USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 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 66 MET CE :methyl -146:sc= -1.92 (180deg=-4.98!) USER MOD Set 1.2: A 77 GLN : amide:sc= -5.04! C(o=-7!,f=-8.8!) USER MOD Single : A 4 GLN : amide:sc= -0.54 K(o=-0.54,f=-2.2!) USER MOD Single : A 5 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.07) USER MOD Single : A 6 THR OG1 : rot 30:sc= 0.308 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 10 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-7!) USER MOD Single : A 22 SER OG : rot 172:sc= -0.43 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.203 (180deg=-0.698) USER MOD Single : A 51 GLN : amide:sc= -1.58 K(o=-1.6,f=-8.4!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.147 K(o=-0.15,f=-2!) USER MOD Single : A 60 MET CE :methyl -157:sc= -0.283 (180deg=-1.05) USER MOD Single : A 62 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.93) USER MOD Single : A 71 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.69) USER MOD Single : A 76 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.48) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 100:sc= -1.35 USER MOD Single : A 83 LYS NZ :NH3+ 145:sc= -0.0669 (180deg=-0.729) USER MOD Single : A 84 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.073) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -1.91! USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 3 3.363 5.802 -11.663 1.00 0.00 N ATOM 135 CA GLU A 3 3.261 4.705 -12.619 1.00 0.00 C ATOM 136 C GLU A 3 2.722 3.451 -11.940 1.00 0.00 C ATOM 137 O GLU A 3 2.877 3.279 -10.731 1.00 0.00 O ATOM 138 CB GLU A 3 4.626 4.416 -13.244 1.00 0.00 C ATOM 139 CG GLU A 3 5.150 5.550 -14.110 1.00 0.00 C ATOM 140 CD GLU A 3 6.094 5.067 -15.193 1.00 0.00 C ATOM 141 OE1 GLU A 3 7.256 4.744 -14.867 1.00 0.00 O ATOM 142 OE2 GLU A 3 5.673 5.011 -16.368 1.00 0.00 O ATOM 0 HA GLU A 3 2.568 5.000 -13.407 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.345 4.214 -12.450 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.556 3.511 -13.848 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.309 6.069 -14.571 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.666 6.275 -13.480 1.00 0.00 H new ATOM 149 N GLN A 4 2.087 2.582 -12.718 1.00 0.00 N ATOM 150 CA GLN A 4 1.524 1.348 -12.180 1.00 0.00 C ATOM 151 C GLN A 4 2.340 0.135 -12.613 1.00 0.00 C ATOM 152 O GLN A 4 2.684 -0.009 -13.786 1.00 0.00 O ATOM 153 CB GLN A 4 0.072 1.187 -12.631 1.00 0.00 C ATOM 154 CG GLN A 4 -0.768 0.347 -11.684 1.00 0.00 C ATOM 155 CD GLN A 4 -2.236 0.332 -12.062 1.00 0.00 C ATOM 156 OE1 GLN A 4 -2.759 -0.680 -12.528 1.00 0.00 O ATOM 157 NE2 GLN A 4 -2.908 1.460 -11.864 1.00 0.00 N ATOM 0 H GLN A 4 1.949 2.708 -13.721 1.00 0.00 H new ATOM 0 HA GLN A 4 1.557 1.411 -11.092 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.381 2.173 -12.728 1.00 0.00 H new ATOM 0 HB3 GLN A 4 0.056 0.730 -13.620 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.388 -0.675 -11.677 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.662 0.734 -10.670 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.433 2.275 -11.475 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.899 1.512 -12.101 1.00 0.00 H new ATOM 166 N HIS A 5 2.645 -0.737 -11.655 1.00 0.00 N ATOM 167 CA HIS A 5 3.419 -1.941 -11.935 1.00 0.00 C ATOM 168 C HIS A 5 2.773 -3.167 -11.297 1.00 0.00 C ATOM 169 O HIS A 5 2.306 -3.114 -10.160 1.00 0.00 O ATOM 170 CB HIS A 5 4.851 -1.782 -11.422 1.00 0.00 C ATOM 171 CG HIS A 5 5.570 -0.607 -12.009 1.00 0.00 C ATOM 172 ND1 HIS A 5 5.477 0.667 -11.491 1.00 0.00 N ATOM 173 CD2 HIS A 5 6.397 -0.518 -13.078 1.00 0.00 C ATOM 174 CE1 HIS A 5 6.214 1.489 -12.216 