USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 485 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 ASN : amide:sc= -0.366 K(o=-0.37,f=-8.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -8.43! C(o=-8.4!,f=-4.6!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 24 ASN : amide:sc= -0.0116 K(o=-0.012,f=-1.3!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.164 K(o=-0.16,f=-0.76) USER MOD Single : A 39 GLN : amide:sc= -0.31 K(o=-0.31,f=-1.5) USER MOD Single : A 41 ASN : amide:sc=-0.00471 K(o=-0.0047,f=-1.2) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 46 SER OG : rot -40:sc= 0.207 USER MOD Single : A 48 LYS NZ :NH3+ -144:sc= -3! (180deg=-4.28!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 114:sc= 0.00558 USER MOD Single : A 56 ASN : amide:sc= -7.01! C(o=-7!,f=-3.9!) USER MOD Single : A 57 ASN : amide:sc= -0.73 K(o=-0.73,f=-0.14) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -28:sc= -1.85! USER MOD Single : A 73 ASN : amide:sc= -0.0378 K(o=-0.038,f=-1.3!) USER MOD Single : A 79 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 82 ASN : amide:sc= -1.62 K(o=-1.6,f=-1.1) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N PHE A 18 -3.661 9.353 6.255 1.00 0.00 N ATOM 73 CA PHE A 18 -4.129 8.213 5.403 1.00 0.00 C ATOM 74 C PHE A 18 -5.202 8.783 4.524 1.00 0.00 C ATOM 75 O PHE A 18 -6.276 9.009 5.081 1.00 0.00 O ATOM 76 CB PHE A 18 -4.747 7.016 6.317 1.00 0.00 C ATOM 77 CG PHE A 18 -5.987 7.445 7.189 1.00 0.00 C ATOM 78 CD1 PHE A 18 -5.800 8.021 8.465 1.00 0.00 C ATOM 79 CD2 PHE A 18 -7.330 7.304 6.693 1.00 0.00 C ATOM 80 CE1 PHE A 18 -6.895 8.447 9.230 1.00 0.00 C ATOM 81 CE2 PHE A 18 -8.415 7.748 7.466 1.00 0.00 C ATOM 82 CZ PHE A 18 -8.200 8.319 8.730 1.00 0.00 C ATOM 0 HA PHE A 18 -3.305 7.786 4.831 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.042 6.192 5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.966 6.638 6.977 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.800 8.135 8.857 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.504 6.856 5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.734 8.875 10.208 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.421 7.650 7.086 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.039 8.660 9.318 1.00 0.00 H new ATOM 92 N ASN A 19 -5.099 9.181 3.226 1.00 0.00 N ATOM 93 CA ASN A 19 -6.375 9.772 2.842 1.00 0.00 C ATOM 94 C ASN A 19 -7.261 8.737 2.154 1.00 0.00 C ATOM 95 O ASN A 19 -7.073 7.534 2.327 1.00 0.00 O ATOM 96 CB ASN A 19 -6.077 11.038 1.916 1.00 0.00 C ATOM 97 CG ASN A 19 -5.319 10.669 0.613 1.00 0.00 C ATOM 98 OD1 ASN A 19 -5.208 9.504 0.253 1.00 0.00 O ATOM 99 ND2 ASN A 19 -4.786 11.597 -0.129 1.00 0.00 N ATOM 0 H ASN A 19 -4.325 9.122 2.564 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.927 10.105 3.721 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.019 11.522 1.658 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.489 11.763 2.479 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.292 11.345 -0.985 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.863 12.576 0.146 1.00 0.00 H new ATOM 106 N LYS A 20 -8.225 9.215 1.375 1.00 0.00 N ATOM 107 CA LYS A 20 -9.133 8.321 0.665 1.00 0.00 C ATOM 108 C LYS A 20 -8.499 7.832 -0.633 1.00 0.00 C ATOM 109 O LYS A 20 -8.491 6.635 -0.919 1.00 0.00 O ATOM 110 CB LYS A 20 -10.508 9.093 0.397 1.00 0.00 C ATOM 111 CG LYS A 20 -10.339 10.410 -0.515 1.00 0.00 C ATOM 112 CD LYS A 20 -11.709 11.206 -0.708 1.00 0.00 C ATOM 113 CE LYS A 20 -11.526 12.504 -1.593 1.00 0.00 C ATOM 114 NZ LYS A 20 -12.837 13.203 -1.738 1.00 0.00 N ATOM 0 H LYS A 20 -8.397 10.208 1.220 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.336 7.438 1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.209 8.413 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.948 9.377 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.601 11.070 -0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.950 10.123 -1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.445 10.551 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.105 11.487 0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.797 13.170 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.136 12.235 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.713 14.056 -2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.521 12.567 -2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.192 13.474 -0.799 1.00 0.00 H new ATOM 128 N GLU A 21 -7.970 8.767 -1.415 1.00 0.00 N ATOM 129 CA GLU A 21 -7.336 8.419 -2.682 1.00 0.00 C ATOM 130 C GLU A 21 -6.308 7.311 -2.480 1.00 0.00 C ATOM 131 O GLU A 21 -6.052 6.517 -3.385 1.00 0.00 O ATOM 132 CB GLU A 21 -6.643 9.703 -3.305 1.00 0.00 C ATOM 133 CG GLU A 21 -5.996 9.426 -4.744 1.00 0.00 C ATOM 134 CD GLU A 21 -5.358 10.693 -5.371 1.00 0.00 C ATOM 135 OE1 GLU A 21 -5.629 11.789 -4.900 1.00 0.00 O ATOM 136 OE2 GLU A 21 -4.610 10.541 -6.328 1.00 0.00 O ATOM 0 H GLU A 21 -7.967 9.763 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.100 8.056 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.380 10.502 -3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.868 10.057 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.236 8.650 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.765 9.042 -5.415 1.00 0.00 H new ATOM 143 N GLN A 22 -5.722 7.263 -1.288 1.00 0.00 N ATOM 144 CA GLN A 22 -4.723 6.248 -0.978 1.00 0.00 C ATOM 145 C GLN A 22 -5.395 4.935 -0.589 1.00 0.00 C ATOM 146 O GLN A 22 -5.161 3.899 -1.210 1.00 0.00 O ATOM 147 CB GLN A 22 -3.847 6.763 0.229 1.00 0.00 C ATOM 148 CG GLN A 22 -3.287 5.597 1.118 1.00 0.00 C ATOM 149 CD GLN A 22 -2.231 4.748 0.440 1.00 0.00 C ATOM 150 OE1 GLN A 22 -1.165 5.240 0.096 1.00 0.00 O ATOM 151 NE2 GLN A 22 -2.500 3.505 0.179 1.00 0.00 N ATOM 0 H GLN A 22 -5.920 7.911 -0.526 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.102 6.072 -1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.014 7.351 -0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.447 7.430 0.849 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.866 6.021 2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.115 4.955 1.418 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.392 3.104 0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.820 2.929 -0.317 1.00 0.00 H new ATOM 160 N GLN A 23 -6.232 4.988 0.442 1.00 0.00 N ATOM 161 CA GLN A 23 -6.934 3.796 0.906 1.00 0.00 C ATOM 162 C GLN A 23 -7.560 3.052 -0.269 1.00 0.00 C ATOM 163 O GLN A 23 -7.551 1.822 -0.313 1.00 0.00 O ATOM 164 CB GLN A 23 -8.086 4.161 1.939 1.00 0.00 C ATOM 165 CG GLN A 23 -8.816 2.856 2.534 1.00 0.00 C ATOM 166 CD GLN A 23 -9.831 3.195 3.657 1.00 0.00 C ATOM 167 OE1 GLN A 23 -9.813 4.289 4.219 1.00 0.00 O ATOM 168 NE2 GLN A 23 -10.703 2.296 4.040 1.00 0.00 N ATOM 0 H GLN A 23 -6.440 5.836 0.969 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.196 3.165 1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.664 4.743 2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.824 4.794 1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.333 2.335 1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.064 2.171 2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.730 1.384 3.583 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.355 2.507 4.795 1.00 0.00 H new ATOM 177 N ASN A 24 -8.103 3.806 -1.219 1.00 0.00 N ATOM 178 CA ASN A 24 -8.732 3.207 -2.391 1.00 0.00 C ATOM 179 C ASN A 24 -7.726 2.361 -3.164 1.00 0.00 C ATOM 180 O ASN A 24 -8.011 1.222 -3.533 1.00 0.00 O ATOM 181 CB ASN A 24 -9.319 4.358 -3.300 1.00 0.00 C