USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 515 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 GLN : amide:sc= 1.03 K(o=2.2,f=-9.3!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -142:sc= 1.14 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.555 X(o=-0.56,f=-0.081) USER MOD Single : A 17 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.078) USER MOD Single : A 20 MET CE :methyl -135:sc= 0 (180deg=-0.592) USER MOD Single : A 24 SER OG : rot 180:sc= -0.278 USER MOD Single : A 25 LYS NZ :NH3+ -122:sc= 0.28 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -144:sc= -0.443 (180deg=-1.78!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 41 GLN : amide:sc= -1.01 K(o=-1,f=-1.9) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -161:sc= -1.51 (180deg=-2.16) USER MOD Single : A 50 MET CE :methyl -115:sc= -0.447 (180deg=-1.34) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -170:sc= -0.177 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.3) USER MOD Single : A 79 MET CE :methyl -136:sc= -2.78! (180deg=-6.78!) USER MOD ----------------------------------------------------------------- ATOM 131 N ASN A 14 4.179 9.964 11.291 1.00 0.00 N ATOM 132 CA ASN A 14 3.596 8.842 10.565 1.00 0.00 C ATOM 133 C ASN A 14 4.221 8.707 9.180 1.00 0.00 C ATOM 134 O ASN A 14 4.291 9.674 8.422 1.00 0.00 O ATOM 135 CB ASN A 14 2.082 9.021 10.438 1.00 0.00 C ATOM 136 CG ASN A 14 1.347 7.696 10.363 1.00 0.00 C ATOM 137 OD1 ASN A 14 1.423 6.879 11.281 1.00 0.00 O ATOM 138 ND2 ASN A 14 0.632 7.478 9.266 1.00 0.00 N ATOM 0 HA ASN A 14 3.802 7.931 11.128 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.713 9.590 11.291 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.862 9.607 9.545 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.116 6.604 9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.598 8.184 8.531 1.00 0.00 H new ATOM 145 N ALA A 15 4.673 7.500 8.855 1.00 0.00 N ATOM 146 CA ALA A 15 5.289 7.237 7.561 1.00 0.00 C ATOM 147 C ALA A 15 4.237 6.893 6.512 1.00 0.00 C ATOM 148 O ALA A 15 3.298 6.144 6.782 1.00 0.00 O ATOM 149 CB ALA A 15 6.307 6.112 7.679 1.00 0.00 C ATOM 0 H ALA A 15 4.624 6.689 9.471 1.00 0.00 H new ATOM 0 HA ALA A 15 5.802 8.144 7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.759 5.927 6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.082 6.396 8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.810 5.206 8.027 1.00 0.00 H new ATOM 155 N VAL A 16 4.400 7.446 5.313 1.00 0.00 N ATOM 156 CA VAL A 16 3.464 7.197 4.223 1.00 0.00 C ATOM 157 C VAL A 16 4.202 6.930 2.916 1.00 0.00 C ATOM 158 O VAL A 16 5.247 7.523 2.650 1.00 0.00 O ATOM 159 CB VAL A 16 2.505 8.385 4.025 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.202 9.517 3.287 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.255 7.941 3.279 1.00 0.00 C ATOM 0 H VAL A 16 5.171 8.069 5.073 1.00 0.00 H new ATOM 0 HA VAL A 16 2.886 6.315 4.497 1.00 0.00 H new ATOM 0 HB VAL A 16 2.204 8.754 5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.508 10.348 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.064 9.851 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.534 9.165 2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.588 8.793 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.535 7.545 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.745 7.166 3.852 1.00 0.00 H new ATOM 171 N GLN A 17 3.651 6.034 2.104 1.00 0.00 N ATOM 172 CA GLN A 17 4.257 5.688 0.824 1.00 0.00 C ATOM 173 C GLN A 17 3.190 5.476 -0.245 1.00 0.00 C ATOM 174 O GLN A 17 2.278 4.668 -0.072 1.00 0.00 O ATOM 175 CB GLN A 17 5.112 4.428 0.964 1.00 0.00 C ATOM 176 CG GLN A 17 6.532 4.704 1.433 1.00 0.00 C ATOM 177 CD GLN A 17 7.368 5.405 0.380 1.00 0.00 C ATOM 178 OE1 GLN A 17 7.951 4.763 -0.494 1.00 0.00 O ATOM 179 NE2 GLN A 17 7.430 6.729 0.458 1.00 0.00 N ATOM 0 H GLN A 17 2.786 5.534 2.310 1.00 0.00 H new ATOM 0 HA GLN A 17 4.893 6.518 0.517 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.631 3.749 1.669 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.149 3.916 0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.500 5.317 2.334 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.010 3.763 1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.931 7.220 1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.977 7.255 -0.224 1.00 0.00 H new ATOM 188 N GLU A 18 3.311 6.208 -1.348 1.00 0.00 N ATOM 189 CA GLU A 18 2.354 6.101 -2.444 1.00 0.00 C ATOM 190 C GLU A 18 2.928 5.266 -3.586 1.00 0.00 C ATOM 191 O GLU A 18 4.104 5.390 -3.929 1.00 0.00 O ATOM 192 CB GLU A 18 1.972 7.491 -2.955 1.00 0.00 C ATOM 193 CG GLU A 18 1.174 8.310 -1.954 1.00 0.00 C ATOM 194 CD GLU A 18 0.941 9.734 -2.419 1.00 0.00 C ATOM 195 OE1 GLU A 18 0.611 9.922 -3.609 1.00 0.00 O ATOM 196 OE2 GLU A 18 1.089 10.660 -1.595 1.00 0.00 O ATOM 0 H GLU A 18 4.061 6.881 -1.507 1.00 0.00 H new ATOM 0 HA GLU A 18 1.461 5.604 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.880 8.035 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.390 7.385 -3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.213 7.827 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.701 8.325 -1.000 1.00 0.00 H new ATOM 203 N ILE A 19 2.089 4.417 -4.169 1.00 0.00 N ATOM 204 CA ILE A 19 2.511 3.563 -5.272 1.00 0.00 C ATOM 205 C ILE A 19 1.456 3.525 -6.373 1.00 0.00 C ATOM 206 O ILE A 19 0.303 3.896 -6.155 1.00 0.00 O ATOM 207 CB ILE A 19 2.792 2.126 -4.796 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.931 1.792 -3.576 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.269 1.955 -4.472 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.532 2.256 -2.267 1.00 0.00 C ATOM 0 H ILE A 19 1.113 4.302 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 19 3.431 3.992 -5.669 1.00 0.00 H new ATOM 0 HB ILE A 19 2.534 1.436 -5.599 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.949 2.249 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.777 0.714 -3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.452 0.934 -4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.863 2.156 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.552 2.652 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.868 1.986 -1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.501 1.779 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.660 3.338 -2.289 1.00 0.00 H new ATOM 222 N MET A 20 1.859 3.071 -7.555 1.00 0.00 N ATOM 223 CA MET A 20 0.947 2.981 -8.690 1.00 0.00 C ATOM 224 C MET A 20 0.378 1.571 -8.819 1.00 0.00 C ATOM 225 O MET A 20 1.123 0.603 -8.970 1.00 0.00 O ATOM 226 CB MET A 20 1.666 3.374 -9.982 1.00 0.00 C ATOM 227 CG MET A 20 2.339 4.735 -9.912 1.00 0.00 C ATOM 228 SD MET A 20 1.204 6.048 -9.424 1.00 0.00 S ATOM 229 CE MET A 20 0.264 6.261 -10.933 1.00 0.00 C ATOM 0 H MET A 20 2.810 2.760 -7.752 1.00 0.00 H new ATOM 0 HA MET A 20 0.122 3.672 -8.518 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.416 2.618 -10.215 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.948 3.374 -10.802 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.165 4.691 -9.202 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.768 4.974 -10.885 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.159 7.324 -11.149 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.784 5.773 -11.757 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.724 5.816 -10.812 1.00 0.00 H new ATOM 239 N ILE A 21 -0.945 1.464 -8.759 1.00 0.00 N ATOM 240 CA ILE A 21 -1.612 0.173 -8.871 1.00 0.00 C ATOM 241 C ILE A 21 -2.505 