1.00 0.00 C ATOM 175 NE2 HIS A 5 6.782 0.796 -13.185 1.00 0.00 N ATOM 0 H HIS A 5 2.368 -0.631 -10.679 1.00 0.00 H new ATOM 0 HA HIS A 5 3.439 -2.085 -13.015 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.830 -1.680 -10.337 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.411 -2.690 -11.646 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.697 -1.329 -13.725 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.332 2.549 -12.045 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.406 1.175 -13.898 1.00 0.00 H new ATOM 184 N THR A 6 2.749 -4.271 -12.039 1.00 0.00 N ATOM 185 CA THR A 6 2.162 -5.512 -11.548 1.00 0.00 C ATOM 186 C THR A 6 3.238 -6.573 -11.337 1.00 0.00 C ATOM 187 O THR A 6 4.009 -6.878 -12.247 1.00 0.00 O ATOM 188 CB THR A 6 1.108 -6.026 -12.530 1.00 0.00 C ATOM 189 OG1 THR A 6 1.706 -6.388 -13.763 1.00 0.00 O ATOM 190 CG2 THR A 6 0.021 -5.016 -12.825 1.00 0.00 C ATOM 0 H THR A 6 3.130 -4.330 -12.983 1.00 0.00 H new ATOM 0 HA THR A 6 1.685 -5.307 -10.590 1.00 0.00 H new ATOM 0 HB THR A 6 0.655 -6.889 -12.042 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.623 -6.696 -13.604 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.693 -5.445 -13.528 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.493 -4.754 -11.900 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.465 -4.120 -13.260 1.00 0.00 H new ATOM 198 N VAL A 7 3.287 -7.130 -10.131 1.00 0.00 N ATOM 199 CA VAL A 7 4.270 -8.155 -9.803 1.00 0.00 C ATOM 200 C VAL A 7 3.603 -9.388 -9.199 1.00 0.00 C ATOM 201 O VAL A 7 2.555 -9.288 -8.560 1.00 0.00 O ATOM 202 CB VAL A 7 5.330 -7.620 -8.820 1.00 0.00 C ATOM 203 CG1 VAL A 7 4.684 -7.197 -7.508 1.00 0.00 C ATOM 204 CG2 VAL A 7 6.412 -8.662 -8.578 1.00 0.00 C ATOM 0 H VAL A 7 2.658 -6.889 -9.366 1.00 0.00 H new ATOM 0 HA VAL A 7 4.759 -8.435 -10.736 1.00 0.00 H new ATOM 0 HB VAL A 7 5.797 -6.742 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.450 -6.823 -6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.953 -6.411 -7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.185 -8.054 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.150 -8.265 -7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.963 -9.562 -8.157 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.899 -8.907 -9.522 1.00 0.00 H new ATOM 214 N THR A 8 4.218 -10.549 -9.406 1.00 0.00 N ATOM 215 CA THR A 8 3.685 -11.802 -8.882 1.00 0.00 C ATOM 216 C THR A 8 4.506 -12.284 -7.689 1.00 0.00 C ATOM 217 O THR A 8 5.684 -12.613 -7.825 1.00 0.00 O ATOM 218 CB THR A 8 3.677 -12.872 -9.974 1.00 0.00 C ATOM 219 OG1 THR A 8 4.717 -12.644 -10.909 1.00 0.00 O ATOM 220 CG2 THR A 8 2.375 -12.934 -10.743 1.00 0.00 C ATOM 0 H THR A 8 5.086 -10.648 -9.933 1.00 0.00 H new ATOM 0 HA THR A 8 2.662 -11.623 -8.550 1.00 0.00 H new ATOM 0 HB THR A 8 3.817 -13.818 -9.451 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.696 -13.340 -11.598 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.437 -13.714 -11.502 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.558 -13.159 -10.058 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.191 -11.973 -11.224 1.00 0.00 H new ATOM 228 N LEU A 9 3.875 -12.322 -6.519 1.00 0.00 N ATOM 229 CA LEU A 9 4.548 -12.764 -5.302 1.00 0.00 C ATOM 230 C LEU A 9 4.080 -14.156 -4.893 1.00 0.00 C ATOM 231 O LEU A 9 2.918 -14.349 -4.534 1.00 0.00 O ATOM 232 CB LEU A 9 4.293 -11.774 -4.163 1.00 0.00 C ATOM 233 CG LEU A 9 4.374 -10.296 -4.557 1.00 0.00 C ATOM 234 CD1 LEU A 9 3.285 -9.494 -3.858 1.00 0.00 C ATOM 235 CD2 LEU A 9 5.748 -9.732 -4.228 1.00 0.00 C ATOM 0 H LEU A 9 2.900 -12.052 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 9 5.618 -12.806 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.305 -11.969 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.016 -11.963 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 9 4.218 -10.218 -5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.360 -8.447 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.307 -9.882 -4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.407 -9.578 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.788 -8.681 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.932 -9.824 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.510 -10.287 -4.776 1.00 0.00 H new ATOM 247 N HIS A 10 4.989 -15.123 -4.950 1.00 0.00 N ATOM 248 CA HIS A 10 4.664 -16.497 -4.582 1.00 0.00 C ATOM 249 C HIS A 10 4.605 -16.656 -3.066 1.00 0.00 C ATOM 250 O HIS A 10 5.520 -16.246 -2.352 1.00 0.00 O ATOM 251 CB HIS A 10 5.692 -17.466 -5.172 1.00 0.00 C ATOM 252 CG HIS A 10 7.113 -17.104 -4.863 1.00 0.00 C ATOM 253 ND1 HIS A 10 7.461 -16.082 -4.005 1.00 0.00 N ATOM 254 CD2 HIS A 10 8.277 -17.636 -5.303 1.00 0.00 C ATOM 255 CE1 HIS A 10 8.778 -16.001 -3.932 1.00 0.00 C ATOM 256 NE2 HIS A 10 9.296 -16.933 -4.709 1.00 0.00 N ATOM 0 H HIS A 10 5.955 -14.982 -5.247 1.00 0.00 H new ATOM 0 HA HIS A 10 3.681 -16.732 -4.991 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.492 -18.468 -4.793 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.563 -17.503 -6.254 1.00 0.00 H new ATOM 0 HD1 HIS A 10 6.805 -15.482 -3.505 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.384 -18.460 -5.993 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.335 -15.292 -3.337 1.00 0.00 H new ATOM 265 N ARG A 11 3.520 -17.250 -2.581 1.00 0.00 N ATOM 266 CA ARG A 11 3.340 -17.461 -1.149 1.00 0.00 C ATOM 267 C ARG A 11 4.462 -18.324 -0.578 1.00 0.00 C ATOM 268 O ARG A 11 4.700 -19.438 -1.045 1.00 0.00 O ATOM 269 CB ARG A 11 1.987 -18.118 -0.872 1.00 0.00 C ATOM 270 CG ARG A 11 0.801 -17.271 -1.304 1.00 0.00 C ATOM 271 CD ARG A 11 -0.241 -17.163 -0.201 1.00 0.00 C ATOM 272 NE ARG A 11 -0.780 -18.468 0.173 1.00 0.00 N ATOM 273 CZ ARG A 11 -1.421 -18.707 1.314 1.00 0.00 C ATOM 274 NH1 ARG A 11 -1.601 -17.735 2.199 1.00 0.00 N ATOM 275 NH2 ARG A 11 -1.883 -19.923 1.573 1.00 0.00 N ATOM 0 H ARG A 11 2.752 -17.594 -3.158 1.00 0.00 H new ATOM 0 HA ARG A 11 3.370 -16.487 -0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.945 -19.077 -1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.905 -18.326 0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.146 -16.274 -1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.346 -17.707 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.205 -16.691 0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.054 -16.517 -0.532 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.658 -19.242 -0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.247 -16.798 2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.093 -17.925 3.072 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.747 -20.675 0.897 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.374 -20.106 2.448 1.00 0.00 H new ATOM 289 N ALA A 12 5.147 -17.802 0.434 1.00 0.00 N ATOM 290 CA ALA A 12 6.243 -18.523 1.071 1.00 0.00 C ATOM 291 C ALA A 12 5.869 -18.948 2.488 1.00 0.00 C ATOM 292 O ALA A 12 4.963 -18.379 3.096 1.00 0.00 O ATOM 293 CB ALA A 12 7.498 -17.665 1.088 1.00 0.00 C ATOM 0 H ALA A 12 4.962 -16.881 0.831 1.00 0.00 H new ATOM 0 HA ALA A 12 6.441 -19.424 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.308 -18.215 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.782 -17.416 0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.304 -16.748 1.644 1.00 0.00 H new ATOM 299 N PRO A 13 6.567 -19.958 3.036 1.00 0.00 N ATOM 300 CA