ATOM 182 CG ASN A 24 -10.637 4.948 -2.718 1.00 0.00 C ATOM 183 OD1 ASN A 24 -11.291 4.338 -1.866 1.00 0.00 O ATOM 184 ND2 ASN A 24 -11.067 6.105 -3.139 1.00 0.00 N ATOM 0 H ASN A 24 -8.121 4.826 -1.201 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.542 2.549 -2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.580 5.153 -3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.507 3.969 -4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.932 6.494 -2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.538 6.621 -3.842 1.00 0.00 H new ATOM 191 N ALA A 25 -6.547 2.926 -3.407 1.00 0.00 N ATOM 192 CA ALA A 25 -5.507 2.214 -4.139 1.00 0.00 C ATOM 193 C ALA A 25 -4.962 1.057 -3.306 1.00 0.00 C ATOM 194 O ALA A 25 -4.624 0.001 -3.839 1.00 0.00 O ATOM 195 CB ALA A 25 -4.391 3.235 -4.468 1.00 0.00 C ATOM 0 H ALA A 25 -6.290 3.867 -3.110 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.908 1.785 -5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.592 2.737 -5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.803 4.040 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.991 3.648 -3.542 1.00 0.00 H new ATOM 201 N PHE A 26 -4.880 1.265 -1.995 1.00 0.00 N ATOM 202 CA PHE A 26 -4.375 0.233 -1.099 1.00 0.00 C ATOM 203 C PHE A 26 -5.193 -1.047 -1.240 1.00 0.00 C ATOM 204 O PHE A 26 -4.652 -2.151 -1.183 1.00 0.00 O ATOM 205 CB PHE A 26 -4.486 0.672 0.414 1.00 0.00 C ATOM 206 CG PHE A 26 -4.053 -0.473 1.400 1.00 0.00 C ATOM 207 CD1 PHE A 26 -2.689 -0.797 1.574 1.00 0.00 C ATOM 208 CD2 PHE A 26 -5.029 -1.221 2.132 1.00 0.00 C ATOM 209 CE1 PHE A 26 -2.324 -1.828 2.450 1.00 0.00 C ATOM 210 CE2 PHE A 26 -4.641 -2.255 3.002 1.00 0.00 C ATOM 211 CZ PHE A 26 -3.288 -2.556 3.160 1.00 0.00 C ATOM 0 H PHE A 26 -5.155 2.132 -1.533 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.332 0.072 -1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.861 1.549 0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.513 0.966 0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.930 -0.252 1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.077 -0.988 2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.279 -2.066 2.581 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.388 -2.814 3.546 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.984 -3.348 3.828 1.00 0.00 H new ATOM 221 N TYR A 27 -6.500 -0.890 -1.425 1.00 0.00 N ATOM 222 CA TYR A 27 -7.384 -2.040 -1.573 1.00 0.00 C ATOM 223 C TYR A 27 -7.143 -2.732 -2.911 1.00 0.00 C ATOM 224 O TYR A 27 -7.080 -3.959 -2.984 1.00 0.00 O ATOM 225 CB TYR A 27 -8.899 -1.603 -1.447 1.00 0.00 C ATOM 226 CG TYR A 27 -9.406 -1.657 0.037 1.00 0.00 C ATOM 227 CD1 TYR A 27 -8.945 -0.749 1.025 1.00 0.00 C ATOM 228 CD2 TYR A 27 -10.354 -2.650 0.423 1.00 0.00 C ATOM 229 CE1 TYR A 27 -9.421 -0.840 2.351 1.00 0.00 C ATOM 230 CE2 TYR A 27 -10.816 -2.723 1.748 1.00 0.00 C ATOM 231 CZ TYR A 27 -10.349 -1.821 2.706 1.00 0.00 C ATOM 232 OH TYR A 27 -10.806 -1.903 4.011 1.00 0.00 O ATOM 0 H TYR A 27 -6.967 0.015 -1.476 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.161 -2.744 -0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.018 -0.591 -1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.517 -2.255 -2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.228 0.014 0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.721 -3.353 -0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.064 -0.145 3.097 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.535 -3.479 2.026 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.448 -2.640 4.087 1.00 0.00 H new ATOM 242 N GLU A 28 -7.010 -1.937 -3.967 1.00 0.00 N ATOM 243 CA GLU A 28 -6.776 -2.484 -5.299 1.00 0.00 C ATOM 244 C GLU A 28 -5.560 -3.405 -5.293 1.00 0.00 C ATOM 245 O GLU A 28 -5.589 -4.491 -5.874 1.00 0.00 O ATOM 246 CB GLU A 28 -6.646 -1.319 -6.332 1.00 0.00 C ATOM 247 CG GLU A 28 -6.641 -1.859 -7.845 1.00 0.00 C ATOM 248 CD GLU A 28 -8.024 -2.414 -8.286 1.00 0.00 C ATOM 249 OE1 GLU A 28 -8.994 -2.237 -7.559 1.00 0.00 O ATOM 250 OE2 GLU A 28 -8.095 -2.970 -9.370 1.00 0.00 O ATOM 0 H GLU A 28 -7.060 -0.919 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.627 -3.095 -5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.472 -0.621 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.727 -0.765 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.348 -1.050 -8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.890 -2.643 -7.945 1.00 0.00 H new ATOM 257 N ILE A 29 -4.493 -2.964 -4.636 1.00 0.00 N ATOM 258 CA ILE A 29 -3.272 -3.758 -4.561 1.00 0.00 C ATOM 259 C ILE A 29 -3.511 -5.036 -3.765 1.00 0.00 C ATOM 260 O ILE A 29 -2.860 -6.055 -3.997 1.00 0.00 O ATOM 261 CB ILE A 29 -2.110 -2.855 -3.892 1.00 0.00 C ATOM 262 CG1 ILE A 29 -1.747 -1.616 -4.863 1.00 0.00 C ATOM 263 CG2 ILE A 29 -0.793 -3.714 -3.566 1.00 0.00 C ATOM 264 CD1 ILE A 29 -0.843 -0.533 -4.194 1.00 0.00 C ATOM 0 H ILE A 29 -4.448 -2.068 -4.151 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.961 -4.057 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.491 -2.474 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.243 -1.998 -5.751 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.672 -1.147 -5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.039 -3.067 -3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.044 -4.515 -2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.401 -4.144 -4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.643 0.266 -4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.352 -0.122 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.098 -0.986 -3.883 1.00 0.00 H new ATOM 276 N LEU A 30 -4.449 -4.975 -2.825 1.00 0.00 N ATOM 277 CA LEU A 30 -4.766 -6.135 -2.000 1.00 0.00 C ATOM 278 C LEU A 30 -5.697 -7.085 -2.746 1.00 0.00 C ATOM 279 O LEU A 30 -5.999 -8.178 -2.266 1.00 0.00 O ATOM 280 CB LEU A 30 -5.436 -5.640 -0.643 1.00 0.00 C ATOM 281 CG LEU A 30 -5.749 -6.814 0.434 1.00 0.00 C ATOM 282 CD1 LEU A 30 -4.448 -7.608 0.853 1.00 0.00 C ATOM 283 CD2 LEU A 30 -6.466 -6.222 1.714 1.00 0.00 C ATOM 0 H LEU A 30 -4.999 -4.142 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.850 -6.679 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.779 -4.906 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.368 -5.128 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.418 -7.522 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.711 -8.382 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.004 -8.070 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.731 -6.921 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.667 -7.025 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.820 -5.478 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.406 -5.754 1.421 1.00 0.00 H new ATOM 295 N HIS A 31 -6.148 -6.661 -3.921 1.00 0.00 N ATOM 296 CA HIS A 31 -7.045 -7.484 -4.725 1.00 0.00 C ATOM 297 C HIS A 31 -6.265 -8.234 -5.800 1.00 0.00 C ATOM 298 O HIS A 31 -6.840 -8.985 -6.587 1.00 0.00 O ATOM 299 CB HIS A 31 -8.158 -6.558 -5.366 1.00 0.00 C ATOM 300 CG HIS A 31 -9.308 -7.377 -5.966 1.00 0.00 C ATOM 301 ND1 HIS A 31 -9.312 -7.781 -7.296 1.00 0.00 N ATOM 302 CD2 HIS A 31 -10.483 -7.870 -5.431 1.00 0.00 C ATOM 303 CE1 HIS A 31 -10.443 -8.476 -7.512 1.00 0.00 C ATOM 304 NE2 HIS A 31 -11.193 -8.561 -6.412 1.00 0.00 N ATOM 0 H HIS A 31 -5.910 -5.760 -4.336 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.525 -8.230 -4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.551 -5.883 -4.605 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.711 -5.937 -6.142 