0.120 -10.106 1.00 0.00 C ATOM 242 O ILE A 21 -3.332 1.001 -10.344 1.00 0.00 O ATOM 243 CB ILE A 21 -2.463 -0.130 -7.623 1.00 0.00 C ATOM 244 CG1 ILE A 21 -1.744 0.347 -6.360 1.00 0.00 C ATOM 245 CG2 ILE A 21 -2.765 -1.619 -7.538 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.597 -0.547 -5.944 1.00 0.00 C ATOM 0 H ILE A 21 -1.576 2.256 -8.633 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.829 -0.580 -8.960 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.407 0.409 -7.705 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.366 1.356 -6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.463 0.406 -5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.367 -1.818 -6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.314 -1.930 -8.427 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.831 -2.177 -7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.134 -0.148 -5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.972 -1.551 -5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.142 -0.587 -6.744 1.00 0.00 H new ATOM 258 N PRO A 22 -2.336 -0.938 -10.913 1.00 0.00 N ATOM 259 CA PRO A 22 -3.119 -1.133 -12.137 1.00 0.00 C ATOM 260 C PRO A 22 -4.579 -1.464 -11.845 1.00 0.00 C ATOM 261 O PRO A 22 -4.889 -2.527 -11.308 1.00 0.00 O ATOM 262 CB PRO A 22 -2.428 -2.318 -12.815 1.00 0.00 C ATOM 263 CG PRO A 22 -1.774 -3.063 -11.702 1.00 0.00 C ATOM 264 CD PRO A 22 -1.369 -2.026 -10.692 1.00 0.00 C ATOM 0 HA PRO A 22 -3.149 -0.232 -12.749 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.146 -2.945 -13.343 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.697 -1.982 -13.550 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.458 -3.789 -11.263 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.907 -3.618 -12.060 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.425 -2.413 -9.674 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.344 -1.691 -10.849 1.00 0.00 H new ATOM 272 N ALA A 23 -5.472 -0.546 -12.202 1.00 0.00 N ATOM 273 CA ALA A 23 -6.899 -0.742 -11.980 1.00 0.00 C ATOM 274 C ALA A 23 -7.287 -2.206 -12.163 1.00 0.00 C ATOM 275 O ALA A 23 -8.076 -2.750 -11.391 1.00 0.00 O ATOM 276 CB ALA A 23 -7.705 0.141 -12.920 1.00 0.00 C ATOM 0 H ALA A 23 -5.232 0.340 -12.646 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.124 -0.460 -10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.769 -0.016 -12.743 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.457 1.187 -12.739 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.467 -0.115 -13.953 1.00 0.00 H new ATOM 282 N SER A 24 -6.728 -2.837 -13.190 1.00 0.00 N ATOM 283 CA SER A 24 -7.019 -4.237 -13.477 1.00 0.00 C ATOM 284 C SER A 24 -6.819 -5.100 -12.235 1.00 0.00 C ATOM 285 O SER A 24 -7.669 -5.921 -11.891 1.00 0.00 O ATOM 286 CB SER A 24 -6.127 -4.743 -14.612 1.00 0.00 C ATOM 287 OG SER A 24 -4.800 -4.267 -14.469 1.00 0.00 O ATOM 0 H SER A 24 -6.071 -2.401 -13.837 1.00 0.00 H new ATOM 0 HA SER A 24 -8.062 -4.309 -13.784 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.127 -5.833 -14.620 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.532 -4.417 -15.570 1.00 0.00 H new ATOM 0 HG SER A 24 -4.250 -4.606 -15.206 1.00 0.00 H new ATOM 293 N LYS A 25 -5.688 -4.907 -11.564 1.00 0.00 N ATOM 294 CA LYS A 25 -5.374 -5.665 -10.359 1.00 0.00 C ATOM 295 C LYS A 25 -5.938 -4.976 -9.120 1.00 0.00 C ATOM 296 O LYS A 25 -5.914 -5.533 -8.024 1.00 0.00 O ATOM 297 CB LYS A 25 -3.859 -5.833 -10.217 1.00 0.00 C ATOM 298 CG LYS A 25 -3.165 -6.206 -11.515 1.00 0.00 C ATOM 299 CD LYS A 25 -3.093 -7.713 -11.696 1.00 0.00 C ATOM 300 CE LYS A 25 -2.934 -8.092 -13.160 1.00 0.00 C ATOM 301 NZ LYS A 25 -1.503 -8.137 -13.570 1.00 0.00 N ATOM 0 H LYS A 25 -4.973 -4.231 -11.835 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.836 -6.648 -10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.432 -4.903 -9.841 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.655 -6.602 -9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.700 -5.763 -12.355 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.158 -5.789 -11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.255 -8.110 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.997 -8.172 -11.296 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.392 -9.065 -13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.467 -7.372 -13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.347 -7.477 -14.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.903 -7.863 -12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.259 -9.102 -13.872 1.00 0.00 H new ATOM 315 N ALA A 26 -6.446 -3.761 -9.304 1.00 0.00 N ATOM 316 CA ALA A 26 -7.019 -2.998 -8.203 1.00 0.00 C ATOM 317 C ALA A 26 -8.277 -3.671 -7.664 1.00 0.00 C ATOM 318 O ALA A 26 -8.813 -3.271 -6.632 1.00 0.00 O ATOM 319 CB ALA A 26 -7.328 -1.577 -8.650 1.00 0.00 C ATOM 0 H ALA A 26 -6.472 -3.285 -10.206 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.285 -2.962 -7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.756 -1.019 -7.817 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.409 -1.091 -8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.041 -1.602 -9.474 1.00 0.00 H new ATOM 325 N GLY A 27 -8.743 -4.696 -8.372 1.00 0.00 N ATOM 326 CA GLY A 27 -9.935 -5.408 -7.949 1.00 0.00 C ATOM 327 C GLY A 27 -9.618 -6.759 -7.340 1.00 0.00 C ATOM 328 O GLY A 27 -10.522 -7.504 -6.959 1.00 0.00 O ATOM 0 H GLY A 27 -8.317 -5.046 -9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.477 -4.803 -7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.596 -5.545 -8.805 1.00 0.00 H new ATOM 332 N LEU A 28 -8.332 -7.078 -7.249 1.00 0.00 N ATOM 333 CA LEU A 28 -7.898 -8.351 -6.683 1.00 0.00 C ATOM 334 C LEU A 28 -7.382 -8.166 -5.260 1.00 0.00 C ATOM 335 O LEU A 28 -7.559 -9.036 -4.406 1.00 0.00 O ATOM 336 CB LEU A 28 -6.808 -8.974 -7.557 1.00 0.00 C ATOM 337 CG LEU A 28 -7.285 -9.665 -8.835 1.00 0.00 C ATOM 338 CD1 LEU A 28 -7.411 -8.661 -9.969 1.00 0.00 C ATOM 339 CD2 LEU A 28 -6.335 -10.790 -9.219 1.00 0.00 C ATOM 0 H LEU A 28 -7.572 -6.473 -7.560 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.758 -9.020 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.101 -8.192 -7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.261 -9.701 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.269 -10.095 -8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.751 -9.171 -10.870 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.131 -7.890 -9.694 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.441 -8.201 -10.157 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.690 -11.271 -10.131 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.338 -10.383 -9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.295 -11.524 -8.414 1.00 0.00 H new ATOM 351 N VAL A 29 -6.743 -7.027 -5.011 1.00 0.00 N ATOM 352 CA VAL A 29 -6.204 -6.727 -3.690 1.00 0.00 C ATOM 353 C VAL A 29 -7.220 -5.972 -2.840 1.00 0.00 C ATOM 354 O VAL A 29 -7.104 -5.920 -1.615 1.00 0.00 O ATOM 355 CB VAL A 29 -4.913 -5.893 -3.787 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.110 -4.709 -4.722 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.475 -5.426 -2.407 1.00 0.00 C ATOM 0 H VAL A 29 -6.586 -6.297 -5.706 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.977 -7.682 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.125 -6.523 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.187 -4.132 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.372 -5.070 -5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.912 -4.075 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.561 -4.838 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.260 -4.813 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.290 -6.292 -1.772 1.00 0.00 H new ATOM 367 N ILE A 30 -8.217 -5.388 -3.498 1.00 0.00 N ATOM 368 CA ILE A 30 -9.254 -4.638 -2.803 1.00 0.00 C ATOM 369 C ILE A 30 -10.461 -5.519 -2.499 1.00 0.00 C ATOM 370 O ILE A 30 -11.037 -5.450 -1.414 1.00 0.00 O ATOM 371 CB ILE A 30 -9.716 -3.420 -3.626 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.524 -2.521 -3.959 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.779 -2.640 -2.867 1.00 0.00 C ATOM 374 CD1 ILE A 30 -8.880 -1.350 -4.848 1.00 0.00 C ATOM 0 H ILE A 30 -8.327 -5.421 -4.511 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.817 -4.290 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.152 -3.775 -4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.093 -2.145 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.755 -3.118 -4.449 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.095 -1.783 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.637 -3.285 -2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.368 -2.293 -1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.987 -0.756 -5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.283 -1.719 -5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.627 -0.730 -4.352 1.00 0.00 H new ATOM 386 N GLY A 31 -10.838 -6.350 -3.467 1.00 0.00 N ATOM 387 CA GLY A 31 -11.974 -7.235 -3.283 1.00 0.00 C ATOM 388 C GLY A 31 -13.256 -6.658 -3.848 1.00 0.00 C ATOM 389 O GLY A 31 -13.319 -6.296 -5.023 1.00 0.00 O ATOM 0 H GLY A 31 -10.378 -6.426 -4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.767 -8.191 -3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.107 -7.434 -2.220 1.00 0.00 H new ATOM 393 N LYS A 32 -14.284 -6.572 -3.010 1.00 0.00 N ATOM 394 CA LYS A 32 -15.572 -6.035 -3.431 1.00 0.00 C ATOM 395 C LYS A 32 -16.009 -4.892 -2.521 1.00 0.00 C ATOM 396 O LYS A 32 -17.202 -4.664 -2.322 1.00 0.00 O ATOM 397 CB LYS A 32 -16.633 -7.138 -3.427 1.00 0.00 C ATOM 398 CG LYS A 32 -16.645 -7.976 -4.694 1.00 0.00 C ATOM 399 CD LYS A 32 -15.631 -9.106 -4.624 1.00 0.00 C ATOM 400 CE LYS A 32 -16.198 -10.319 -3.902 1.00 0.00 C ATOM 401 NZ LYS A 32 -15.981 -10.241 -2.431 1.00 0.00 N ATOM 0 H LYS A 32 -14.250 -6.868 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.462 -5.648 -4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.463 -7.791 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.615 -6.685 -3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -17.642 -8.389 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.426 -7.342 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -15.330 -9.389 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.735 -8.761 -4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -17.265 -10.398 -4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.731 -11.224 -4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.791 -11.193 -2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.169 -9.622 -2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.831 -9.854 -1.975 1.00 0.00 H new ATOM 415 N GLY A 33 -15.034 -4.174 -1.971 1.00 0.00 N ATOM 416 CA GLY A 33 -15.339 -3.061 -1.090 1.00 0.00 C ATOM 417 C GLY A 33 -14.376 -2.965 0.076 1.00 0.00 C ATOM 418 O GLY A 33 -14.753 -2.545 1.169 1.00 0.00 O ATOM 0 H GLY A 33 -14.039 -4.343 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.309 -2.132 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.355 -3.170 -0.710 1.00 0.00 H new ATOM 422 N GLY A 34 -13.127 -3.359 -0.155 1.00 0.00 N ATOM 423 CA GLY A 34 -12.127 -3.309 0.895 1.00 0.00 C ATOM 424 C GLY A 34 -12.194 -4.510 1.817 1.00 0.00 C ATOM 425 O GLY A 34 -12.146 -4.366 3.038 1.00 0.00 O ATOM 0 H GLY A 34 -12.790 -3.712 -1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.135 -3.255 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.263 -2.399 1.479 1.00 0.00 H new ATOM 429 N GLU A 35 -12.307 -5.698 1.232 1.00 0.00 N ATOM 430 CA GLU A 35 -12.384 -6.929 2.010 1.00 0.00 C ATOM 431 C GLU A 35 -10.998 -7.539 2.201 1.00 0.00 C ATOM 432 O GLU A 35 -10.654 -7.999 3.291 1.00 0.00 O ATOM 433 CB GLU A 35 -13.307 -7.937 1.323 1.00 0.00 C ATOM 434 CG GLU A 35 -14.764 -7.805 1.732 1.00 0.00 C ATOM 435 CD GLU A 35 -15.521 -6.804 0.881 1.00 0.00 C ATOM 436 OE1 GLU A 35 -15.468 -6.921 -0.361 1.00 0.00 O ATOM 437 OE2 GLU A 35 -16.167 -5.904 1.458 1.00 0.00 O ATOM 0 H GLU A 35 -12.347 -5.834 0.222 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.793 -6.684 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.229 -7.811 0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.964 -8.946 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.248 -8.779 1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.818 -7.501 2.777 1.00 0.00 H new ATOM 444 N THR A 36 -10.206 -7.541 1.133 1.00 0.00 N ATOM 445 CA THR A 36 -8.860 -8.095 1.181 1.00 0.00 C ATOM 446 C THR A 36 -7.856 -7.061 1.678 1.00 0.00 C ATOM 447 O THR A 36 -7.179 -7.273 2.684 1.00 0.00 O ATOM 448 CB THR A 36 -8.412 -8.605 -0.202 1.00 0.00 C ATOM 449 OG1 THR A 36 -9.214 -9.725 -0.594 1.00 0.00 O ATOM 450 CG2 THR A 36 -6.945 -9.007 -0.182 1.00 0.00 C ATOM 0 H THR A 36 -10.475 -7.165 0.224 1.00 0.00 H new ATOM 0 HA THR A 36 -8.889 -8.933 1.877 1.00 0.00 H new ATOM 0 HB THR A 36 -8.540 -7.797 -0.922 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.924 -10.042 -1.475 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.652 -9.364 -1.169 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.335 -8.145 0.088 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.795 -9.801 0.550 1.00 0.00 H new ATOM 458 N ILE A 37 -7.767 -5.942 0.968 1.00 0.00 N ATOM 459 CA ILE A 37 -6.847 -4.874 1.339 1.00 0.00 C ATOM 460 C ILE A 37 -6.970 -4.532 2.820 1.00 0.00 C ATOM 461 O ILE A 37 -5.967 -4.373 3.517 1.00 0.00 O ATOM 462 CB ILE A 37 -7.097 -3.601 0.507 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.289 -2.431 1.071 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.580 -3.266 0.485 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.249 -1.228 0.155 1.00 0.00 C ATOM 0 H ILE A 37 -8.321 -5.751 0.133 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.841 -5.240 1.135 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.771 -3.783 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.715 -2.134 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.269 -2.764 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.741 -2.365 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.134 -4.094 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.930 -3.099 1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.659 -0.437 0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.795 -1.509 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.263 -0.869 -0.019 1.00 0.00 H new ATOM 477 N LYS A 38 -8.205 -4.422 3.295 1.00 0.00 N ATOM 478 CA LYS A 38 -8.462 -4.102 4.695 1.00 0.00 C ATOM 479 C LYS A 38 -7.673 -5.026 5.617 1.00 0.00 C ATOM 480 O LYS A 38 -7.172 -4.599 6.657 1.00 0.00 O ATOM 481 CB LYS A 38 -9.957 -4.215 4.999 1.00 0.00 C ATOM 482 CG LYS A 38 -10.328 -3.765 6.402 1.00 0.00 C ATOM 483 CD LYS A 38 -11.826 -3.851 6.637 1.00 0.00 C ATOM 484 CE LYS A 38 -12.235 -5.230 7.130 1.00 0.00 C ATOM 485 NZ LYS A 38 -13.706 -5.443 7.026 1.00 0.00 N ATOM 0 H LYS A 38 -9.045 -4.550 2.731 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.138 -3.077 