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.040 1.713 -3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.225 -1.631 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.125 -1.730 -4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.662 -0.613 -3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.379 2.230 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.781 2.195 -4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.708 0.819 -4.349 1.00 0.00 H new ATOM 878 N GLY A 56 3.074 0.762 -5.534 1.00 0.00 N ATOM 879 CA GLY A 56 4.388 1.206 -5.100 1.00 0.00 C ATOM 880 C GLY A 56 4.660 2.641 -5.557 1.00 0.00 C ATOM 881 O GLY A 56 5.258 3.427 -4.824 1.00 0.00 O ATOM 0 H GLY A 56 3.074 -0.100 -6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.455 1.148 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.152 0.541 -5.503 1.00 0.00 H new ATOM 885 N VAL A 57 4.208 2.938 -6.767 1.00 0.00 N ATOM 886 CA VAL A 57 4.396 4.264 -7.330 1.00 0.00 C ATOM 887 C VAL A 57 3.273 5.183 -6.844 1.00 0.00 C ATOM 888 O VAL A 57 3.468 6.391 -6.711 1.00 0.00 O ATOM 889 CB VAL A 57 4.479 4.178 -8.856 1.00 0.00 C ATOM 890 CG1 VAL A 57 3.243 3.486 -9.434 1.00 0.00 C ATOM 891 CG2 VAL A 57 4.671 5.564 -9.474 1.00 0.00 C ATOM 0 H VAL A 57 3.713 2.283 -7.372 1.00 0.00 H new ATOM 0 HA VAL A 57 5.339 4.693 -6.990 1.00 0.00 H new ATOM 0 HB VAL A 57 5.350 3.575 -9.111 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.327 3.438 -10.520 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.169 2.476 -9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.350 4.050 -9.164 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.727 5.474 -10.559 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.829 6.202 -9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.594 6.005 -9.099 1.00 0.00 H new ATOM 901 N ALA A 58 2.122 4.577 -6.593 1.00 0.00 N ATOM 902 CA ALA A 58 0.969 5.326 -6.125 1.00 0.00 C ATOM 903 C ALA A 58 1.295 5.966 -4.774 1.00 0.00 C ATOM 904 O ALA A 58 1.249 7.188 -4.634 1.00 0.00 O ATOM 905 CB ALA A 58 -0.247 4.399 -6.052 1.00 0.00 C ATOM 0 H ALA A 58 1.963 3.576 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 58 0.726 6.129 -6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.112 4.961 -5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.455 3.993 -7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.040 3.582 -5.361 1.00 0.00 H new ATOM 911 N VAL A 59 1.619 5.113 -3.813 1.00 0.00 N ATOM 912 CA VAL A 59 1.953 5.580 -2.479 1.00 0.00 C ATOM 913 C VAL A 59 3.036 6.657 -2.576 1.00 0.00 C ATOM 914 O VAL A 59 2.803 7.811 -2.219 1.00 0.00 O ATOM 915 CB VAL A 59 2.364 4.398 -1.598 1.00 0.00 C ATOM 916 CG1 VAL A 59 2.795 4.873 -0.209 1.00 0.00 C ATOM 917 CG2 VAL A 59 1.235 3.370 -1.500 1.00 0.00 C ATOM 0 H VAL A 59 1.657 4.101 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 59 1.083 6.035 -2.005 1.00 0.00 H new ATOM 0 HB VAL A 59 3.220 3.912 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.082 4.013 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.644 5.550 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.967 5.394 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.552 2.540 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.352 3.839 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.995 2.997 -2.496 1.00 0.00 H new ATOM 927 N ASN A 60 4.197 6.241 -3.062 1.00 0.00 N ATOM 928 CA ASN A 60 5.316 7.156 -3.211 1.00 0.00 C ATOM 929 C ASN A 60 4.831 8.445 -3.877 1.00 0.00 C ATOM 930 O ASN A 60 5.186 9.541 -3.449 1.00 0.00 O ATOM 931 CB ASN A 60 6.409 6.550 -4.094 1.00 0.00 C ATOM 932 CG ASN A 60 7.668 7.418 -4.081 1.00 0.00 C ATOM 933 OD1 ASN A 60 7.822 8.345 -4.859 1.00 0.00 O ATOM 934 ND2 ASN A 60 8.558 7.067 -3.157 1.00 0.00 N ATOM 0 H ASN A 60 