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.803 -7.740 -4.408 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.712 -8.913 -8.462 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.093 -9.031 -6.310 1.00 0.00 H new ATOM 313 N LEU A 32 -4.952 -8.048 -5.905 1.00 0.00 N ATOM 314 CA LEU A 32 -4.148 -8.724 -6.974 1.00 0.00 C ATOM 315 C LEU A 32 -4.023 -10.278 -6.727 1.00 0.00 C ATOM 316 O LEU A 32 -3.234 -10.683 -5.863 1.00 0.00 O ATOM 317 CB LEU A 32 -2.757 -8.020 -7.048 1.00 0.00 C ATOM 318 CG LEU A 32 -2.751 -6.621 -7.867 1.00 0.00 C ATOM 319 CD1 LEU A 32 -4.038 -5.764 -7.688 1.00 0.00 C ATOM 320 CD2 LEU A 32 -1.448 -5.772 -7.531 1.00 0.00 C ATOM 0 H LEU A 32 -4.409 -7.448 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.655 -8.628 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.405 -7.833 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.044 -8.701 -7.513 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.736 -6.901 -8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.948 -4.847 -8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.903 -6.330 -8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.165 -5.514 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.467 -4.838 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.422 -5.553 -6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.561 -6.343 -7.806 1.00 0.00 H new ATOM 332 N PRO A 33 -4.786 -11.175 -7.455 1.00 0.00 N ATOM 333 CA PRO A 33 -4.696 -12.691 -7.264 1.00 0.00 C ATOM 334 C PRO A 33 -3.371 -13.264 -7.825 1.00 0.00 C ATOM 335 O PRO A 33 -2.790 -12.668 -8.740 1.00 0.00 O ATOM 336 CB PRO A 33 -5.946 -13.270 -7.999 1.00 0.00 C ATOM 337 CG PRO A 33 -6.796 -12.064 -8.355 1.00 0.00 C ATOM 338 CD PRO A 33 -5.798 -10.898 -8.542 1.00 0.00 C ATOM 0 HA PRO A 33 -4.692 -12.966 -6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.656 -13.824 -8.892 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.493 -13.962 -7.359 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.368 -12.242 -9.266 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -7.515 -11.843 -7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.344 -10.904 -9.533 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.277 -9.927 -8.416 1.00 0.00 H new ATOM 393 N GLU A 37 4.063 -12.525 -2.209 1.00 0.00 N ATOM 394 CA GLU A 37 4.102 -11.845 -0.920 1.00 0.00 C ATOM 395 C GLU A 37 5.175 -10.760 -0.918 1.00 0.00 C ATOM 396 O GLU A 37 4.930 -9.633 -0.488 1.00 0.00 O ATOM 397 CB GLU A 37 4.381 -12.909 0.228 1.00 0.00 C ATOM 398 CG GLU A 37 4.353 -12.273 1.696 1.00 0.00 C ATOM 399 CD GLU A 37 4.595 -13.326 2.814 1.00 0.00 C ATOM 400 OE1 GLU A 37 4.514 -14.516 2.535 1.00 0.00 O ATOM 401 OE2 GLU A 37 4.861 -12.917 3.936 1.00 0.00 O ATOM 0 HA GLU A 37 3.140 -11.366 -0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.636 -13.702 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.353 -13.371 0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.114 -11.496 1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.389 -11.791 1.860 1.00 0.00 H new ATOM 408 N GLU A 38 6.363 -11.109 -1.400 1.00 0.00 N ATOM 409 CA GLU A 38 7.466 -10.156 -1.450 1.00 0.00 C ATOM 410 C GLU A 38 7.052 -8.894 -2.200 1.00 0.00 C ATOM 411 O GLU A 38 7.369 -7.780 -1.784 1.00 0.00 O ATOM 412 CB GLU A 38 8.721 -10.820 -2.149 1.00 0.00 C ATOM 413 CG GLU A 38 9.372 -11.975 -1.266 1.00 0.00 C ATOM 414 CD GLU A 38 8.614 -13.326 -1.335 1.00 0.00 C ATOM 415 OE1 GLU A 38 7.570 -13.394 -1.953 1.00 0.00 O ATOM 416 OE2 GLU A 38 9.126 -14.298 -0.797 1.00 0.00 O ATOM 0 H GLU A 38 6.586 -12.037 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 38 7.732 -9.877 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.421 -11.230 -3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.470 -10.053 -2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.401 -12.130 -1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.412 -11.645 -0.228 1.00 0.00 H new ATOM 423 N GLN A 39 6.342 -9.078 -3.308 1.00 0.00 N ATOM 424 CA GLN A 39 5.889 -7.947 -4.110 1.00 0.00 C ATOM 425 C GLN A 39 4.813 -7.162 -3.368 1.00 0.00 C ATOM 426 O GLN A 39 4.919 -5.946 -3.205 1.00 0.00 O ATOM 427 CB GLN A 39 5.350 -8.450 -5.513 1.00 0.00 C ATOM 428 CG GLN A 39 6.492 -9.110 -6.401 1.00 0.00 C ATOM 429 CD GLN A 39 7.617 -8.104 -6.752 1.00 0.00 C ATOM 430 OE1 GLN A 39 7.349 -7.014 -7.249 1.00 0.00 O ATOM 431 NE2 GLN A 39 8.865 -8.409 -6.505 1.00 0.00 N ATOM 0 H GLN A 39 6.069 -9.992 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 39 6.735 -7.282 -4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.553 -9.176 -5.354 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.913 -7.610 -6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.920 -9.959 -5.867 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.055 -9.499 -7.321 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.097 -9.312 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.606 -7.743 -6.725 1.00 0.00 H new ATOM 440 N ARG A 40 3.777 -7.864 -2.922 1.00 0.00 N ATOM 441 CA ARG A 40 2.685 -7.221 -2.198 1.00 0.00 C ATOM 442 C ARG A 40 3.232 -6.296 -1.115 1.00 0.00 C ATOM 443 O ARG A 40 2.875 -5.120 -1.051 1.00 0.00 O ATOM 444 CB ARG A 40 1.764 -8.360 -1.554 1.00 0.00 C ATOM 445 CG ARG A 40 0.483 -7.791 -0.802 1.00 0.00 C ATOM 446 CD ARG A 40 -0.435 -8.933 -0.217 1.00 0.00 C ATOM 447 NE ARG A 40 -1.041 -9.703 -1.333 1.00 0.00 N ATOM 448 CZ ARG A 40 -1.854 -10.767 -1.157 1.00 0.00 C ATOM 449 NH1 ARG A 40 -2.151 -11.200 0.042 1.00 0.00 N ATOM 450 NH2 ARG A 40 -2.348 -11.376 -2.201 1.00 0.00 N ATOM 0 H ARG A 40 3.670 -8.871 -3.047 1.00 0.00 H new ATOM 0 HA ARG A 40 2.094 -6.613 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.441 -9.042 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.359 -8.943 -0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.803 -7.136 0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.098 -7.181 -1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.152 -9.596 0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.217 -8.501 0.408 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.831 -9.411 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.767 -10.732 0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.767 -12.005 0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.119 -11.047 -3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.963 -12.181 -2.079 1.00 0.00 H new ATOM 464 N ASN A 41 4.101 -6.836 -0.266 1.00 0.00 N ATOM 465 CA ASN A 41 4.691 -6.048 0.811 1.00 0.00 C ATOM 466 C ASN A 41 5.365 -4.799 0.253 1.00 0.00 C ATOM 467 O ASN A 41 4.926 -3.679 0.510 1.00 0.00 O ATOM 468 CB ASN A 41 5.723 -6.946 1.603 1.00 0.00 C ATOM 469 CG ASN A 41 5.005 -7.991 2.503 1.00 0.00 C ATOM 470 OD1 ASN A 41 3.817 -7.862 2.814 1.00 0.00 O ATOM 471 ND2 ASN A 41 5.663 -9.026 2.942 1.00 0.00 N ATOM 0 H ASN A 41 4.410 -7.807 -0.302 1.00 0.00 H new ATOM 0 HA ASN A 41 3.908 -5.720 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.374 -7.461 0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.360 -6.311 2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.196 -9.714 3.533 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.645 -9.148 2.695 1.00 0.00 H new ATOM 478 N ALA A 42 6.434 -5.000 -0.511 1.00 0.00 N ATOM 479 CA ALA A 42 7.161 -3.882 -1.099 1.00 0.00 C ATOM 480 C ALA A 42 6.196 -2.783 -1.534 1.00 0.00 C ATOM 481 O ALA A 42 6.383 -1.612 -1.205 1.00 0.00 O ATOM 482 CB ALA A 42 8.008 -4.387 -2.325 1.00 0.00 C ATOM 0 H ALA A 42 6.813 -5.920 -0.736 1.00 0.00 H new ATOM 0 HA ALA A 42 7.833 -3.465 