PRO A 13 6.303 -20.456 4.390 1.00 0.00 C ATOM 301 C PRO A 13 6.581 -19.400 5.456 1.00 0.00 C ATOM 302 O PRO A 13 7.426 -18.525 5.271 1.00 0.00 O ATOM 303 CB PRO A 13 7.269 -21.636 4.540 1.00 0.00 C ATOM 304 CG PRO A 13 8.336 -21.394 3.528 1.00 0.00 C ATOM 305 CD PRO A 13 7.665 -20.690 2.383 1.00 0.00 C ATOM 0 HA PRO A 13 5.257 -20.732 4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.683 -21.681 5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.763 -22.585 4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.139 -20.785 3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.784 -22.332 3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.349 -20.015 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.293 -21.395 1.639 1.00 0.00 H new ATOM 313 N GLY A 14 5.862 -19.488 6.570 1.00 0.00 N ATOM 314 CA GLY A 14 6.044 -18.533 7.647 1.00 0.00 C ATOM 315 C GLY A 14 5.045 -17.393 7.583 1.00 0.00 C ATOM 316 O GLY A 14 4.449 -17.024 8.594 1.00 0.00 O ATOM 0 H GLY A 14 5.157 -20.203 6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.946 -19.045 8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.056 -18.129 7.604 1.00 0.00 H new ATOM 320 N PHE A 15 4.863 -16.839 6.389 1.00 0.00 N ATOM 321 CA PHE A 15 3.929 -15.736 6.192 1.00 0.00 C ATOM 322 C PHE A 15 3.061 -15.979 4.963 1.00 0.00 C ATOM 323 O PHE A 15 1.859 -16.225 5.079 1.00 0.00 O ATOM 324 CB PHE A 15 4.689 -14.415 6.048 1.00 0.00 C ATOM 325 CG PHE A 15 5.657 -14.158 7.166 1.00 0.00 C ATOM 326 CD1 PHE A 15 6.903 -14.766 7.175 1.00 0.00 C ATOM 327 CD2 PHE A 15 5.322 -13.308 8.209 1.00 0.00 C ATOM 328 CE1 PHE A 15 7.796 -14.530 8.203 1.00 0.00 C ATOM 329 CE2 PHE A 15 6.212 -13.070 9.239 1.00 0.00 C ATOM 330 CZ PHE A 15 7.451 -13.681 9.237 1.00 0.00 C ATOM 0 H PHE A 15 5.350 -17.136 5.543 1.00 0.00 H new ATOM 0 HA PHE A 15 3.281 -15.676 7.066 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.231 -14.417 5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.972 -13.595 6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.179 -15.431 6.370 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.355 -12.827 8.216 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.764 -15.009 8.198 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.939 -12.406 10.046 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.148 -13.496 10.041 1.00 0.00 H new ATOM 340 N GLY A 16 3.675 -15.916 3.785 1.00 0.00 N ATOM 341 CA GLY A 16 2.939 -16.141 2.553 1.00 0.00 C ATOM 342 C GLY A 16 2.945 -14.935 1.633 1.00 0.00 C ATOM 343 O GLY A 16 3.803 -14.818 0.758 1.00 0.00 O ATOM 0 H GLY A 16 4.667 -15.714 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.370 -16.994 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.909 -16.403 2.794 1.00 0.00 H new ATOM 347 N PHE A 17 1.981 -14.042 1.826 1.00 0.00 N ATOM 348 CA PHE A 17 1.869 -12.844 0.999 1.00 0.00 C ATOM 349 C PHE A 17 3.105 -11.960 1.138 1.00 0.00 C ATOM 350 O PHE A 17 3.556 -11.352 0.168 1.00 0.00 O ATOM 351 CB PHE A 17 0.616 -12.048 1.378 1.00 0.00 C ATOM 352 CG PHE A 17 -0.577 -12.911 1.681 1.00 0.00 C ATOM 353 CD1 PHE A 17 -1.002 -13.870 0.776 1.00 0.00 C ATOM 354 CD2 PHE A 17 -1.272 -12.762 2.871 1.00 0.00 C ATOM 355 CE1 PHE A 17 -2.096 -14.668 1.054 1.00 0.00 C ATOM 356 CE2 PHE A 17 -2.367 -13.555 3.153 1.00 0.00 C ATOM 357 CZ PHE A 17 -2.780 -14.509 2.243 1.00 0.00 C ATOM 0 H PHE A 17 1.265 -14.124 2.548 1.00 0.00 H new ATOM 0 HA PHE A 17 1.790 -13.164 -0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.838 -11.431 2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.366 -11.370 0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.473 -13.996 -0.157 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.954 -12.017 3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.415 -15.415 0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.900 -13.429 4.084 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.637 -15.130 2.461 1.00 0.00 H new ATOM 367 N GLY A 18 3.649 -11.893 2.348 1.00 0.00 N ATOM 368 CA GLY A 18 4.827 -11.077 2.586 1.00 0.00 C ATOM 369 C GLY A 18 4.483 -9.670 3.037 1.00 0.00 C ATOM 370 O GLY A 18 5.294 -9.003 3.680 1.00 0.00 O ATOM 0 H GLY A 18 3.297 -12.388 3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.448 -11.555 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.420 -11.027 1.673 1.00 0.00 H new ATOM 374 N ILE A 19 3.280 -9.215 2.700 1.00 0.00 N ATOM 375 CA ILE A 19 2.835 -7.878 3.075 1.00 0.00 C ATOM 376 C ILE A 19 1.426 -7.913 3.658 1.00 0.00 C ATOM 377 O ILE A 19 0.762 -8.949 3.641 1.00 0.00 O ATOM 378 CB ILE A 19 2.855 -6.922 1.867 1.00 0.00 C ATOM 379 CG1 ILE A 19 2.128 -7.552 0.675 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.287 -6.562 1.496 1.00 0.00 C ATOM 381 CD1 ILE A 19 1.060 -6.660 0.081 1.00 0.00 C ATOM 0 H ILE A 19 2.596 -9.753 2.168 1.00 0.00 H new ATOM 0 HA ILE A 19 3.530 -7.512 3.831 1.00 0.00 H new ATOM 0 HB ILE A 19 2.333 -6.005 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.857 -7.797 -0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.672 -8.490 0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.282 -5.886 0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.770 -6.073 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.835 -7.468 1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.586 -7.169 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.310 -6.436 0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.513 -5.732 -0.267 1.00 0.00 H new ATOM 393 N ALA A 20 0.976 -6.774 4.173 1.00 0.00 N ATOM 394 CA ALA A 20 -0.354 -6.673 4.762 1.00 0.00 C ATOM 395 C ALA A 20 -1.114 -5.476 4.199 1.00 0.00 C ATOM 396 O ALA A 20 -0.641 -4.342 4.267 1.00 0.00 O ATOM 397 CB ALA A 20 -0.256 -6.575 6.277 1.00 0.00 C ATOM 0 H ALA A 20 1.513 -5.907 4.194 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.908 -7.576 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.257 -6.500 6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.239 -7.464 6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.320 -5.690 6.548 1.00 0.00 H new ATOM 403 N ILE A 21 -2.293 -5.735 3.645 1.00 0.00 N ATOM 404 CA ILE A 21 -3.116 -4.677 3.070 1.00 0.00 C ATOM 405 C ILE A 21 -3.838 -3.889 4.158 1.00 0.00 C ATOM 406 O ILE A 21 -4.050 -4.388 5.264 1.00 0.00 O ATOM 407 CB ILE A 21 -4.158 -5.246 2.088 1.00 0.00 C ATOM 408 CG1 ILE A 21 -5.060 -6.262 2.793 1.00 0.00 C ATOM 409 CG2 ILE A 21 -3.466 -5.882 0.891 1.00 0.00 C ATOM 410 CD1 ILE A 21 -6.448 -5.735 3.086 1.00 0.00 C ATOM 0 H ILE A 21 -2.700 -6.668 3.582 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.443 -4.012 2.529 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.781 -4.427 1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.142 -7.155 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.590 -6.566 3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.215 -6.279 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.866 -5.131 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.820 -6.691 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.032 -6.507 3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.376 -4.860 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.937 -5.458 2.152 1.00 0.00 H new ATOM 422 N SER A 22 -4.215 -2.656 3.837 1.00 0.00 N ATOM 423 CA SER A 22 -4.913 -1.797 4.787 1.00 0.00 C ATOM 424 C SER A 22 -6.013 -0.999 4.094 1.00 0.00 C ATOM 425 O SER A 22 -5.846 -0.548 2.959 1.00 