4.387 5.283 -3.357 1.00 0.00 H new ATOM 0 HA ASN A 60 5.722 7.356 -2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.651 5.547 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.042 6.450 -5.116 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.432 7.585 -3.068 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.366 6.280 -2.537 1.00 0.00 H new ATOM 941 N GLY A 61 4.026 8.270 -4.915 1.00 0.00 N ATOM 942 CA GLY A 61 3.488 9.405 -5.645 1.00 0.00 C ATOM 943 C GLY A 61 2.771 10.373 -4.702 1.00 0.00 C ATOM 944 O GLY A 61 2.699 11.571 -4.973 1.00 0.00 O ATOM 0 H GLY A 61 3.733 7.359 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.295 9.925 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.794 9.055 -6.409 1.00 0.00 H new ATOM 948 N VAL A 62 2.258 9.818 -3.614 1.00 0.00 N ATOM 949 CA VAL A 62 1.549 10.617 -2.629 1.00 0.00 C ATOM 950 C VAL A 62 2.552 11.194 -1.628 1.00 0.00 C ATOM 951 O VAL A 62 2.560 12.397 -1.375 1.00 0.00 O ATOM 952 CB VAL A 62 0.455 9.779 -1.964 1.00 0.00 C ATOM 953 CG1 VAL A 62 -0.668 10.669 -1.427 1.00 0.00 C ATOM 954 CG2 VAL A 62 -0.093 8.727 -2.930 1.00 0.00 C ATOM 0 H VAL A 62 2.319 8.824 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 62 1.049 11.458 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 62 0.901 9.257 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.432 10.048 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.262 11.362 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.111 11.232 -2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.869 8.145 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.515 9.221 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.714 8.064 -3.242 1.00 0.00 H new ATOM 964 N ARG A 63 3.374 10.307 -1.086 1.00 0.00 N ATOM 965 CA ARG A 63 4.379 10.713 -0.118 1.00 0.00 C ATOM 966 C ARG A 63 5.275 11.804 -0.709 1.00 0.00 C ATOM 967 O ARG A 63 5.970 12.505 0.024 1.00 0.00 O ATOM 968 CB ARG A 63 5.246 9.525 0.306 1.00 0.00 C ATOM 969 CG ARG A 63 6.510 9.999 1.026 1.00 0.00 C ATOM 970 CD ARG A 63 7.360 8.810 1.482 1.00 0.00 C ATOM 971 NE ARG A 63 8.605 9.293 2.120 1.00 0.00 N ATOM 972 CZ ARG A 63 9.735 9.564 1.453 1.00 0.00 C ATOM 973 NH1 ARG A 63 9.784 9.400 0.124 1.00 0.00 N ATOM 974 NH2 ARG A 63 10.816 9.997 2.115 1.00 0.00 N ATOM 0 H ARG A 63 3.365 9.309 -1.299 1.00 0.00 H new ATOM 0 HA ARG A 63 3.859 11.100 0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.674 8.868 0.962 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.521 8.939 -0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.095 10.635 0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.236 10.606 1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.796 8.197 2.185 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.601 8.176 0.629 1.00 0.00 H new ATOM 0 HE ARG A 63 8.603 9.428 3.131 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.961 9.069 -0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.644 9.606 -0.384 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.779 10.120 3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.676 10.203 1.607 1.00 0.00 H new ATOM 988 N LYS A 64 5.229 11.912 -2.028 1.00 0.00 N ATOM 989 CA LYS A 64 6.028 12.906 -2.726 1.00 0.00 C ATOM 990 C LYS A 64 5.224 14.202 -2.853 1.00 0.00 C ATOM 991 O LYS A 64 5.797 15.290 -2.893 1.00 0.00 O ATOM 992 CB LYS A 64 6.520 12.354 -4.065 1.00 0.00 C ATOM 993 CG LYS A 64 8.041 12.187 -4.063 1.00 0.00 C ATOM 994 CD LYS A 64 8.714 13.282 -4.893 1.00 0.00 C ATOM 995 CE LYS A 64 9.803 12.697 -5.794 1.00 0.00 C ATOM 996 NZ LYS A 64 9.662 13.209 -7.176 1.00 0.00 N ATOM 0 H LYS A 64 4.651 11.328 -2.633 1.00 0.00 H new ATOM 0 HA LYS A 64 6.926 13.142 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.045 11.393 -4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.225 13.027 -4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.413 12.222 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.303 11.208 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.968 13.791 -5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.149 14.030 -4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.786 12.957 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.737 11.609 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.409 12.802 -7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.731 12.939 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.747 14.246 -7.173 1.00 0.00 H new ATOM 1010 N HIS A 65 3.910 14.043 -2.912 1.00 0.00 N ATOM 1011 CA HIS A 65 3.023 15.187 -3.034 1.00 0.00 C ATOM 1012 C HIS A 65 2.194 15.331 -1.756 1.00 0.00 C ATOM 1013 O HIS A 65 1.161 15.999 -1.754 1.00 0.00 O ATOM 1014 CB HIS A 65 2.159 15.073 -4.291 1.00 0.00 C ATOM 1015 CG HIS A 65 2.941 15.129 -5.582 1.00 0.00 C ATOM 1016 ND1 HIS A 65 3.172 14.174 -6.527 1.00 0.00 N flip ATOM 1017 CD2 HIS A 65 3.592 16.272 -6.014 1.00 0.00 C flip ATOM 1018 CE1 HIS A 65 3.921 14.704 -7.486 1.00 0.00 C flip ATOM 1019 NE2 HIS A 65 4.183 16.004 -7.169 1.00 0.00 N flip ATOM 0 H HIS A 65 3.438 13.139 -2.878 1.00 0.00 H new ATOM 0 HA HIS A 65 3.611 16.097 -3.149 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.605 14.135 -4.254 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.424 15.878 -4.288 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.614 17.220 -5.498 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.266 14.190 -8.371 1.00 0.00 H new ATOM 0 HE2 HIS A 65 4.737 16.656 -7.724 1.00 0.00 H new ATOM 1061 N LYS A 69 1.982 14.407 7.919 1.00 0.00 N ATOM 1062 CA LYS A 69 2.917 13.607 8.691 1.00 0.00 C ATOM 1063 C LYS A 69 2.312 12.224 8.943 1.00 0.00 C ATOM 1064 O LYS A 69 3.038 11.257 9.169 1.00 0.00 O ATOM 1065 CB LYS A 69 3.323 14.342 9.970 1.00 0.00 C ATOM 1066 CG LYS A 69 2.188 14.326 10.995 1.00 0.00 C ATOM 1067 CD LYS A 69 2.002 15.707 11.628 1.00 0.00 C ATOM 1068 CE LYS A 69 2.861 15.855 12.885 1.00 0.00 C ATOM 1069 NZ LYS A 69 2.806 17.245 13.390 1.00 0.00 N ATOM 0 HA LYS A 69 3.840 13.455 8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.210 13.874 10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.589 15.372 9.733 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.261 14.015 10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.404 13.592 11.771 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.269 16.480 10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.952 15.856 11.881 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.510 15.168 13.655 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.893 15.584 12.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.395 17.328 14.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.162 17.894 12.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.823 17.491 13.622 1.00 0.00 H new ATOM 1083 N GLU A 70 0.989 12.175 8.895 1.00 0.00 N ATOM 1084 CA GLU A 70 0.278 10.927 9.115 1.00 0.00 C ATOM 1085 C GLU A 70 0.021 10.220 7.782 1.00 0.00 C ATOM 1086 O GLU A 70 0.221 9.012 7.667 1.00 0.00 O ATOM 1087 CB GLU A 70 -1.031 11.167 9.870 1.00 0.00 C ATOM 1088 CG GLU A 70 -0.762 11.700 11.278 1.00 0.00 C ATOM 1089 CD GLU A 70 -0.919 13.221 11.328 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -1.682 13.741 10.486 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -0.272 13.830 12.208 1.00 0.00 O ATOM 0 H GLU A 70 0.391 12.979 8.707 1.00 0.00 H new ATOM 0 HA GLU A 70 0.902 10.280 9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.647 11.878 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.595 10.237 9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.451 