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.550 -3.549 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.718 -5.143 -1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.343 -4.819 -3.073 1.00 0.00 H new ATOM 488 N PHE A 43 5.162 -3.171 -2.275 1.00 0.00 N ATOM 489 CA PHE A 43 4.173 -2.210 -2.749 1.00 0.00 C ATOM 490 C PHE A 43 3.346 -1.673 -1.585 1.00 0.00 C ATOM 491 O PHE A 43 3.125 -0.468 -1.473 1.00 0.00 O ATOM 492 CB PHE A 43 3.240 -2.843 -3.858 1.00 0.00 C ATOM 493 CG PHE A 43 4.025 -3.137 -5.198 1.00 0.00 C ATOM 494 CD1 PHE A 43 4.720 -2.088 -5.883 1.00 0.00 C ATOM 495 CD2 PHE A 43 4.061 -4.435 -5.764 1.00 0.00 C ATOM 496 CE1 PHE A 43 5.413 -2.338 -7.067 1.00 0.00 C ATOM 497 CE2 PHE A 43 4.760 -4.661 -6.961 1.00 0.00 C ATOM 498 CZ PHE A 43 5.436 -3.615 -7.606 1.00 0.00 C ATOM 0 H PHE A 43 4.988 -4.135 -2.558 1.00 0.00 H new ATOM 0 HA PHE A 43 4.708 -1.377 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.807 -3.770 -3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.412 -2.165 -4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.707 -1.088 -5.476 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.551 -5.251 -5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.934 -1.534 -7.566 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.777 -5.652 -7.390 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.975 -3.804 -8.523 1.00 0.00 H new ATOM 508 N ILE A 44 2.894 -2.576 -0.722 1.00 0.00 N ATOM 509 CA ILE A 44 2.092 -2.181 0.432 1.00 0.00 C ATOM 510 C ILE A 44 2.880 -1.237 1.334 1.00 0.00 C ATOM 511 O ILE A 44 2.330 -0.283 1.882 1.00 0.00 O ATOM 512 CB ILE A 44 1.577 -3.472 1.270 1.00 0.00 C ATOM 513 CG1 ILE A 44 0.275 -4.148 0.578 1.00 0.00 C ATOM 514 CG2 ILE A 44 1.335 -3.186 2.824 1.00 0.00 C ATOM 515 CD1 ILE A 44 -0.421 -5.226 1.483 1.00 0.00 C ATOM 0 H ILE A 44 3.067 -3.578 -0.797 1.00 0.00 H new ATOM 0 HA ILE A 44 1.212 -1.656 0.059 1.00 0.00 H new ATOM 0 HB ILE A 44 2.397 -4.190 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.446 -3.367 0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.572 -4.611 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.992 -4.098 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.267 -2.857 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.580 -2.408 2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.284 -5.638 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.285 -6.026 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.748 -4.763 2.414 1.00 0.00 H new ATOM 527 N GLN A 45 4.172 -1.511 1.483 1.00 0.00 N ATOM 528 CA GLN A 45 5.027 -0.679 2.322 1.00 0.00 C ATOM 529 C GLN A 45 5.099 0.742 1.772 1.00 0.00 C ATOM 530 O GLN A 45 4.833 1.708 2.487 1.00 0.00 O ATOM 531 CB GLN A 45 6.489 -1.301 2.414 1.00 0.00 C ATOM 532 CG GLN A 45 6.539 -2.655 3.249 1.00 0.00 C ATOM 533 CD GLN A 45 7.963 -3.288 3.252 1.00 0.00 C ATOM 534 OE1 GLN A 45 8.916 -2.715 2.715 1.00 0.00 O ATOM 535 NE2 GLN A 45 8.159 -4.443 3.833 1.00 0.00 N ATOM 0 H GLN A 45 4.647 -2.296 1.038 1.00 0.00 H new ATOM 0 HA GLN A 45 4.595 -0.645 3.322 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.862 -1.488 1.407 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.159 -0.573 2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.227 -2.460 4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.827 -3.366 2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.381 -4.927 4.280 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.090 -4.860 3.839 1.00 0.00 H new ATOM 544 N SER A 46 5.457 0.861 0.498 1.00 0.00 N ATOM 545 CA SER A 46 5.559 2.169 -0.138 1.00 0.00 C ATOM 546 C SER A 46 4.297 2.988 0.115 1.00 0.00 C ATOM 547 O SER A 46 4.355 4.210 0.251 1.00 0.00 O ATOM 548 CB SER A 46 5.851 1.958 -1.640 1.00 0.00 C ATOM 549 OG SER A 46 4.803 1.209 -2.217 1.00 0.00 O ATOM 0 H SER A 46 5.680 0.074 -0.111 1.00 0.00 H new ATOM 0 HA SER A 46 6.379 2.745 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.945 2.920 -2.143 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.800 1.437 -1.768 1.00 0.00 H new ATOM 0 HG SER A 46 4.524 0.504 -1.596 1.00 0.00 H new ATOM 555 N LEU A 47 3.158 2.306 0.176 1.00 0.00 N ATOM 556 CA LEU A 47 1.887 2.981 0.413 1.00 0.00 C ATOM 557 C LEU A 47 1.832 3.538 1.832 1.00 0.00 C ATOM 558 O LEU A 47 0.948 4.326 2.166 1.00 0.00 O ATOM 559 CB LEU A 47 0.747 1.931 0.156 1.00 0.00 C ATOM 560 CG LEU A 47 0.504 1.696 -1.407 1.00 0.00 C ATOM 561 CD1 LEU A 47 -0.353 2.822 -2.045 1.00 0.00 C ATOM 562 CD2 LEU A 47 1.854 1.540 -2.180 1.00 0.00 C ATOM 0 H LEU A 47 3.089 1.294 0.066 1.00 0.00 H new ATOM 0 HA LEU A 47 1.765 3.831 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.009 0.985 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.177 2.275 0.621 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.055 0.764 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.490 2.617 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.326 2.861 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.154 3.779 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.651 1.382 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.451 2.444 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.403 0.686 -1.784 1.00 0.00 H new ATOM 574 N LYS A 48 2.782 3.121 2.662 1.00 0.00 N ATOM 575 CA LYS A 48 2.832 3.585 4.044 1.00 0.00 C ATOM 576 C LYS A 48 3.955 4.601 4.229 1.00 0.00 C ATOM 577 O LYS A 48 3.886 5.466 5.101 1.00 0.00 O ATOM 578 CB LYS A 48 3.084 2.322 4.982 1.00 0.00 C ATOM 579 CG LYS A 48 3.272 2.712 6.520 1.00 0.00 C ATOM 580 CD LYS A 48 3.533 1.446 7.451 1.00 0.00 C ATOM 581 CE LYS A 48 3.771 1.856 8.955 1.00 0.00 C ATOM 582 NZ LYS A 48 2.585 2.564 9.508 1.00 0.00 N ATOM 0 H LYS A 48 3.522 2.468 2.405 1.00 0.00 H new ATOM 0 HA LYS A 48 1.892 4.071 4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.244 1.634 4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.971 1.792 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.108 3.405 6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.382 3.236 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.680 0.770 7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.401 0.898 7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.978 0.966 9.550 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.649 2.499 9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.899 3.309 10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.042 2.992 8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.983 1.887 10.019 1.00 0.00 H new ATOM 596 N ASP A 49 5.093 4.411 3.519 1.00 0.00 N ATOM 597 CA ASP A 49 6.371 5.192 3.750 1.00 0.00 C ATOM 598 C ASP A 49 6.318 6.739 3.517 1.00 0.00 C ATOM 599 O ASP A 49 7.305 7.437 3.810 1.00 0.00 O ATOM 600 CB ASP A 49 7.535 4.548 2.881 1.00 0.00 C ATOM 601 CG ASP A 49 7.982 3.152 3.404 1.00 0.00 C ATOM 602 OD1 ASP A 49 7.556 2.754 4.483 1.00 0.00 O ATOM 603 OD2 ASP A 49 8.770 2.510 2.723 1.00 0.00 O ATOM 0 H ASP A 49 5.170 3.721 2.771 1.00 0.00 H new ATOM 0 HA ASP A 49 6.554 5.107 4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.200 4.453 1.848 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.393 5.220 2.877 1.00 0.00 H new ATOM 608 N ASP A 50 5.221 7.267 2.961 1.00 0.00 N ATOM 609 CA ASP A 50 5.086 8.739 2.651 1.00 0.00 C ATOM 610 C ASP A 50 5.188 9.673 3.938 1.00 0.00 C ATOM 611 O ASP A 50 5.890 10.677 3.903 1.00 0.00 O ATOM 612 CB ASP A 50 3.715 8.943 1.933 1.00 0.00 C ATOM 613 CG ASP A 50 3.701 8.348 0.499 1.00 0.00 C ATOM 614 OD1 ASP A 50 4.767 8.061 -0.037 1.00 0.00 O ATOM 615 OD2 ASP A 50 2.618 8.187 -0.034 1.00 0.00 O ATOM 0 H ASP A 