4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.512 -3.618 4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.269 -5.250 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.808 -4.384 7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.993 -2.739 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.124 -3.099 7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.354 -3.623 5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.716 -5.992 6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.923 -5.352 8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.944 -6.394 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.201 -4.732 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.001 -5.352 6.033 1.00 0.00 H new ATOM 499 N GLN A 39 -7.566 -6.292 5.228 1.00 0.00 N ATOM 500 CA GLN A 39 -6.837 -7.276 6.021 1.00 0.00 C ATOM 501 C GLN A 39 -5.331 -7.094 5.862 1.00 0.00 C ATOM 502 O GLN A 39 -4.567 -7.304 6.805 1.00 0.00 O ATOM 503 CB GLN A 39 -7.239 -8.693 5.608 1.00 0.00 C ATOM 504 CG GLN A 39 -8.598 -9.119 6.139 1.00 0.00 C ATOM 505 CD GLN A 39 -8.536 -9.618 7.569 1.00 0.00 C ATOM 506 OE1 GLN A 39 -7.791 -10.547 7.883 1.00 0.00 O ATOM 507 NE2 GLN A 39 -9.320 -9.002 8.446 1.00 0.00 N ATOM 0 H GLN A 39 -7.974 -6.661 4.369 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.094 -7.125 7.069 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.247 -8.757 4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.484 -9.394 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.287 -8.276 6.082 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.003 -9.905 5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.922 -8.236 8.142 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.320 -9.294 9.423 1.00 0.00 H new ATOM 516 N LEU A 40 -4.910 -6.705 4.664 1.00 0.00 N ATOM 517 CA LEU A 40 -3.495 -6.495 4.381 1.00 0.00 C ATOM 518 C LEU A 40 -2.896 -5.465 5.334 1.00 0.00 C ATOM 519 O LEU A 40 -1.677 -5.375 5.477 1.00 0.00 O ATOM 520 CB LEU A 40 -3.306 -6.038 2.933 1.00 0.00 C ATOM 521 CG LEU A 40 -3.214 -7.148 1.886 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.356 -6.574 0.485 1.00 0.00 C ATOM 523 CD2 LEU A 40 -1.901 -7.905 2.024 1.00 0.00 C ATOM 0 H LEU A 40 -5.529 -6.529 3.873 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.976 -7.443 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.137 -5.384 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.398 -5.438 2.878 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.033 -7.848 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.288 -7.379 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.322 -6.079 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.559 -5.852 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.853 -8.691 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.068 -7.217 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.840 -8.350 3.017 1.00 0.00 H new ATOM 535 N GLN A 41 -3.761 -4.694 5.983 1.00 0.00 N ATOM 536 CA GLN A 41 -3.317 -3.671 6.923 1.00 0.00 C ATOM 537 C GLN A 41 -2.790 -4.305 8.207 1.00 0.00 C ATOM 538 O GLN A 41 -1.959 -3.721 8.902 1.00 0.00 O ATOM 539 CB GLN A 41 -4.464 -2.713 7.247 1.00 0.00 C ATOM 540 CG GLN A 41 -4.879 -1.842 6.072 1.00 0.00 C ATOM 541 CD GLN A 41 -5.996 -0.880 6.424 1.00 0.00 C ATOM 542 OE1 GLN A 41 -5.995 -0.276 7.497 1.00 0.00 O ATOM 543 NE2 GLN A 41 -6.957 -0.731 5.521 1.00 0.00 N ATOM 0 H GLN A 41 -4.773 -4.758 5.876 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.507 -3.111 6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.325 -3.291 7.582 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.167 -2.072 8.077 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.016 -1.277 5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.200 -2.479 5.248 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.918 -1.251 4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.734 -0.096 5.703 1.00 0.00 H new ATOM 552 N GLU A 42 -3.280 -5.502 8.515 1.00 0.00 N ATOM 553 CA GLU A 42 -2.858 -6.213 9.716 1.00 0.00 C ATOM 554 C GLU A 42 -1.611 -7.049 9.444 1.00 0.00 C ATOM 555 O GLU A 42 -0.709 -7.127 10.278 1.00 0.00 O ATOM 556 CB GLU A 42 -3.987 -7.111 10.226 1.00 0.00 C ATOM 557 CG GLU A 42 -5.296 -6.374 10.453 1.00 0.00 C ATOM 558 CD GLU A 42 -5.350 -5.682 11.801 1.00 0.00 C ATOM 559 OE1 GLU A 42 -4.809 -4.563 11.917 1.00 0.00 O ATOM 560 OE2 GLU A 42 -5.935 -6.261 12.741 1.00 0.00 O ATOM 0 H GLU A 42 -3.969 -5.999 7.950 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.618 -5.474 10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.152 -7.915 9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.675 -7.577 11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.434 -5.635 9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.124 -7.079 10.378 1.00 0.00 H new ATOM 567 N ARG A 43 -1.569 -7.674 8.272 1.00 0.00 N ATOM 568 CA ARG A 43 -0.435 -8.506 7.890 1.00 0.00 C ATOM 569 C ARG A 43 0.872 -7.725 7.993 1.00 0.00 C ATOM 570 O ARG A 43 1.908 -8.276 8.363 1.00 0.00 O ATOM 571 CB ARG A 43 -0.616 -9.030 6.464 1.00 0.00 C ATOM 572 CG ARG A 43 -1.490 -10.271 6.378 1.00 0.00 C ATOM 573 CD ARG A 43 -0.673 -11.540 6.563 1.00 0.00 C ATOM 574 NE ARG A 43 -0.549 -11.911 7.970 1.00 0.00 N ATOM 575 CZ ARG A 43 -1.534 -12.453 8.677 1.00 0.00 C ATOM 576 NH1 ARG A 43 -2.711 -12.686 8.111 1.00 0.00 N ATOM 577 NH2 ARG A 43 -1.344 -12.762 9.953 1.00 0.00 N ATOM 0 H ARG A 43 -2.308 -7.620 7.571 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.389 -9.351 8.577 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.055 -8.244 5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.363 -9.255 6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.268 -10.223 7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.992 -10.298 5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.141 -12.356 6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.320 -11.397 6.137 1.00 0.00 H new ATOM 0 HE ARG A 43 0.343 -11.745 8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.861 -12.449 7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.466 -13.102 8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.441 -12.583 10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.101 -13.178 10.495 1.00 0.00 H new ATOM 591 N ALA A 44 0.814 -6.439 7.665 1.00 0.00 N ATOM 592 CA ALA A 44 1.992 -5.582 7.722 1.00 0.00 C ATOM 593 C ALA A 44 1.882 -4.574 8.861 1.00 0.00 C ATOM 594 O ALA A 44 2.891 -4.102 9.385 1.00 0.00 O ATOM 595 CB ALA A 44 2.187 -4.863 6.395 1.00 0.00 C ATOM 0 H ALA A 44 -0.036 -5.967 7.357 1.00 0.00 H new ATOM 0 HA ALA A 44 2.861 -6.212 7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.070 -4.227 6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.319 -5.597 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.311 -4.250 6.181 1.00 0.00 H new ATOM 601 N GLY A 45 0.650 -4.247 9.239 1.00 0.00 N ATOM 602 CA GLY A 45 0.432 -3.296 10.314 1.00 0.00 C ATOM 603 C GLY A 45 0.457 -1.859 9.830 1.00 0.00 C ATOM 604 O GLY A 45 1.088 -1.000 10.446 1.00 0.00 O ATOM 0 H GLY A 45 -0.201 -4.623 8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.529 -3.500 10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.198 -3.433 11.077 1.00 0.00 H new ATOM 608 N VAL A 46 -0.230 -1.597 8.723 1.00 0.00 N ATOM 609 CA VAL A 46 -0.284 -0.255 8.156 1.00 0.00 C ATOM 610 C VAL A 46 -1.646 0.024 7.531 1.00 0.00 C ATOM 611 O VAL A 46 -2.388 -0.900 7.195 1.00 0.00 O ATOM 612 CB VAL A 46 0.809 -0.051 7.090 1.00 0.00 C ATOM 613 CG1 VAL A 46 2.192 -0.176 7.712 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.635 -1.046 5.953 1.00 0.00 C ATOM 0 H VAL A 46 -0.757 -2.297 8.201 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.115 0.442 8.977 1.00 0.00 H new ATOM 0 HB VAL A 46 0.711 0.955 6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.951 -0.029 6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.311 0.579 8.489 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.306 -1.168 8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.415 -0.888 5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.706 -2.061 6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.342 -0.903 5.491 1.00 0.00 H new ATOM 624 N LYS A 47 -1.970 1.303 7.376 1.00 0.00 N ATOM 625 CA LYS A 47 -3.242 1.705 6.789 1.00 0.00 C ATOM 626 C LYS A 47 -3.123 1.843 5.274 1.00 0.00 C ATOM 627 O LYS A 47 -2.288 2.596 4.774 1.00 0.00 O ATOM 628 CB LYS A 47 -3.712 3.029 7.397 1.00 0.00 C ATOM 629 CG LYS A 47 -5.223 3.180 7.432 1.00 0.00 C ATOM 630 CD LYS A 47 -5.637 4.504 8.052 1.00 0.00 C ATOM 631 CE LYS A 47 -5.759 5.597 7.002 1.00 0.00 C ATOM 632 NZ LYS A 47 -6.698 6.672 7.427 1.00 0.00 N ATOM 0 H LYS A 47 -1.368 2.080 7.649 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.976 0.930 7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.323 3.111 8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.286 3.853 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.620 3.112 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.659 2.359 8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.591 4.384 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.905 4.800 8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.776 6.028 6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.105 5.163 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.754 7.398 6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.642 6.266 7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.355 7.104 8.309 1.00 0.00 H new ATOM 646 N MET A 48 -3.965 1.113 4.550 1.00 0.00 N ATOM 647 CA MET A 48 -3.955 1.156 3.093 1.00 0.00 C ATOM 648 C MET A 48 -5.168 1.915 2.563 1.00 0.00 C ATOM 649 O MET A 48 -6.306 1.470 2.713 1.00 0.00 O ATOM 650 CB MET A 48 -3.937 -0.262 2.519 1.00 0.00 C ATOM 651 CG MET A 48 -2.576 -0.934 2.605 1.00 0.00 C ATOM 652 SD MET A 48 -2.635 -2.681 2.161 1.00 0.00 S ATOM 653 CE MET A 48 -0.987 -3.204 2.625 1.00 0.00 C ATOM 0 H MET A 48 -4.663 0.485 4.949 1.00 0.00 H new ATOM 0 HA MET A 48 -3.053 1.680 2.777 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.668 -0.870 3.052 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.251 -0.227 1.476 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.878 -0.419 1.945 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.189 -0.834 3.619 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.747 -4.140 2.120 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.267 -2.439 2.334 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.943 -3.352 3.704 1.00 0.00 H new ATOM 663 N VAL A 49 -4.917 3.065 1.944 1.00 0.00 N ATOM 664 CA VAL A 49 -5.988 3.885 1.392 1.00 0.00 C ATOM 665 C VAL A 49 -5.761 4.161 -0.090 1.00 0.00 C ATOM 666 O VAL A 49 -4.848 4.899 -0.461 1.00 0.00 O ATOM 667 CB VAL A 49 -6.111 5.226 2.140 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.147 6.118 1.473 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.460 4.991 3.602 1.00 0.00 C ATOM 0 H VAL A 49 -3.981 3.449 1.813 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.913 3.322 1.516 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.148 5.735 2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.219 7.060 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.849 6.314 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.116 5.619 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.543 5.949 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.410 4.460 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.678 4.395 4.072 1.00 0.00 H new ATOM 679 N MET A 50 -6.598 3.565 -0.932 1.00 0.00 N ATOM 680 CA MET A 50 -6.489 3.748 -2.375 1.00 0.00 C ATOM 681 C MET A 50 -6.987 5.130 -2.787 1.00 0.00 C ATOM 682 O MET A 50 -8.135 5.490 -2.523 1.00 0.00 O ATOM 683 CB MET A 50 -7.284 2.667 -3.110 1.00 0.00 C ATOM 684 CG MET A 50 -6.577 1.322 -3.161 1.00 0.00 C ATOM 685 SD MET A 50 -5.525 1.146 -4.615 1.00 0.00 S ATOM 686 CE MET A 50 -4.992 -0.555 -4.444 1.00 0.00 C ATOM 0 H MET A 50 -7.359 2.951 -0.641 1.00 0.00 H new ATOM 0 HA MET A 50 -5.437 3.664 -2.648 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.250 2.542 -2.621 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.483 3.003 -4.128 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.972 1.199 -2.263 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.320 0.525 -3.156 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.915 -0.584 -4.276 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.504 -1.013 -3.598 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.232 -1.105 -5.354 1.00 0.00 H new ATOM 696 N ILE A 51 -6.118 5.899 -3.433 1.00 0.00 N ATOM 697 CA ILE A 51 -6.471 7.240 -3.881 1.00 0.00 C ATOM 698 C ILE A 51 -7.063 7.213 -5.286 1.00 0.00 C ATOM 699 O ILE A 51 -6.539 6.544 -6.177 1.00 0.00 O ATOM 700 CB ILE A 51 -5.249 8.178 -3.869 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.585 8.169 -2.491 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.661 9.590 -4.255 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.478 8.689 -1.386 1.00 0.00 C ATOM 0 H ILE A 51 -5.164 5.616 -3.658 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.217 7.619 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.527 7.818 -4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.279 7.151 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.679 8.773 -2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.787 10.241 -4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.093 9.582 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.400 9.961 -3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.942 8.653 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.764 9.718 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.373 8.070 -1.320 1.00 0.00 H new ATOM 827 N ASP A 61 -4.129 3.929 -14.150 1.00 0.00 N ATOM 828 CA ASP A 61 -3.590 3.426 -12.892 1.00 0.00 C ATOM 829 C ASP A 61 -4.232 4.134 -11.703 1.00 0.00 C ATOM 830 O ASP A 61 -4.918 5.145 -11.865 1.00 0.00 O ATOM 831 CB ASP A 61 -2.072 3.610 -12.852 1.00 0.00 C ATOM 832 CG ASP A 61 -1.417 2.784 -11.762 1.00 0.00 C ATOM 833 OD1 ASP A 61 -1.077 1.613 -12.030 1.00 0.00 O ATOM 834 OD2 ASP A 61 -1.246 3.308 -10.642 1.00 0.00 O ATOM 0 HA ASP A 61 -3.821 2.363 -12.827 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.650 3.332 -13.818 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.841 4.663 -12.694 1.00 0.00 H new ATOM 839 N LYS A 62 -4.008 3.598 -10.509 1.00 0.00 N ATOM 840 CA LYS A 62 -4.563 4.178 -9.292 1.00 0.00 C ATOM 841 C LYS A 62 -3.507 4.255 -8.194 1.00 0.00 C ATOM 842 O LYS A 62 -2.988 3.242 -7.726 1.00 0.00 O ATOM 843 CB LYS A 62 -5.757 3.351 -8.807 1.00 0.00 C ATOM 844 CG LYS A 62 -6.783 3.071 -9.892 1.00 0.00 C ATOM 845 CD LYS A 62 -7.794 4.200 -10.008 1.00 0.00 C ATOM 846 CE LYS A 62 -8.479 4.197 -11.366 1.00 0.00 C ATOM 847 NZ LYS A 62 -9.596 5.180 -11.425 1.00 0.00 N ATOM 0 H LYS A 62 -3.445 2.761 -10.358 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.897 5.190 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.394 2.404 -8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.243 3.877 -7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.276 2.936 -10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.302 2.138 -9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.542 4.102 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.293 5.156 -9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.749 4.429 -12.142 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.862 3.199 -11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.037 5.148 -12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.305 4.944 -10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.227 6.136 -11.248 1.00 0.00 H new ATOM 861 N PRO A 63 -3.180 5.486 -7.772 1.00 0.00 N ATOM 862 CA PRO A 63 -2.184 5.725 -6.723 1.00 0.00 C ATOM 863 C PRO A 63 -2.670 5.276 -5.349 1.00 0.00 C ATOM 864 O PRO A 63 -3.622 5.834 -4.803 1.00 0.00 O ATOM 865 CB PRO A 63 -1.994 7.243 -6.753 1.00 0.00 C ATOM 866 CG PRO A 63 -3.271 7.774 -7.310 1.00 0.00 C ATOM 867 CD PRO A 63 -3.759 6.739 -8.286 1.00 0.00 C ATOM 0 HA PRO A 63 -1.266 5.163 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.803 7.638 -5.755 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.144 7.523 -7.375 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.002 7.940 -6.519 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.113 8.732 -7.804 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.848 6.696 -8.316 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.421 6.952 -9.300 1.00 0.00 H new ATOM 875 N LEU A 64 -2.011 4.265 -4.795 1.00 0.00 N ATOM 876 CA LEU A 64 -2.375 3.741 -3.483 1.00 0.00 C ATOM 877 C LEU A 64 -1.516 4.366 -2.389 1.00 0.00 C ATOM 878 O LEU A 64 -0.288 4.351 -2.466 1.00 0.00 O ATOM 879 CB LEU A 64 -2.223 2.219 -3.460 1.00 0.00 C ATOM 880 CG LEU A 64 -2.030 1.585 -2.082 1.00 0.00 C ATOM 881 CD1 LEU A 64 -3.311 1.681 -1.267 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.590 0.134 -2.219 1.00 0.00 C ATOM 0 H LEU A 64 -1.221 3.791 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.417 3.999 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.108 1.778 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.371 1.949 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.247 2.133 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.155 1.225 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.583 2.729 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.113 1.158 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.457 -0.301 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.350 -0.427 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.647 0.090 -2.764 1.00 0.00 H new ATOM 894 N ARG A 65 -2.171 4.914 -1.371 1.00 0.00 N ATOM 895 CA ARG A 65 -1.467 5.544 -0.260 1.00 0.00 C ATOM 896 C ARG A 65 -1.382 4.599 0.935 1.00 0.00 C ATOM 897 O ARG A 65 -2.402 4.149 1.457 1.00 0.00 O ATOM 898 CB ARG A 65 -2.172 6.838 0.150 1.00 0.00 C ATOM 899 CG ARG A 65 -1.282 7.797 0.925 1.00 0.00 C ATOM 900 CD ARG A 65 -2.100 8.863 1.637 1.00 0.00 C ATOM 901 NE ARG A 65 -1.312 10.060 1.919 1.00 0.00 N ATOM 902 CZ ARG A 65 -0.869 10.886 0.978 1.00 0.00 C ATOM 903 NH1 ARG A 65 -1.135 10.646 -0.298 1.00 0.00 N ATOM 904 NH2 ARG A 65 -0.158 11.955 1.314 1.00 0.00 N ATOM 0 H ARG A 65 -3.188 4.935 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.455 5.778 -0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.541 7.340 -0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.042 6.591 0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.694 7.240 1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.577 8.273 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.959 9.131 1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.490 8.457 2.571 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.090 10.273 2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.681 9.825 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.794 11.282 -1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.048 12.142 2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.182 12.589 0.591 1.00 0.00 H new ATOM 918 N ILE A 66 -0.159 4.302 1.362 1.00 0.00 N ATOM 919 CA ILE A 66 0.059 3.412 2.495 1.00 0.00 C ATOM 920 C ILE A 66 0.660 4.164 3.678 1.00 0.00 C ATOM 921 O ILE A 66 1.856 4.459 3.699 1.00 0.00 O ATOM 922 CB ILE A 66 0.988 2.241 2.121 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.353 1.391 1.018 1.00 0.00 C ATOM 924 CG2 ILE A 66 1.288 1.391 3.346 1.00 0.00 C ATOM 925 CD1 ILE A 66 1.176 0.180 0.640 1.00 0.00 C ATOM 0 H ILE A 66 0.696 4.665 0.940 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.917 3.016 2.777 1.00 0.00 H new ATOM 0 HB ILE A 66 1.928 2.647 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.633 1.062 1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.205 2.010 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.945 0.568 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.777 2.004 4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.357 0.991 3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.666 -0.376 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.154 0.502 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.303 -0.461 1.513 1.00 0.00 H new ATOM 937 N THR A 67 -0.177 4.472 4.663 1.00 0.00 N ATOM 938 CA THR A 67 0.270 5.189 5.851 1.00 0.00 C ATOM 939 C THR A 67 0.526 4.231 7.008 1.00 0.00 C ATOM 940 O THR A 67 -0.004 3.121 7.037 1.00 0.00 O ATOM 941 CB THR A 67 -0.761 6.245 6.291 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.087 5.783 6.007 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.517 7.569 5.583 1.00 0.00 C ATOM 0 H THR A 67 -1.169 4.236 4.662 1.00 0.00 H new ATOM 0 HA THR A 67 1.201 5.690 5.586 1.00 0.00 H new ATOM 0 HB THR A 67 -0.653 6.401 7.364 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.724 6.515 6.141 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.258 8.299 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.482 7.932 5.825 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.600 7.426 4.506 1.00 0.00 H new ATOM 951 N GLY A 68 1.342 4.668 7.963 1.00 0.00 N ATOM 952 CA GLY A 68 1.653 3.836 9.111 1.00 0.00 C ATOM 953 C GLY A 68 3.056 4.072 9.635 1.00 0.00 C ATOM 954 O GLY A 68 3.452 5.213 9.873 1.00 0.00 O ATOM 0 H GLY A 68 1.793 5.583 7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.934 4.035 9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.543 2.787 8.836 1.00 0.00 H new ATOM 958 N ASP A 69 3.807 2.992 9.816 1.00 0.00 N ATOM 959 CA ASP A 69 5.174 3.086 10.316 1.00 0.00 C ATOM 960 C ASP A 69 6.171 3.156 9.163 1.00 0.00 C ATOM 961 O ASP A 69 5.897 2.717 8.046 1.00 0.00 O ATOM 962 CB ASP A 69 5.495 1.890 11.213 1.00 0.00 C ATOM 963 CG ASP A 69 5.211 2.170 12.676 1.00 0.00 C ATOM 964 OD1 ASP A 69 4.341 3.021 12.959 1.00 0.00 O ATOM 965 OD2 ASP A 69 5.858 1.538 13.537 1.00 0.00 O ATOM 0 H ASP A 69 3.493 2.041 9.624 1.00 0.00 H new ATOM 0 HA ASP A 69 5.258 4.002 10.901 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.908 1.030 10.890 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.545 1.622 11.095 1.00 0.00 H new ATOM 970 N PRO A 70 7.355 3.721 9.439 1.00 0.00 N ATOM 971 CA PRO A 70 8.417 3.862 8.438 1.00 0.00 C ATOM 972 C PRO A 70 9.035 2.521 8.055 1.00 0.00 C ATOM 973 O PRO A 70 9.471 2.329 6.920 1.00 0.00 O ATOM 974 CB PRO A 70 9.451 4.746 9.139 1.00 0.00 C ATOM 975 CG PRO A 70 9.225 4.513 10.593 1.00 0.00 C ATOM 976 CD PRO A 70 7.750 4.265 10.749 1.00 0.00 C ATOM 0 HA PRO A 70 8.043 4.280 7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.466 4.475 8.848 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.315 