11.236 11.984 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.246 11.424 11.589 1.00 0.00 H new ATOM 1098 N VAL A 71 -0.418 11.004 6.809 1.00 0.00 N ATOM 1099 CA VAL A 71 -0.705 10.469 5.488 1.00 0.00 C ATOM 1100 C VAL A 71 0.607 10.073 4.808 1.00 0.00 C ATOM 1101 O VAL A 71 0.618 9.214 3.927 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.517 11.481 4.678 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.501 11.131 3.189 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -2.951 11.580 5.203 1.00 0.00 C ATOM 0 H VAL A 71 -0.582 12.006 6.908 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.316 9.570 5.564 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.049 12.458 4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.086 11.866 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.474 11.136 2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.932 10.141 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.506 12.306 4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.434 10.606 5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.936 11.899 6.245 1.00 0.00 H new ATOM 1114 N VAL A 72 1.680 10.717 5.242 1.00 0.00 N ATOM 1115 CA VAL A 72 2.994 10.443 4.685 1.00 0.00 C ATOM 1116 C VAL A 72 3.625 9.268 5.435 1.00 0.00 C ATOM 1117 O VAL A 72 4.262 8.409 4.827 1.00 0.00 O ATOM 1118 CB VAL A 72 3.853 11.708 4.724 1.00 0.00 C ATOM 1119 CG1 VAL A 72 5.340 11.359 4.810 1.00 0.00 C ATOM 1120 CG2 VAL A 72 3.568 12.601 3.514 1.00 0.00 C ATOM 0 H VAL A 72 1.667 11.428 5.973 1.00 0.00 H new ATOM 0 HA VAL A 72 2.913 10.154 3.637 1.00 0.00 H new ATOM 0 HB VAL A 72 3.588 12.266 5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.928 12.276 4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.527 10.782 5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.626 10.769 3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.191 13.494 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.792 12.055 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.517 12.892 3.516 1.00 0.00 H new ATOM 1130 N SER A 73 3.428 9.269 6.745 1.00 0.00 N ATOM 1131 CA SER A 73 3.970 8.214 7.585 1.00 0.00 C ATOM 1132 C SER A 73 3.589 6.846 7.017 1.00 0.00 C ATOM 1133 O SER A 73 4.454 6.086 6.583 1.00 0.00 O ATOM 1134 CB SER A 73 3.475 8.348 9.026 1.00 0.00 C ATOM 1135 OG SER A 73 4.525 8.706 9.920 1.00 0.00 O ATOM 0 H SER A 73 2.900 9.984 7.246 1.00 0.00 H new ATOM 0 HA SER A 73 5.056 8.307 7.593 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.688 9.101 9.071 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.032 7.405 9.346 1.00 0.00 H new ATOM 0 HG SER A 73 4.501 9.672 10.082 1.00 0.00 H new ATOM 1141 N LEU A 74 2.292 6.572 7.038 1.00 0.00 N ATOM 1142 CA LEU A 74 1.786 5.309 6.530 1.00 0.00 C ATOM 1143 C LEU A 74 2.380 5.045 5.145 1.00 0.00 C ATOM 1144 O LEU A 74 2.882 3.954 4.879 1.00 0.00 O ATOM 1145 CB LEU A 74 0.256 5.295 6.556 1.00 0.00 C ATOM 1146 CG LEU A 74 -0.389 4.480 7.678 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -1.910 4.434 7.518 1.00 0.00 C ATOM 1148 CD2 LEU A 74 0.221 3.079 7.759 1.00 0.00 C ATOM 0 H LEU A 74 1.577 7.204 7.399 1.00 0.00 H new ATOM 0 HA LEU A 74 2.100 4.487 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.096 6.324 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.100 4.907 5.602 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.180 4.978 8.625 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.344 3.848 8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.310 5.448 7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.162 3.973 6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.255 2.521 8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.063 2.558 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.290 