50 4.401 6.716 2.708 1.00 0.00 H new ATOM 0 HA ASP A 50 5.920 9.036 2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.926 8.477 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.489 10.008 1.883 1.00 0.00 H new ATOM 620 N SER A 51 4.508 9.294 5.075 1.00 0.00 N ATOM 621 CA SER A 51 4.542 10.046 6.416 1.00 0.00 C ATOM 622 C SER A 51 4.177 8.980 7.548 1.00 0.00 C ATOM 623 O SER A 51 3.640 7.978 7.179 1.00 0.00 O ATOM 624 CB SER A 51 3.553 11.256 6.384 1.00 0.00 C ATOM 625 OG SER A 51 2.266 10.799 5.990 1.00 0.00 O ATOM 0 H SER A 51 3.918 8.463 5.103 1.00 0.00 H new ATOM 0 HA SER A 51 5.525 10.471 6.620 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.500 11.724 7.367 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.911 12.015 5.688 1.00 0.00 H new ATOM 0 HG SER A 51 1.642 11.555 5.970 1.00 0.00 H new ATOM 631 N TYR A 52 4.526 9.143 8.887 1.00 0.00 N ATOM 632 CA TYR A 52 4.289 8.023 9.930 1.00 0.00 C ATOM 633 C TYR A 52 3.439 8.305 11.296 1.00 0.00 C ATOM 634 O TYR A 52 3.796 9.286 11.966 1.00 0.00 O ATOM 635 CB TYR A 52 5.772 7.709 10.398 1.00 0.00 C ATOM 636 CG TYR A 52 6.640 7.162 9.213 1.00 0.00 C ATOM 637 CD1 TYR A 52 6.607 5.781 8.861 1.00 0.00 C ATOM 638 CD2 TYR A 52 7.479 8.037 8.457 1.00 0.00 C ATOM 639 CE1 TYR A 52 7.397 5.305 7.791 1.00 0.00 C ATOM 640 CE2 TYR A 52 8.257 7.542 7.394 1.00 0.00 C ATOM 641 CZ TYR A 52 8.218 6.185 7.066 1.00 0.00 C ATOM 642 OH TYR A 52 8.996 5.708 6.020 1.00 0.00 O ATOM 0 H TYR A 52 4.951 9.989 9.266 1.00 0.00 H new ATOM 0 HA TYR A 52 3.676 7.269 9.436 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.229 8.614 10.798 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.753 6.977 11.206 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.978 5.098 9.413 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.516 9.088 8.704 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.370 4.258 7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.887 8.214 6.830 1.00 0.00 H new ATOM 0 HH TYR A 52 8.682 6.095 5.176 1.00 0.00 H new ATOM 652 N ILE A 53 2.236 7.611 11.787 1.00 0.00 N ATOM 653 CA ILE A 53 1.707 8.244 12.924 1.00 0.00 C ATOM 654 C ILE A 53 1.125 7.245 13.883 1.00 0.00 C ATOM 655 O ILE A 53 0.170 6.538 13.575 1.00 0.00 O ATOM 656 CB ILE A 53 0.597 9.269 12.551 1.00 0.00 C ATOM 657 CG1 ILE A 53 0.049 9.994 13.797 1.00 0.00 C ATOM 658 CG2 ILE A 53 -0.522 8.607 11.740 1.00 0.00 C ATOM 659 CD1 ILE A 53 -0.821 11.199 13.459 1.00 0.00 C ATOM 0 H ILE A 53 1.775 6.779 11.419 1.00 0.00 H new ATOM 0 HA ILE A 53 2.538 8.769 13.395 1.00 0.00 H new ATOM 0 HB ILE A 53 1.053 10.029 11.916 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.533 9.290 14.392 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.885 10.320 14.416 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.282 9.349 11.495 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.109 8.193 10.820 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.972 7.807 12.327 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.174 11.663 14.380 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.236 11.922 12.890 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.676 10.875 12.865 1.00 0.00 H new ATOM 671 N ASP A 54 1.641 7.152 15.153 1.00 0.00 N ATOM 672 CA ASP A 54 1.144 6.214 16.124 1.00 0.00 C ATOM 673 C ASP A 54 -0.166 6.655 16.712 1.00 0.00 C ATOM 674 O ASP A 54 -0.283 6.979 17.895 1.00 0.00 O ATOM 675 CB ASP A 54 2.172 6.046 17.242 1.00 0.00 C ATOM 676 CG ASP A 54 1.503 5.458 18.480 1.00 0.00 C ATOM 677 OD1 ASP A 54 0.647 4.605 18.316 1.00 0.00 O ATOM 678 OD2 ASP A 54 1.856 5.870 19.574 1.00 0.00 O ATOM 0 H ASP A 54 2.405 7.735 15.494 1.00 0.00 H new ATOM 0 HA ASP A 54 0.978 5.265 15.615 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.979 5.393 16.910 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.620 7.010 17.483 1.00 0.00 H new ATOM 683 N THR A 55 -1.230 6.661 15.870 1.00 0.00 N ATOM 684 CA THR A 55 -2.577 7.018 16.298 1.00 0.00 C ATOM 685 C THR A 55 -3.121 6.425 17.556 1.00 0.00 C ATOM 686 O THR A 55 -3.734 7.106 18.376 1.00 0.00 O ATOM 687 CB THR A 55 -3.605 6.865 15.173 1.00 0.00 C ATOM 688 OG1 THR A 55 -3.898 5.488 14.984 1.00 0.00 O ATOM 689 CG2 THR A 55 -3.037 7.450 13.879 1.00 0.00 C ATOM 0 H THR A 55 -1.163 6.417 14.882 1.00 0.00 H new ATOM 0 HA THR A 55 -2.420 8.064 16.560 1.00 0.00 H new ATOM 0 HB THR A 55 -4.518 7.397 15.440 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.769 7.341 13.078 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.813 8.507 14.025 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.123 6.920 13.610 1.00 0.00 H new ATOM 697 N ASN A 56 -2.905 5.125 17.724 1.00 0.00 N ATOM 698 CA ASN A 56 -3.404 4.506 18.874 1.00 0.00 C ATOM 699 C ASN A 56 -2.573 4.499 20.146 1.00 0.00 C ATOM 700 O ASN A 56 -2.854 3.945 21.207 1.00 0.00 O ATOM 701 CB ASN A 56 -3.762 3.056 18.545 1.00 0.00 C ATOM 702 CG ASN A 56 -4.447 2.984 17.183 1.00 0.00 C ATOM 703 OD1 ASN A 56 -4.433 1.936 16.537 1.00 0.00 O ATOM 704 ND2 ASN A 56 -5.047 4.040 16.711 1.00 0.00 N ATOM 0 H ASN A 56 -2.397 4.520 17.078 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.248 5.148 19.127 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.861 2.442 18.541 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.420 2.652 19.314 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.508 4.001 15.802 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.056 4.906 17.250 1.00 0.00 H new ATOM 711 N ASN A 57 -1.463 5.280 19.998 1.00 0.00 N ATOM 712 CA ASN A 57 -0.507 5.493 21.132 1.00 0.00 C ATOM 713 C ASN A 57 -0.004 4.217 21.792 1.00 0.00 C ATOM 714 O ASN A 57 -0.005 4.188 23.025 1.00 0.00 O ATOM 715 CB ASN A 57 -1.197 6.423 22.133 1.00 0.00 C ATOM 716 CG ASN A 57 -0.171 7.345 22.781 1.00 0.00 C ATOM 717 OD1 ASN A 57 -0.202 7.554 23.994 1.00 0.00 O ATOM 718 ND2 ASN A 57 0.739 7.916 22.040 1.00 0.00 N ATOM 0 H ASN A 57 -1.211 5.760 19.134 1.00 0.00 H new ATOM 0 HA ASN A 57 0.404 5.941 20.735 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.960 7.014 21.627 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.704 5.835 22.898 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.427 8.537 22.465 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.762 7.741 21.035 1.00 0.00 H new ATOM 725 N ASP A 58 0.530 3.262 21.024 1.00 0.00 N ATOM 726 CA ASP A 58 1.024 2.085 21.670 1.00 0.00 C ATOM 727 C ASP A 58 2.514 1.814 21.440 1.00 0.00 C ATOM 728 O ASP A 58 3.042 0.758 21.792 1.00 0.00 O ATOM 729 CB ASP A 58 0.267 0.809 21.296 1.00 0.00 C ATOM 730 CG ASP A 58 0.256 0.635 19.781 1.00 0.00 C ATOM 731 OD1 ASP A 58 1.258 0.188 19.249 1.00 0.00 O ATOM 732 OD2 ASP A 58 -0.757 0.948 19.177 1.00 0.00 O ATOM 0 H ASP A 58 0.621 3.291 20.008 1.00 0.00 H new ATOM 0 HA ASP A 58 0.859 2.319 22.722 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.738 -0.054 21.766 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.755 0.859 21.672 1.00 0.00 H new ATOM 737 N GLY A 59 3.193 2.805 20.848 1.00 0.00 N ATOM 738 CA GLY A 59 4.597 2.572 20.607 1.00 0.00 C ATOM 739 C GLY A 59 4.989 1.912 19.300 1.00 0.00 C ATOM 740 O GLY A 59 6.164 1.685 19.022 1.00 0.00 O ATOM 0 H GLY A 59 2.818 3.706 20.551 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.111 3.532 20.665 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.979 1.956 21.421 1.00 0.00 H new ATOM 744 N ALA A 60 3.972 1.506 18.505 1.00 0.00 N ATOM 745 CA ALA A 60 4.184 0.836 17.283 1.00 0.00 C ATOM 746 C ALA A 60 3.356 1.425 16.142 1.00 0.00 C ATOM 747 O ALA A 60 2.367 2.106 16.415 1.00 0.00 O ATOM 748 CB ALA A 60 