5.796 8.880 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.804 3.659 10.946 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.540 5.376 11.180 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.544 3.561 11.555 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.211 5.183 10.982 1.00 0.00 H new ATOM 984 N TYR A 71 9.068 1.597 9.008 1.00 0.00 N ATOM 985 CA TYR A 71 9.634 0.274 8.771 1.00 0.00 C ATOM 986 C TYR A 71 8.585 -0.673 8.199 1.00 0.00 C ATOM 987 O TYR A 71 8.913 -1.647 7.522 1.00 0.00 O ATOM 988 CB TYR A 71 10.202 -0.300 10.070 1.00 0.00 C ATOM 989 CG TYR A 71 10.945 -1.604 9.882 1.00 0.00 C ATOM 990 CD1 TYR A 71 10.260 -2.807 9.767 1.00 0.00 C ATOM 991 CD2 TYR A 71 12.333 -1.631 9.817 1.00 0.00 C ATOM 992 CE1 TYR A 71 10.935 -4.000 9.596 1.00 0.00 C ATOM 993 CE2 TYR A 71 13.016 -2.819 9.644 1.00 0.00 C ATOM 994 CZ TYR A 71 12.313 -4.001 9.534 1.00 0.00 C ATOM 995 OH TYR A 71 12.989 -5.187 9.362 1.00 0.00 O ATOM 0 H TYR A 71 8.710 1.739 9.952 1.00 0.00 H new ATOM 0 HA TYR A 71 10.439 0.376 8.044 1.00 0.00 H new ATOM 0 HB2 TYR A 71 10.876 0.431 10.516 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.386 -0.455 10.776 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.181 -2.810 9.812 1.00 0.00 H new ATOM 0 HD2 TYR A 71 12.887 -0.708 9.903 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.387 -4.927 9.511 1.00 0.00 H new ATOM 0 HE2 TYR A 71 14.095 -2.823 9.595 1.00 0.00 H new ATOM 0 HH TYR A 71 13.953 -5.013 9.338 1.00 0.00 H new ATOM 1005 N LYS A 72 7.319 -0.379 8.475 1.00 0.00 N ATOM 1006 CA LYS A 72 6.218 -1.202 7.987 1.00 0.00 C ATOM 1007 C LYS A 72 5.724 -0.702 6.634 1.00 0.00 C ATOM 1008 O LYS A 72 5.697 -1.451 5.657 1.00 0.00 O ATOM 1009 CB LYS A 72 5.066 -1.199 8.995 1.00 0.00 C ATOM 1010 CG LYS A 72 5.494 -1.558 10.408 1.00 0.00 C ATOM 1011 CD LYS A 72 4.303 -1.946 11.269 1.00 0.00 C ATOM 1012 CE LYS A 72 4.708 -2.899 12.383 1.00 0.00 C ATOM 1013 NZ LYS A 72 3.579 -3.175 13.314 1.00 0.00 N ATOM 0 H LYS A 72 7.030 0.423 9.034 1.00 0.00 H new ATOM 0 HA LYS A 72 6.585 -2.221 7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.604 -0.212 9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.303 -1.904 8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.205 -2.384 10.375 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.010 -0.711 10.859 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.857 -1.050 11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.540 -2.415 10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.059 -3.836 11.950 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.542 -2.473 12.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.895 -3.828 14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.260 -2.285 13.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.792 -3.605 12.787 1.00 0.00 H new ATOM 1027 N VAL A 73 5.334 0.568 6.583 1.00 0.00 N ATOM 1028 CA VAL A 73 4.844 1.168 5.348 1.00 0.00 C ATOM 1029 C VAL A 73 5.658 0.699 4.147 1.00 0.00 C ATOM 1030 O VAL A 73 5.125 0.531 3.051 1.00 0.00 O ATOM 1031 CB VAL A 73 4.888 2.706 5.415 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.687 3.307 4.032 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.843 3.227 6.390 1.00 0.00 C ATOM 0 H VAL A 73 5.348 1.201 7.383 1.00 0.00 H new ATOM 0 HA VAL A 73 3.809 0.846 5.229 1.00 0.00 H new ATOM 0 HB VAL A 73 5.871 3.009 5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.721 4.394 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.477 2.960 3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.719 2.998 3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.888 4.316 6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.851 2.915 6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.039 2.824 7.384 1.00 0.00 H new ATOM 1043 N GLN A 74 6.953 0.488 4.363 1.00 0.00 N ATOM 1044 CA GLN A 74 7.841 0.039 3.298 1.00 0.00 C ATOM 1045 C GLN A 74 7.625 -1.441 2.998 1.00 0.00 C ATOM 1046 O GLN A 74 7.670 -1.862 1.842 1.00 0.00 O ATOM 1047 CB GLN A 74 9.300 0.285 3.684 1.00 0.00 C ATOM 1048 CG GLN A 74 9.660 1.758 3.792 1.00 0.00 C ATOM 1049 CD GLN A 74 10.143 2.340 2.478 1.00 0.00 C ATOM 1050 OE1 GLN A 74 9.797 1.847 1.404 1.00 0.00 O ATOM 1051 NE2 GLN A 74 10.948 3.393 2.557 1.00 0.00 N ATOM 0 H GLN A 74 7.410 0.621 5.265 1.00 0.00 H new ATOM 0 HA GLN A 74 7.609 0.611 2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.502 -0.201 4.639 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.947 -0.186 2.944 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.789 2.317 4.134 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.436 1.884 4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 74 11.209 3.768 3.469 1.00 0.00 H new ATOM 0 HE22 GLN A 74 11.306 3.826 1.706 1.00 0.00 H new ATOM 1060 N GLN A 75 7.391 -2.224 4.046 1.00 0.00 N ATOM 1061 CA GLN A 75 7.170 -3.658 3.893 1.00 0.00 C ATOM 1062 C GLN A 75 5.827 -3.933 3.224 1.00 0.00 C ATOM 1063 O GLN A 75 5.744 -4.711 2.275 1.00 0.00 O ATOM 1064 CB GLN A 75 7.226 -4.351 5.255 1.00 0.00 C ATOM 1065 CG GLN A 75 8.620 -4.391 5.861 1.00 0.00 C ATOM 1066 CD GLN A 75 9.527 -5.390 5.172 1.00 0.00 C ATOM 1067 OE1 GLN A 75 9.958 -5.177 4.038 1.00 0.00 O ATOM 1068 NE2 GLN A 75 9.824 -6.490 5.855 1.00 0.00 N ATOM 0 H GLN A 75 7.349 -1.891 5.009 1.00 0.00 H new ATOM 0 HA GLN A 75 7.960 -4.057 3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.555 -3.837 5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.855 -5.371 5.150 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.067 -3.399 5.801 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.545 -4.643 6.919 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.445 -6.626 6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.431 -7.198 5.442 1.00 0.00 H new ATOM 1077 N ALA A 76 4.778 -3.289 3.727 1.00 0.00 N ATOM 1078 CA ALA A 76 3.440 -3.464 3.177 1.00 0.00 C ATOM 1079 C ALA A 76 3.409 -3.127 1.690 1.00 0.00 C ATOM 1080 O ALA A 76 2.856 -3.876 0.884 1.00 0.00 O ATOM 1081 CB ALA A 76 2.441 -2.602 3.935 1.00 0.00 C ATOM 0 H ALA A 76 4.830 -2.642 4.514 1.00 0.00 H new ATOM 0 HA ALA A 76 3.161 -4.512 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.446 -2.743 3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.434 -2.891 4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.726 -1.554 3.849 1.00 0.00 H new ATOM 1087 N LYS A 77 4.007 -1.996 1.331 1.00 0.00 N ATOM 1088 CA LYS A 77 4.050 -1.560 -0.060 1.00 0.00 C ATOM 1089 C LYS A 77 4.359 -2.730 -0.988 1.00 0.00 C ATOM 1090 O LYS A 77 3.750 -2.871 -2.048 1.00 0.00 O ATOM 1091 CB LYS A 77 5.100 -0.461 -0.239 1.00 0.00 C ATOM 1092 CG LYS A 77 5.712 -0.427 -1.628 1.00 0.00 C ATOM 1093 CD LYS A 77 6.850 0.577 -1.711 1.00 0.00 C ATOM 1094 CE LYS A 77 8.166 -0.034 -1.253 1.00 0.00 C ATOM 1095 NZ LYS A 77 9.195 1.008 -0.979 1.00 0.00 N ATOM 0 H LYS A 77 4.469 -1.364 1.985 1.00 0.00 H new ATOM 0 HA LYS A 77 3.069 -1.163 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.642 0.506 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.893 -0.604 0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.081 -1.419 -1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.945 -0.170 -2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.950 0.932 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.617 1.445 -1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.998 -0.625 -0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.535 -0.717 -2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.126 0.668 -1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.952 