3.158 7.956 1.00 0.00 H new ATOM 1160 N ALA A 75 2.303 6.062 4.300 1.00 0.00 N ATOM 1161 CA ALA A 75 2.827 5.954 2.949 1.00 0.00 C ATOM 1162 C ALA A 75 4.207 5.295 2.994 1.00 0.00 C ATOM 1163 O ALA A 75 4.501 4.408 2.194 1.00 0.00 O ATOM 1164 CB ALA A 75 2.863 7.340 2.303 1.00 0.00 C ATOM 0 H ALA A 75 1.886 6.965 4.525 1.00 0.00 H new ATOM 0 HA ALA A 75 2.181 5.326 2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.256 7.259 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.854 7.752 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.504 7.998 2.889 1.00 0.00 H new ATOM 1170 N LYS A 76 5.017 5.754 3.936 1.00 0.00 N ATOM 1171 CA LYS A 76 6.359 5.221 4.095 1.00 0.00 C ATOM 1172 C LYS A 76 6.273 3.774 4.586 1.00 0.00 C ATOM 1173 O LYS A 76 6.874 2.878 3.995 1.00 0.00 O ATOM 1174 CB LYS A 76 7.193 6.129 5.001 1.00 0.00 C ATOM 1175 CG LYS A 76 7.153 7.578 4.511 1.00 0.00 C ATOM 1176 CD LYS A 76 7.357 8.554 5.672 1.00 0.00 C ATOM 1177 CE LYS A 76 8.832 8.934 5.816 1.00 0.00 C ATOM 1178 NZ LYS A 76 9.516 8.011 6.749 1.00 0.00 N ATOM 0 H LYS A 76 4.770 6.490 4.598 1.00 0.00 H new ATOM 0 HA LYS A 76 6.878 5.203 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.815 6.076 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.224 5.777 5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.927 7.733 3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.196 7.776 4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.761 9.451 5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.002 8.102 6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.319 8.902 4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.916 9.958 6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.516 8.283 6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.061 8.062 7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.452 7.039 6.385 1.00 0.00 H new ATOM 1192 N VAL A 77 5.521 3.591 5.661 1.00 0.00 N ATOM 1193 CA VAL A 77 5.349 2.269 6.238 1.00 0.00 C ATOM 1194 C VAL A 77 5.220 1.240 5.113 1.00 0.00 C ATOM 1195 O VAL A 77 5.853 0.186 5.155 1.00 0.00 O ATOM 1196 CB VAL A 77 4.153 2.266 7.192 1.00 0.00 C ATOM 1197 CG1 VAL A 77 3.841 0.848 7.676 1.00 0.00 C ATOM 1198 CG2 VAL A 77 4.391 3.208 8.373 1.00 0.00 C ATOM 0 H VAL A 77 5.024 4.337 6.148 1.00 0.00 H new ATOM 0 HA VAL A 77 6.221 1.994 6.832 1.00 0.00 H new ATOM 0 HB VAL A 77 3.285 2.631 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.987 0.874 8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.607 0.215 6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.707 0.444 8.200 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.526 3.187 9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.276 2.887 8.922 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.541 4.223 8.004 1.00 0.00 H new ATOM 1208 N LEU A 78 4.395 1.581 4.134 1.00 0.00 N ATOM 1209 CA LEU A 78 4.174 0.699 3.000 1.00 0.00 C ATOM 1210 C LEU A 78 5.498 0.480 2.266 1.00 0.00 C ATOM 1211 O LEU A 78 5.919 -0.659 2.065 1.00 0.00 O ATOM 1212 CB LEU A 78 3.058 1.245 2.107 1.00 0.00 C ATOM 1213 CG LEU A 78 1.658 1.273 2.724 1.00 0.00 C ATOM 1214 CD1 LEU A 78 0.689 2.068 1.847 1.00 0.00 C ATOM 1215 CD2 LEU A 78 1.152 -0.145 2.999 1.00 0.00 C ATOM 0 H LEU A 78 3.871 2.456 4.102 1.00 0.00 H new ATOM 0 HA LEU A 78 3.830 -0.279 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.322 2.260 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.021 0.645 1.198 1.00 0.00 H new ATOM 0 HG LEU A 78 1.717 1.785 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.299 2.073 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.047 3.093 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.627 1.606 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.155 -0.097 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.111 -0.704 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.829 -0.645 3.692 1.00 0.00 H new ATOM 1227 N ILE A 79 6.117 1.587 1.885 1.00 0.00 N ATOM 1228 CA ILE A 79 7.385 1.530 1.177 1.00 0.00 C ATOM 1229 C ILE A 79 8.377 0.689 1.983 1.00 0.00 C ATOM 1230 O ILE A 79 9.098 -0.135 1.422 1.00 0.00 O ATOM 1231 CB ILE A 79 7.887 2.940 0.862 1.00 0.00 C ATOM 1232 CG1 ILE A 79 7.213 3.495 -0.394 1.00 0.00 C ATOM 1233 CG2 ILE A 79 9.413 2.967 0.754 1.00 0.00 C ATOM 1234 CD1 ILE A 79 5.840 4.084 -0.065 1.00 0.00 C ATOM 0 H ILE A 79 5.764 2.529 2.053 1.00 0.00 H new ATOM 0 HA ILE A 79 7.261 1.039 0.212 1.00 0.00 H new ATOM 0 HB ILE A 79 7.611 3.593 1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.845 4.263 -0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.105 2.702 -1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.744 3.981 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.850 2.643 1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.733 2.296 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.383 4.472 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.203 3.308 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.955 4.893 0.656 1.00 0.00 H new ATOM 1246 N LYS A 80 8.382 0.926 3.286 1.00 0.00 N ATOM 1247 CA LYS A 80 9.273 0.201 4.176 1.00 0.00 C ATOM 1248 C LYS A 80 9.055 -1.303 3.995 1.00 0.00 C ATOM 1249 O LYS A 80 9.975 -2.026 3.617 1.00 0.00 O ATOM 1250 CB LYS A 80 9.097 0.679 5.618 1.00 0.00 C ATOM 1251 CG LYS A 80 10.453 0.884 6.298 1.00 0.00 C ATOM 1252 CD LYS A 80 10.283 1.520 7.679 1.00 0.00 C ATOM 1253 CE LYS A 80 11.168 2.759 7.824 1.00 0.00 C ATOM 1254 NZ LYS A 80 10.773 3.542 9.017 1.00 0.00 N ATOM 0 H LYS A 80 7.783 1.610 3.747 1.00 0.00 H new ATOM 0 HA LYS A 80 10.313 0.406 3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.536 1.613 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.512 -0.051 6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.964 -0.074 6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.083 1.520 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.239 1.794 7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.538 0.794 8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.213 2.459 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.085 3.379 6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.384 4.380 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.782 3.844 8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.875 2.953 9.868 1.00 0.00 H new ATOM 1268 N ASN A 81 7.832 -1.728 4.275 1.00 0.00 N ATOM 1269 CA ASN A 81 7.481 -3.132 4.148 1.00 0.00 C ATOM 1270 C ASN A 81 7.695 -3.579 2.700 1.00 0.00 C ATOM 1271 O ASN A 81 8.169 -4.686 2.452 1.00 0.00 O ATOM 1272 CB ASN A 81 6.011 -3.367 4.502 1.00 0.00 C ATOM 1273 CG ASN A 81 5.826 -3.501 6.015 1.00 0.00 C ATOM 1274 OD1 ASN A 81 6.315 -4.424 6.647 1.00 0.00 O ATOM 1275 ND2 ASN A 81 5.096 -2.532 6.559 1.00 0.00 N ATOM 0 H ASN A 81 7.072 -1.125 4.589 1.00 0.00 H new ATOM 0 HA ASN A 81 8.112 -3.700 4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.407 -2.539 4.130 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.654 -4.270 4.007 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.916 -2.532 7.563 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.716 -1.789 5.972 1.00 0.00 H new ATOM 1282 N TRP A 82 7.335 -2.693 1.782 1.00 0.00 N ATOM 1283 CA TRP A 82 7.482 -2.982 0.366 1.00 0.00 C ATOM 1284 C TRP A 82 8.974 -2.947 0.029 1.00 0.00 C ATOM 1285 O TRP A 82 9.374 -3.326 -1.071 1.00 0.00 O ATOM 1286 CB TRP A 82 6.655 -2.012 -0.480 1.00 0.00 C ATOM 1287 CG TRP A 82 5.146 -2.118 -0.252 1.00 0.00 C ATOM 1288 CD1 TRP A 82 4.483 -3.026 0.477 1.00 0.00 C ATOM 1289 CD2 TRP A 82 