3.909 -0.668 17.332 1.00 0.00 C ATOM 0 H ALA A 60 2.988 1.654 18.731 1.00 0.00 H new ATOM 0 HA ALA A 60 5.248 0.985 17.097 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.097 -1.104 16.351 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.564 -1.134 18.068 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.870 -0.839 17.612 1.00 0.00 H new ATOM 754 N TYR A 61 3.746 1.201 14.882 1.00 0.00 N ATOM 755 CA TYR A 61 2.995 1.686 13.723 1.00 0.00 C ATOM 756 C TYR A 61 2.405 0.364 13.192 1.00 0.00 C ATOM 757 O TYR A 61 3.122 -0.514 12.712 1.00 0.00 O ATOM 758 CB TYR A 61 3.979 2.256 12.702 1.00 0.00 C ATOM 759 CG TYR A 61 4.745 3.400 13.323 1.00 0.00 C ATOM 760 CD1 TYR A 61 4.056 4.425 13.982 1.00 0.00 C ATOM 761 CD2 TYR A 61 6.142 3.437 13.238 1.00 0.00 C ATOM 762 CE1 TYR A 61 4.764 5.487 14.557 1.00 0.00 C ATOM 763 CE2 TYR A 61 6.850 4.496 13.815 1.00 0.00 C ATOM 764 CZ TYR A 61 6.162 5.522 14.475 1.00 0.00 C ATOM 765 OH TYR A 61 6.861 6.567 15.043 1.00 0.00 O ATOM 0 H TYR A 61 4.589 0.680 14.640 1.00 0.00 H new ATOM 0 HA TYR A 61 2.259 2.462 13.933 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.669 1.479 12.373 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.443 2.601 11.818 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.978 4.396 14.047 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.673 2.648 12.727 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.233 6.279 15.064 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.928 4.523 13.752 1.00 0.00 H new ATOM 0 HH TYR A 61 7.821 6.436 14.896 1.00 0.00 H new ATOM 775 N GLU A 62 1.043 0.308 13.216 1.00 0.00 N ATOM 776 CA GLU A 62 0.416 -0.926 12.746 1.00 0.00 C ATOM 777 C GLU A 62 -1.004 -0.712 12.203 1.00 0.00 C ATOM 778 O GLU A 62 -1.613 0.348 12.345 1.00 0.00 O ATOM 779 CB GLU A 62 0.330 -1.917 13.908 1.00 0.00 C ATOM 780 CG GLU A 62 -0.840 -1.538 14.816 1.00 0.00 C ATOM 781 CD GLU A 62 -0.940 -0.022 14.932 1.00 0.00 C ATOM 782 OE1 GLU A 62 -0.031 0.571 15.492 1.00 0.00 O ATOM 783 OE2 GLU A 62 -1.924 0.527 14.459 1.00 0.00 O ATOM 0 H GLU A 62 0.415 1.047 13.532 1.00 0.00 H new ATOM 0 HA GLU A 62 1.035 -1.302 11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.195 -2.929 13.527 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.261 -1.911 14.475 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.769 -1.942 14.414 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.702 -1.978 15.804 1.00 0.00 H new ATOM 790 N GLY A 63 -1.534 -1.750 11.592 1.00 0.00 N ATOM 791 CA GLY A 63 -2.846 -1.736 11.027 1.00 0.00 C ATOM 792 C GLY A 63 -3.336 -0.498 10.314 1.00 0.00 C ATOM 793 O GLY A 63 -2.726 -0.082 9.330 1.00 0.00 O ATOM 0 H GLY A 63 -1.047 -2.639 11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.907 -2.565 10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.550 -1.950 11.831 1.00 0.00 H new ATOM 797 N ASP A 64 -4.425 0.082 10.831 1.00 0.00 N ATOM 798 CA ASP A 64 -4.988 1.285 10.177 1.00 0.00 C ATOM 799 C ASP A 64 -4.019 2.466 10.212 1.00 0.00 C ATOM 800 O ASP A 64 -4.272 3.415 9.473 1.00 0.00 O ATOM 801 CB ASP A 64 -6.289 1.677 10.879 1.00 0.00 C ATOM 802 CG ASP A 64 -6.802 3.002 10.321 1.00 0.00 C ATOM 803 OD1 ASP A 64 -6.766 3.168 9.113 1.00 0.00 O ATOM 804 OD2 ASP A 64 -7.223 3.830 11.111 1.00 0.00 O ATOM 0 H ASP A 64 -4.921 -0.238 11.663 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.173 1.040 9.131 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.038 0.898 10.737 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.121 1.765 11.952 1.00 0.00 H new ATOM 809 N GLU A 65 -2.931 2.333 10.929 1.00 0.00 N ATOM 810 CA GLU A 65 -1.992 3.409 10.924 1.00 0.00 C ATOM 811 C GLU A 65 -1.088 3.320 9.677 1.00 0.00 C ATOM 812 O GLU A 65 -0.274 4.203 9.385 1.00 0.00 O ATOM 813 CB GLU A 65 -1.108 3.238 12.185 1.00 0.00 C ATOM 814 CG GLU A 65 -1.712 4.094 13.360 1.00 0.00 C ATOM 815 CD GLU A 65 -2.715 3.389 14.307 1.00 0.00 C ATOM 816 OE1 GLU A 65 -2.569 2.233 14.558 1.00 0.00 O ATOM 817 OE2 GLU A 65 -3.596 4.071 14.819 1.00 0.00 O ATOM 0 H GLU A 65 -2.686 1.524 11.499 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.511 4.367 10.915 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.061 2.187 12.471 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.087 3.557 11.974 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.886 4.470 13.963 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.210 4.961 12.925 1.00 0.00 H new ATOM 824 N LEU A 66 -1.217 2.145 8.931 1.00 0.00 N ATOM 825 CA LEU A 66 -0.331 1.825 7.780 1.00 0.00 C ATOM 826 C LEU A 66 -0.562 2.553 6.339 1.00 0.00 C ATOM 827 O LEU A 66 0.203 2.273 5.464 1.00 0.00 O ATOM 828 CB LEU A 66 -0.171 0.227 7.652 1.00 0.00 C ATOM 829 CG LEU A 66 -0.885 -0.414 6.375 1.00 0.00 C ATOM 830 CD1 LEU A 66 -0.414 -1.889 6.106 1.00 0.00 C ATOM 831 CD2 LEU A 66 -2.460 -0.323 6.485 1.00 0.00 C ATOM 0 H LEU A 66 -1.921 1.432 9.122 1.00 0.00 H new ATOM 0 HA LEU A 66 0.605 2.310 8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.891 -0.017 7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.577 -0.238 8.550 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.577 0.178 5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.928 -2.281 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.662 -1.901 5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.649 -2.509 6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.913 -0.768 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.794 -0.860 7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.760 0.722 6.559 1.00 0.00 H new ATOM 843 N SER A 67 -1.590 3.438 6.057 1.00 0.00 N ATOM 844 CA SER A 67 -1.806 4.089 4.637 1.00 0.00 C ATOM 845 C SER A 67 -0.974 5.432 4.342 1.00 0.00 C ATOM 846 O SER A 67 -0.627 6.145 5.267 1.00 0.00 O ATOM 847 CB SER A 67 -3.329 4.356 4.503 1.00 0.00 C ATOM 848 OG SER A 67 -4.027 3.174 4.130 1.00 0.00 O ATOM 0 H SER A 67 -2.279 3.730 6.750 1.00 0.00 H new ATOM 0 HA SER A 67 -1.422 3.389 3.895 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.720 4.729 5.449 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.501 5.133 3.758 1.00 0.00 H new ATOM 0 HG SER A 67 -4.984 3.370 4.054 1.00 0.00 H new ATOM 889 N SER A 71 -0.088 7.395 -3.459 1.00 0.00 N ATOM 890 CA SER A 71 -0.551 6.059 -3.868 1.00 0.00 C ATOM 891 C SER A 71 -0.818 5.849 -5.346 1.00 0.00 C ATOM 892 O SER A 71 -0.773 4.704 -5.805 1.00 0.00 O ATOM 893 CB SER A 71 -1.809 5.714 -3.081 1.00 0.00 C ATOM 894 OG SER A 71 -2.826 6.659 -3.374 1.00 0.00 O ATOM 0 HA SER A 71 0.287 5.397 -3.648 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.147 4.710 -3.337 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.594 5.715 -2.012 1.00 0.00 H new ATOM 0 HG SER A 71 -2.416 7.515 -3.618 1.00 0.00 H new ATOM 900 N ALA A 72 -1.228 6.908 -6.065 1.00 0.00 N ATOM 901 CA ALA A 72 -1.647 6.759 -7.474 1.00 0.00 C ATOM 902 C ALA A 72 -0.520 6.100 -8.316 1.00 0.00 C ATOM 903 O ALA A 72 -0.796 5.223 -9.165 1.00 0.00 O ATOM 904 CB ALA A 72 -1.988 8.177 -8.071 1.00 0.00 C ATOM 0 H ALA A 72 -1.279 7.861 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.528 6.118 -7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.297 8.069 -9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.797 8.629 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.106 8.815 -8.019 1.00 0.00 H new ATOM 910 N ASN A 73 0.725 6.557 -8.122 1.00 0.00 N ATOM 911 CA ASN A 73 1.864 6.055 -8.880 1.00 0.00 C ATOM 912 C ASN A 73 2.123 4.588 -8.549 1.00 0.00 C ATOM 913 O ASN A 73 2.298 3.761 -9.444 1.00 0.00 O ATOM 914 CB ASN A 73 3.129 6.938 -8.556 1.00 