1.879 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.227 1.205 0.042 1.00 0.00 H new ATOM 1109 N GLU A 78 5.308 -3.567 -0.581 1.00 0.00 N ATOM 1110 CA GLU A 78 5.697 -4.726 -1.377 1.00 0.00 C ATOM 1111 C GLU A 78 4.571 -5.754 -1.428 1.00 0.00 C ATOM 1112 O GLU A 78 4.318 -6.362 -2.467 1.00 0.00 O ATOM 1113 CB GLU A 78 6.962 -5.366 -0.801 1.00 0.00 C ATOM 1114 CG GLU A 78 8.132 -4.405 -0.683 1.00 0.00 C ATOM 1115 CD GLU A 78 9.447 -5.115 -0.426 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.485 -5.986 0.468 1.00 0.00 O ATOM 1117 OE2 GLU A 78 10.438 -4.799 -1.118 1.00 0.00 O ATOM 0 H GLU A 78 5.821 -3.465 0.294 1.00 0.00 H new ATOM 0 HA GLU A 78 5.900 -4.386 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.736 -5.773 0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.254 -6.205 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.212 -3.821 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.939 -3.701 0.127 1.00 0.00 H new ATOM 1124 N MET A 79 3.898 -5.942 -0.297 1.00 0.00 N ATOM 1125 CA MET A 79 2.797 -6.895 -0.213 1.00 0.00 C ATOM 1126 C MET A 79 1.695 -6.543 -1.207 1.00 0.00 C ATOM 1127 O MET A 79 1.005 -7.423 -1.721 1.00 0.00 O ATOM 1128 CB MET A 79 2.229 -6.927 1.207 1.00 0.00 C ATOM 1129 CG MET A 79 2.943 -7.904 2.126 1.00 0.00 C ATOM 1130 SD MET A 79 1.864 -8.566 3.409 1.00 0.00 S ATOM 1131 CE MET A 79 1.140 -7.060 4.053 1.00 0.00 C ATOM 0 H MET A 79 4.096 -5.448 0.573 1.00 0.00 H new ATOM 0 HA MET A 79 3.185 -7.882 -0.463 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.290 -5.927 1.636 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.172 -7.191 1.161 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.344 -8.727 1.534 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.792 -7.404 2.593 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.131 -7.097 5.142 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.729 -6.204 3.724 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.119 -6.961 3.685 1.00 0.00 H new ATOM 1141 N VAL A 80 1.535 -5.250 -1.472 1.00 0.00 N ATOM 1142 CA VAL A 80 0.517 -4.782 -2.405 1.00 0.00 C ATOM 1143 C VAL A 80 1.042 -4.781 -3.837 1.00 0.00 C ATOM 1144 O VAL A 80 0.332 -5.158 -4.770 1.00 0.00 O ATOM 1145 CB VAL A 80 0.035 -3.364 -2.045 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -1.135 -2.957 -2.928 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.344 -3.288 -0.574 1.00 0.00 C ATOM 0 H VAL A 80 2.097 -4.509 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.323 -5.473 -2.330 1.00 0.00 H new ATOM 0 HB VAL A 80 0.852 -2.665 -2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.462 -1.953 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.824 -2.970 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.959 -3.657 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.682 -2.279 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.146 -3.997 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.524 -3.533 0.038 1.00 0.00 H new ATOM 1157 N LEU A 81 2.289 -4.355 -4.003 1.00 0.00 N ATOM 1158 CA LEU A 81 2.911 -4.305 -5.321 1.00 0.00 C ATOM 1159 C LEU A 81 3.025 -5.702 -5.923 1.00 0.00 C ATOM 1160 O LEU A 81 2.730 -5.906 -7.100 1.00 0.00 O ATOM 1161 CB LEU A 81 4.296 -3.663 -5.229 1.00 0.00 C ATOM 1162 CG LEU A 81 4.324 -2.137 -5.136 1.00 0.00 C ATOM 1163 CD1 LEU A 81 5.702 -1.652 -4.715 1.00 0.00 C ATOM 1164 CD2 LEU A 81 3.921 -1.514 -6.465 1.00 0.00 C ATOM 0 H LEU A 81 2.889 -4.039 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 81 2.279 -3.700 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.806 -4.070 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.873 -3.964 -6.103 1.00 0.00 H new ATOM 0 HG LEU A 81 3.605 -1.826 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.702 -0.564 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.953 -2.070 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.441 -1.974 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.947 -0.428 -6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.615 -1.834 -7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.912 -1.834 -6.726 1.00 0.00 H new ATOM 1176 N GLU A 82 3.452 -6.660 -5.106 1.00 0.00 N ATOM 1177 CA GLU A 82 3.602 -8.038 -5.559 1.00 0.00 C ATOM 1178 C GLU A 82 2.242 -8.669 -5.842 1.00 0.00 C ATOM 1179 O GLU A 82 2.144 -9.661 -6.566 1.00 0.00 O ATOM 1180 CB GLU A 82 4.352 -8.863 -4.511 1.00 0.00 C ATOM 1181 CG GLU A 82 4.778 -10.235 -5.008 1.00 0.00 C ATOM 1182 CD GLU A 82 4.908 -11.246 -3.886 1.00 0.00 C ATOM 1183 OE1 GLU A 82 5.083 -10.825 -2.723 1.00 0.00 O ATOM 1184 OE2 GLU A 82 4.835 -12.460 -4.171 1.00 0.00 O ATOM 0 H GLU A 82 3.700 -6.507 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 82 4.178 -8.029 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.236 -8.311 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.717 -8.985 -3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.051 -10.596 -5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.732 -10.149 -5.527 1.00 0.00 H new ATOM 1191 N LEU A 83 1.196 -8.088 -5.266 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.160 -8.593 -5.455 1.00 0.00 C ATOM 1193 C LEU A 83 -0.654 -8.310 -6.870 1.00 0.00 C ATOM 1194 O LEU A 83 -1.225 -9.183 -7.525 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.108 -7.960 -4.435 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.393 -8.735 -4.142 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.196 -8.938 -5.418 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.073 -10.074 -3.493 1.00 0.00 C ATOM 0 H LEU A 83 1.260 -7.267 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.144 -9.673 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.566 -7.827 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.380 -6.966 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.996 -8.151 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.107 -9.491 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.457 -7.968 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.600 -9.500 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.000 -10.611 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.450 -10.664 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.540 -9.907 -2.557 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.430 -7.086 -7.336 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.850 -6.689 -8.674 1.00 0.00 C ATOM 1212 C ILE A 84 0.180 -7.104 -9.719 1.00 0.00 C ATOM 1213 O ILE A 84 -0.142 -7.254 -10.897 1.00 0.00 O ATOM 1214 CB ILE A 84 -1.073 -5.168 -8.766 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.236 -4.421 -8.501 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -2.148 -4.730 -7.782 1.00 0.00 C ATOM 1217 CD1 ILE A 84 1.057 -4.181 -9.749 1.00 0.00 C ATOM 0 H ILE A 84 0.040 -6.352 -6.806 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.793 -7.199 -8.873 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.410 -4.925 -9.774 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.010 -3.462 -8.034 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.832 -4.990 -7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.294 -3.653 -7.859 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.083 -5.241 -8.013 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.838 -4.983 -6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.970 -3.647 -9.487 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.314 -5.137 -10.205 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.479 -3.585 -10.456 1.00 0.00 H new