0.00 O ATOM 426 CB SER A 22 -3.926 -0.846 5.467 1.00 0.00 C ATOM 427 OG SER A 22 -4.162 -0.779 6.863 1.00 0.00 O ATOM 0 H SER A 22 -4.049 -2.229 2.926 1.00 0.00 H new ATOM 0 HA SER A 22 -5.373 -2.433 5.543 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.906 -1.183 5.283 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.016 0.149 5.032 1.00 0.00 H new ATOM 0 HG SER A 22 -3.443 -0.270 7.292 1.00 0.00 H new ATOM 433 N GLY A 23 -7.137 -0.829 4.782 1.00 0.00 N ATOM 434 CA GLY A 23 -8.249 -0.084 4.218 1.00 0.00 C ATOM 435 C GLY A 23 -9.555 -0.849 4.296 1.00 0.00 C ATOM 436 O GLY A 23 -9.715 -1.733 5.138 1.00 0.00 O ATOM 0 H GLY A 23 -7.298 -1.194 5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.354 0.863 4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.032 0.155 3.177 1.00 0.00 H new ATOM 440 N GLY A 24 -10.490 -0.510 3.415 1.00 0.00 N ATOM 441 CA GLY A 24 -11.777 -1.182 3.403 1.00 0.00 C ATOM 442 C GLY A 24 -12.917 -0.248 3.050 1.00 0.00 C ATOM 443 O GLY A 24 -13.278 0.627 3.837 1.00 0.00 O ATOM 0 H GLY A 24 -10.380 0.218 2.709 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.748 -2.002 2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.962 -1.622 4.383 1.00 0.00 H new ATOM 447 N ARG A 25 -13.484 -0.432 1.863 1.00 0.00 N ATOM 448 CA ARG A 25 -14.590 0.401 1.404 1.00 0.00 C ATOM 449 C ARG A 25 -15.875 0.087 2.170 1.00 0.00 C ATOM 450 O ARG A 25 -16.743 0.945 2.322 1.00 0.00 O ATOM 451 CB ARG A 25 -14.807 0.211 -0.104 1.00 0.00 C ATOM 452 CG ARG A 25 -15.590 -1.045 -0.469 1.00 0.00 C ATOM 453 CD ARG A 25 -16.959 -0.707 -1.041 1.00 0.00 C ATOM 454 NE ARG A 25 -18.034 -0.988 -0.091 1.00 0.00 N ATOM 455 CZ ARG A 25 -19.251 -0.456 -0.170 1.00 0.00 C ATOM 456 NH1 ARG A 25 -19.554 0.384 -1.152 1.00 0.00 N ATOM 457 NH2 ARG A 25 -20.169 -0.766 0.735 1.00 0.00 N ATOM 0 H ARG A 25 -13.196 -1.152 1.200 1.00 0.00 H new ATOM 0 HA ARG A 25 -14.331 1.442 1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.334 1.081 -0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.836 0.177 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.025 -1.628 -1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.709 -1.670 0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.986 0.347 -1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.122 -1.281 -1.953 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.840 -1.630 0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -18.852 0.625 -1.852 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.489 0.788 -1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -19.942 -1.412 1.491 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -21.102 -0.359 0.675 1.00 0.00 H new ATOM 613 N SER A 36 -8.694 4.005 -1.337 1.00 0.00 N ATOM 614 CA SER A 36 -7.733 3.081 -1.927 1.00 0.00 C ATOM 615 C SER A 36 -6.976 2.319 -0.845 1.00 0.00 C ATOM 616 O SER A 36 -6.602 2.887 0.182 1.00 0.00 O ATOM 617 CB SER A 36 -6.746 3.840 -2.818 1.00 0.00 C ATOM 618 OG SER A 36 -5.687 2.997 -3.238 1.00 0.00 O ATOM 0 HA SER A 36 -8.283 2.362 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.268 4.236 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.342 4.694 -2.274 1.00 0.00 H new ATOM 0 HG SER A 36 -5.071 3.504 -3.807 1.00 0.00 H new ATOM 624 N ILE A 37 -6.755 1.030 -1.079 1.00 0.00 N ATOM 625 CA ILE A 37 -6.043 0.191 -0.123 1.00 0.00 C ATOM 626 C ILE A 37 -4.557 0.533 -0.091 1.00 0.00 C ATOM 627 O ILE A 37 -3.949 0.792 -1.130 1.00 0.00 O ATOM 628 CB ILE A 37 -6.209 -1.305 -0.456 1.00 0.00 C ATOM 629 CG1 ILE A 37 -7.683 -1.639 -0.687 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.632 -2.164 0.659 1.00 0.00 C ATOM 631 CD1 ILE A 37 -8.569 -1.317 0.497 1.00 0.00 C ATOM 0 H ILE A 37 -7.059 