0.00 C ATOM 915 CG ASN A 73 3.070 8.310 -9.287 1.00 0.00 C ATOM 916 OD1 ASN A 73 2.319 8.494 -10.252 1.00 0.00 O ATOM 917 ND2 ASN A 73 3.823 9.293 -8.877 1.00 0.00 N ATOM 0 H ASN A 73 0.963 7.278 -7.441 1.00 0.00 H new ATOM 0 HA ASN A 73 1.648 6.119 -9.947 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.195 7.100 -7.480 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.032 6.405 -8.853 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.786 10.195 -9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.449 9.159 -8.082 1.00 0.00 H new ATOM 924 N LEU A 74 2.147 4.274 -7.258 1.00 0.00 N ATOM 925 CA LEU A 74 2.385 2.903 -6.820 1.00 0.00 C ATOM 926 C LEU A 74 1.299 1.975 -7.353 1.00 0.00 C ATOM 927 O LEU A 74 1.586 0.874 -7.823 1.00 0.00 O ATOM 928 CB LEU A 74 2.451 2.846 -5.270 1.00 0.00 C ATOM 929 CG LEU A 74 3.886 3.297 -4.671 1.00 0.00 C ATOM 930 CD1 LEU A 74 5.029 2.262 -5.022 1.00 0.00 C ATOM 931 CD2 LEU A 74 4.293 4.758 -5.101 1.00 0.00 C ATOM 0 H LEU A 74 2.006 4.944 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 74 3.341 2.565 -7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.674 3.490 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.231 1.830 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 74 3.767 3.305 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.973 2.606 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.778 1.287 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.124 2.179 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.263 5.007 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.353 4.814 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.545 5.465 -4.742 1.00 0.00 H new ATOM 943 N LEU A 75 0.052 2.426 -7.276 1.00 0.00 N ATOM 944 CA LEU A 75 -1.071 1.627 -7.754 1.00 0.00 C ATOM 945 C LEU A 75 -0.883 1.266 -9.223 1.00 0.00 C ATOM 946 O LEU A 75 -0.927 0.094 -9.595 1.00 0.00 O ATOM 947 CB LEU A 75 -2.410 2.446 -7.616 1.00 0.00 C ATOM 948 CG LEU A 75 -3.649 1.803 -8.431 1.00 0.00 C ATOM 949 CD1 LEU A 75 -3.998 0.367 -7.969 1.00 0.00 C ATOM 950 CD2 LEU A 75 -4.941 2.738 -8.353 1.00 0.00 C ATOM 0 H LEU A 75 -0.206 3.334 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.118 0.718 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.677 2.515 -6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.242 3.463 -7.970 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.322 1.735 -9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.837 -0.009 -8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.134 -0.282 -8.114 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.268 0.380 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.757 2.278 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.238 2.862 -7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.711 3.713 -8.783 1.00 0.00 H new ATOM 962 N ALA A 76 -0.674 2.282 -10.055 1.00 0.00 N ATOM 963 CA ALA A 76 -0.481 2.060 -11.484 1.00 0.00 C ATOM 964 C ALA A 76 0.712 1.140 -11.726 1.00 0.00 C ATOM 965 O ALA A 76 0.741 0.388 -12.701 1.00 0.00 O ATOM 966 CB ALA A 76 -0.263 3.437 -12.203 1.00 0.00 C ATOM 0 H ALA A 76 -0.634 3.260 -9.767 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.370 1.579 -11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.119 3.271 -13.271 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.137 4.070 -12.049 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.618 3.928 -11.790 1.00 0.00 H new ATOM 972 N GLU A 77 1.694 1.204 -10.833 1.00 0.00 N ATOM 973 CA GLU A 77 2.884 0.372 -10.960 1.00 0.00 C ATOM 974 C GLU A 77 2.571 -1.072 -10.581 1.00 0.00 C ATOM 975 O GLU A 77 2.746 -1.987 -11.386 1.00 0.00 O ATOM 976 CB GLU A 77 4.076 0.965 -10.083 1.00 0.00 C ATOM 977 CG GLU A 77 5.454 0.176 -10.292 1.00 0.00 C ATOM 978 CD GLU A 77 6.614 0.789 -9.460 1.00 0.00 C ATOM 979 OE1 GLU A 77 6.417 1.044 -8.277 1.00 0.00 O ATOM 980 OE2 GLU A 77 7.680 0.988 -10.020 1.00 0.00 O ATOM 0 H GLU A 77 1.690 1.819 -10.019 1.00 0.00 H new ATOM 0 HA GLU A 77 3.206 0.377 -12.001 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.221 2.015 -10.339 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.798 0.929 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.319 -0.868 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.721 0.189 -11.349 1.00 0.00 H new ATOM 987 N ALA A 78 2.108 -1.269 -9.351 1.00 0.00 N ATOM 988 CA ALA A 78 1.773 -2.607 -8.877 1.00 0.00 C ATOM 989 C ALA A 78 0.815 -3.294 -9.844 1.00 0.00 C ATOM 990 O ALA A 78 0.922 -4.495 -10.091 1.00 0.00 O ATOM 991 CB ALA A 78 1.130 -2.510 -7.464 1.00 0.00 C ATOM 0 H ALA A 78 1.957 -0.526 -8.669 1.00 0.00 H new ATOM 0 HA ALA A 78 2.685 -3.201 -8.820 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.879 -3.510 -7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.835 -2.046 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.224 -1.906 -7.517 1.00 0.00 H new ATOM 997 N LYS A 79 -0.121 -2.523 -10.391 1.00 0.00 N ATOM 998 CA LYS A 79 -1.092 -3.069 -11.330 1.00 0.00 C ATOM 999 C LYS A 79 -0.410 -3.465 -12.636 1.00 0.00 C ATOM 1000 O LYS A 79 -0.790 -4.448 -13.272 1.00 0.00 O ATOM 1001 CB LYS A 79 -2.232 -1.990 -11.596 1.00 0.00 C ATOM 1002 CG LYS A 79 -3.434 -2.533 -12.516 1.00 0.00 C ATOM 1003 CD LYS A 79 -4.581 -1.441 -12.720 1.00 0.00 C ATOM 1004 CE LYS A 79 -5.768 -1.976 -13.617 1.00 0.00 C ATOM 1005 NZ LYS A 79 -6.635 -2.895 -12.822 1.00 0.00 N ATOM 0 H LYS A 79 -0.226 -1.526 -10.201 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.541 -3.965 -10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.638 -1.661 -10.640 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.788 -1.116 -12.072 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.040 -2.829 -13.488 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.862 -3.426 -12.061 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.971 -1.141 -11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.154 -0.550 -13.181 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.358 -1.139 -13.991 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.370 -2.499 -14.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.413 -3.242 -13.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.070 -3.701 -12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.027 -2.383 -12.006 1.00 0.00 H new ATOM 1019 N LYS A 80 0.597 -2.693 -13.029 1.00 0.00 N ATOM 1020 CA LYS A 80 1.325 -2.973 -14.261 1.00 0.00 C ATOM 1021 C LYS A 80 2.083 -4.291 -14.148 1.00 0.00 C ATOM 1022 O LYS A 80 2.186 -5.045 -15.115 1.00 0.00 O ATOM 1023 CB LYS A 80 2.338 -1.796 -14.624 1.00 0.00 C ATOM 1024 CG LYS A 80 3.066 -2.018 -16.044 1.00 0.00 C ATOM 1025 CD LYS A 80 4.033 -0.809 -16.437 1.00 0.00 C ATOM 1026 CE LYS A 80 4.725 -1.029 -17.842 1.00 0.00 C ATOM 1027 NZ LYS A 80 5.608 0.133 -18.160 1.00 0.00 N ATOM 0 H LYS A 80 0.926 -1.874 -12.517 1.00 0.00 H new ATOM 0 HA LYS A 80 0.591 -3.049 -15.063 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.798 -0.850 -14.641 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.093 -1.718 -13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.642 -2.943 -16.012 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.310 -2.140 -16.820 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.462 0.119 -16.457 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.799 -0.695 -15.670 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.310 -1.949 -17.829 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.967 -1.144 -18.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.060 -0.017 -19.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.039 1.003 -18.