4.132 -1.243 -0.790 1.00 0.00 C ATOM 1290 NE1 TRP A 82 3.122 -2.802 0.449 1.00 0.00 N ATOM 1291 CE2 TRP A 82 2.901 -1.683 -0.346 1.00 0.00 C ATOM 1292 CE3 TRP A 82 4.250 -0.117 -1.624 1.00 0.00 C ATOM 1293 CZ2 TRP A 82 1.696 -1.056 -0.683 1.00 0.00 C ATOM 1294 CZ3 TRP A 82 3.036 0.498 -1.952 1.00 0.00 C ATOM 1295 CH2 TRP A 82 1.789 0.068 -1.513 1.00 0.00 C ATOM 0 H TRP A 82 6.942 -1.775 1.992 1.00 0.00 H new ATOM 0 HA TRP A 82 7.096 -3.974 0.132 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.974 -0.993 -0.262 1.00 0.00 H new ATOM 0 HB3 TRP A 82 6.867 -2.194 -1.534 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.955 -3.832 1.019 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.409 -3.355 0.924 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.202 0.245 -1.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.745 -1.420 -0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.071 1.368 -2.591 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.896 0.598 -1.811 1.00 0.00 H new ATOM 1306 N LYS A 83 9.756 -2.490 0.995 1.00 0.00 N ATOM 1307 CA LYS A 83 11.195 -2.401 0.814 1.00 0.00 C ATOM 1308 C LYS A 83 11.799 -3.805 0.866 1.00 0.00 C ATOM 1309 O LYS A 83 12.572 -4.186 -0.012 1.00 0.00 O ATOM 1310 CB LYS A 83 11.804 -1.432 1.830 1.00 0.00 C ATOM 1311 CG LYS A 83 12.946 -0.629 1.205 1.00 0.00 C ATOM 1312 CD LYS A 83 14.175 -1.511 0.975 1.00 0.00 C ATOM 1313 CE LYS A 83 15.097 -1.495 2.197 1.00 0.00 C ATOM 1314 NZ LYS A 83 15.176 -2.843 2.803 1.00 0.00 N ATOM 0 H LYS A 83 9.421 -2.177 1.906 1.00 0.00 H new ATOM 0 HA LYS A 83 11.430 -1.988 -0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.035 -0.752 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.174 -1.988 2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.618 -0.201 0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.209 0.204 1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.860 -2.533 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.720 -1.160 0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.093 -1.162 1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.725 -0.781 2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 15.805 -2.815 3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.227 -3.146 3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.552 -3.516 2.105 1.00 0.00 H new ATOM 1328 N ARG A 84 11.423 -4.539 1.904 1.00 0.00 N ATOM 1329 CA ARG A 84 11.918 -5.893 2.082 1.00 0.00 C ATOM 1330 C ARG A 84 11.405 -6.797 0.959 1.00 0.00 C ATOM 1331 O ARG A 84 11.921 -7.895 0.757 1.00 0.00 O ATOM 1332 CB ARG A 84 11.479 -6.467 3.430 1.00 0.00 C ATOM 1333 CG ARG A 84 12.209 -5.777 4.584 1.00 0.00 C ATOM 1334 CD ARG A 84 11.253 -4.893 5.388 1.00 0.00 C ATOM 1335 NE ARG A 84 11.136 -5.402 6.773 1.00 0.00 N ATOM 1336 CZ ARG A 84 10.294 -6.374 7.147 1.00 0.00 C ATOM 1337 NH1 ARG A 84 9.488 -6.948 6.243 1.00 0.00 N ATOM 1338 NH2 ARG A 84 10.256 -6.772 8.427 1.00 0.00 N ATOM 0 H ARG A 84 10.781 -4.221 2.630 1.00 0.00 H new ATOM 0 HA ARG A 84 13.007 -5.855 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.403 -6.342 3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.680 -7.538 3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.653 -6.527 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.026 -5.172 4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.617 -3.866 5.399 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.272 -4.878 4.913 1.00 0.00 H new ATOM 0 HE ARG A 84 11.734 -4.986 7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.516 -6.645 5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.847 -7.688 6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.868 -6.334 9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.615 -7.512 8.712 1.00 0.00 H new