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.340 0.223 -17.427 1.00 0.00 H new ATOM 1041 N LEU A 81 2.612 -4.564 -12.958 1.00 0.00 N ATOM 1042 CA LEU A 81 3.358 -5.795 -12.729 1.00 0.00 C ATOM 1043 C LEU A 81 2.410 -6.986 -12.634 1.00 0.00 C ATOM 1044 O LEU A 81 2.450 -7.892 -13.466 1.00 0.00 O ATOM 1045 CB LEU A 81 4.257 -5.695 -11.418 1.00 0.00 C ATOM 1046 CG LEU A 81 5.250 -6.976 -11.254 1.00 0.00 C ATOM 1047 CD1 LEU A 81 6.320 -7.067 -12.425 1.00 0.00 C ATOM 1048 CD2 LEU A 81 5.973 -6.983 -9.863 1.00 0.00 C ATOM 0 H LEU A 81 2.538 -3.954 -12.144 1.00 0.00 H new ATOM 0 HA LEU A 81 4.023 -5.943 -13.580 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.849 -4.781 -11.454 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.612 -5.623 -10.542 1.00 0.00 H new ATOM 0 HG LEU A 81 4.611 -7.857 -11.314 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.957 -7.938 -12.269 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.806 -7.161 -13.381 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.932 -6.165 -12.429 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.625 -7.854 -9.796 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.568 -6.076 -9.757 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.230 -7.024 -9.067 1.00 0.00 H new ATOM 1060 N ASN A 82 1.559 -6.978 -11.614 1.00 0.00 N ATOM 1061 CA ASN A 82 0.604 -8.063 -11.420 1.00 0.00 C ATOM 1062 C ASN A 82 -0.005 -8.486 -12.753 1.00 0.00 C ATOM 1063 O ASN A 82 -0.432 -9.629 -12.917 1.00 0.00 O ATOM 1064 CB ASN A 82 -0.522 -7.620 -10.474 1.00 0.00 C ATOM 1065 CG ASN A 82 -1.594 -8.728 -10.315 1.00 0.00 C ATOM 1066 OD1 ASN A 82 -1.286 -9.842 -9.878 1.00 0.00 O ATOM 1067 ND2 ASN A 82 -2.832 -8.486 -10.669 1.00 0.00 N ATOM 0 H ASN A 82 1.511 -6.238 -10.913 1.00 0.00 H new ATOM 0 HA ASN A 82 1.138 -8.907 -10.983 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.104 -7.373 -9.498 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -0.988 -6.713 -10.860 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.539 -9.216 -10.584 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -3.089 -7.567 -11.030 1.00 0.00 H new ATOM 1074 N ASP A 83 -0.040 -7.557 -13.703 1.00 0.00 N ATOM 1075 CA ASP A 83 -0.599 -7.846 -15.019 1.00 0.00 C ATOM 1076 C ASP A 83 0.487 -8.351 -15.962 1.00 0.00 C ATOM 1077 O ASP A 83 0.240 -9.221 -16.799 1.00 0.00 O ATOM 1078 CB ASP A 83 -1.275 -6.547 -15.605 1.00 0.00 C ATOM 1079 CG ASP A 83 -2.578 -6.170 -14.839 1.00 0.00 C ATOM 1080 OD1 ASP A 83 -3.026 -6.946 -14.000 1.00 0.00 O ATOM 1081 OD2 ASP A 83 -3.101 -5.099 -15.100 1.00 0.00 O ATOM 0 H ASP A 83 0.309 -6.605 -13.588 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.353 -8.627 -14.920 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.571 -5.717 -15.552 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.506 -6.703 -16.659 1.00 0.00 H new ATOM 1086 N ALA A 84 1.689 -7.802 -15.822 1.00 0.00 N ATOM 1087 CA ALA A 84 2.806 -8.207 -16.668 1.00 0.00 C ATOM 1088 C ALA A 84 3.393 -9.529 -16.186 1.00 0.00 C ATOM 1089 O ALA A 84 3.957 -10.292 -16.969 1.00 0.00 O ATOM 1090 CB ALA A 84 3.920 -7.103 -16.687 1.00 0.00 C ATOM 0 H ALA A 84 1.914 -7.081 -15.136 1.00 0.00 H new ATOM 0 HA ALA A 84 2.428 -8.338 -17.682 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.743 -7.427 -17.324 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.504 -6.173 -17.076 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.288 -6.940 -15.674 1.00 0.00 H new ATOM 1096 N GLN A 85 3.254 -9.793 -14.890 1.00 0.00 N ATOM 1097 CA GLN A 85 3.775 -11.028 -14.313 1.00 0.00 C ATOM 1098 C GLN A 85 2.647 -12.028 -14.083 1.00 0.00 C ATOM 1099 O GLN A 85 2.747 -12.903 -13.222 1.00 0.00 O ATOM 1100 CB GLN A 85 4.530 -10.659 -12.956 1.00 0.00 C ATOM 1101 CG GLN A 85 5.286 -11.886 -12.261 1.00 0.00 C ATOM 1102 CD GLN A 85 6.445 -12.426 -13.142 1.00 0.00 C ATOM 1103 OE1 GLN A 85 7.177 -11.650 -13.761 1.00 0.00 O ATOM 1104 NE2 GLN A 85 6.639 -13.714 -13.247 1.00 0.00 N ATOM 0 H GLN A 85 2.790 -9.175 -14.225 1.00 0.00 H new ATOM 0 HA GLN A 85 4.479 -11.504 -14.996 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.255 -9.872 -13.161 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.806 -10.250 -12.252 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.681 -11.569 -11.296 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.574 -12.688 -12.066 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.039 -14.363 -12.739 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.391 -14.070 -13.837 1.00 0.00 H new ATOM 1113 N ALA A 86 1.575 -11.892 -14.856 1.00 0.00 N ATOM 1114 CA ALA A 86 0.433 -12.790 -14.727 1.00 0.00 C ATOM 1115 C ALA A 86 0.460 -13.851 -15.823 1.00 0.00 C ATOM 1116 O ALA A 86 1.160 -13.709 -16.825 1.00 0.00 O ATOM 1117 CB ALA A 86 -0.911 -11.998 -14.817 1.00 0.00 C ATOM 0 H ALA A 86 1.473 -11.174 -15.573 1.00 0.00 H new ATOM 0 HA ALA A 86 0.500 -13.272 -13.752 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.748 -12.689 -14.718 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.953 -11.260 -14.016 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.971 -11.491 -15.780 1.00 0.00 H new ATOM 1123 N PRO A 87 -0.285 -14.998 -15.685 1.00 0.00 N ATOM 1124 CA PRO A 87 -0.279 -16.097 -16.753 1.00 0.00 C ATOM 1125 C PRO A 87 -0.817 -15.593 -18.109 1.00 0.00 C ATOM 1126 O PRO A 87 -1.713 -14.748 -18.125 1.00 0.00 O ATOM 1127 CB PRO A 87 -1.180 -17.231 -16.156 1.00 0.00 C ATOM 1128 CG PRO A 87 -1.266 -16.931 -14.669 1.00 0.00 C ATOM 1129 CD PRO A 87 -1.194 -15.391 -14.545 1.00 0.00 C ATOM 0 HA PRO A 87 0.731 -16.445 -16.970 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.168 -17.231 -16.615 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.745 -18.214 -16.335 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.194 -17.314 -14.246 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.448 -17.406 -14.126 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.179 -14.933 -14.638 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.789 -15.083 -13.581 1.00 0.00 H new ATOM 1137 N LYS A 88 -0.256 -16.124 -19.232 1.00 0.00 N ATOM 1138 CA LYS A 88 -0.661 -15.748 -20.620 1.00 0.00 C ATOM 1139 C LYS A 88 -0.552 -14.202 -20.816 1.00 0.00 C ATOM 1140 O LYS A 88 0.525 -13.735 -21.158 1.00 0.00 O ATOM 1141 CB LYS A 88 -2.139 -16.272 -20.927 1.00 0.00 C ATOM 1142 CG LYS A 88 -2.222 -17.864 -20.963 1.00 0.00 C ATOM 1143 CD LYS A 88 -3.713 -18.381 -21.237 1.00 0.00 C ATOM 1144 CE LYS A 88 -3.800 -19.956 -21.278 1.00 0.00 C ATOM 1145 NZ LYS A 88 -5.212 -20.381 -21.521 1.00 0.00 N ATOM 1146 OXT LYS A 88 -1.545 -13.518 -20.607 1.00 0.00 O ATOM 0 H LYS A 88 0.487 -16.822 -19.202 1.00 0.00 H new ATOM 0 HA LYS A 88 0.016 -16.224 -21.329 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.822 -15.892 -20.167 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.473 -15.871 -21.884 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.558 -18.244 -21.739 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.867 -18.267 -20.015 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.376 -18.002 -20.459 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.068 -17.974 -22.184 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.154 -20.344 -22.065 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.442 -20.373 -20.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.262 -21.419 -21.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.819 -20.024 -20.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.539 -19.996 -22.430 1.00 0.00 H new