0.544 -1.923 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.478 0.387 0.857 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.661 -1.520 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.040 -1.089 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.774 -2.700 -0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.757 -3.217 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.571 -1.943 0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.154 -1.948 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.600 -1.580 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.238 -1.887 1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.508 -0.251 0.718 1.00 0.00 H new ATOM 643 N VAL A 38 -3.980 0.535 1.106 1.00 0.00 N ATOM 644 CA VAL A 38 -2.566 0.845 1.273 1.00 0.00 C ATOM 645 C VAL A 38 -1.852 -0.248 2.061 1.00 0.00 C ATOM 646 O VAL A 38 -2.489 -1.064 2.728 1.00 0.00 O ATOM 647 CB VAL A 38 -2.366 2.193 1.995 1.00 0.00 C ATOM 648 CG1 VAL A 38 -2.476 3.347 1.012 1.00 0.00 C ATOM 649 CG2 VAL A 38 -3.367 2.350 3.131 1.00 0.00 C ATOM 0 H VAL A 38 -4.471 0.325 1.975 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.138 0.909 0.273 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.364 2.207 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.332 4.290 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.712 3.243 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.463 3.338 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.208 3.308 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.380 2.312 2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.231 1.542 3.850 1.00 0.00 H new ATOM 659 N ILE A 39 -0.524 -0.260 1.981 1.00 0.00 N ATOM 660 CA ILE A 39 0.275 -1.252 2.688 1.00 0.00 C ATOM 661 C ILE A 39 0.411 -0.897 4.165 1.00 0.00 C ATOM 662 O ILE A 39 1.089 0.067 4.522 1.00 0.00 O ATOM 663 CB ILE A 39 1.681 -1.385 2.073 1.00 0.00 C ATOM 664 CG1 ILE A 39 1.587 -1.535 0.553 1.00 0.00 C ATOM 665 CG2 ILE A 39 2.418 -2.569 2.683 1.00 0.00 C ATOM 666 CD1 ILE A 39 0.860 -2.787 0.112 1.00 0.00 C ATOM 0 H ILE A 39 0.020 0.407 1.433 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.247 -2.204 2.591 1.00 0.00 H new ATOM 0 HB ILE A 39 2.244 -0.478 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.077 -0.664 0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.593 -1.542 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.410 -2.649 2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.514 -2.423 3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.859 -3.484 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.832 -2.827 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.382 -3.664 0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.158 -2.773 0.501 1.00 0.00 H new ATOM 678 N SER A 40 -0.237 -1.682 5.018 1.00 0.00 N ATOM 679 CA SER A 40 -0.190 -1.452 6.458 1.00 0.00 C ATOM 680 C SER A 40 1.210 -1.709 7.006 1.00 0.00 C ATOM 681 O SER A 40 1.911 -0.781 7.410 1.00 0.00 O ATOM 682 CB SER A 40 -1.202 -2.348 7.172 1.00 0.00 C ATOM 683 OG SER A 40 -0.967 -2.370 8.569 1.00 0.00 O ATOM 0 H SER A 40 -0.802 -2.484 4.738 1.00 0.00 H new ATOM 0 HA SER A 40 -0.446 -0.408 6.642 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.212 -1.989 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.140 -3.361 6.774 1.00 0.00 H new ATOM 0 HG SER A 40 -1.628 -2.949 9.003 1.00 0.00 H new ATOM 689 N ASP A 41 1.611 -2.976 7.016 1.00 0.00 N ATOM 690 CA ASP A 41 2.927 -3.359 7.515 1.00 0.00 C ATOM 691 C ASP A 41 3.455 -4.582 6.771 1.00 0.00 C ATOM 692 O ASP A 41 2.681 -5.376 6.236 1.00 0.00 O ATOM 693 CB ASP A 41 2.862 -3.649 9.016 1.00 0.00 C ATOM 694 CG ASP A 41 3.160 -2.421 9.854 1.00 0.00 C ATOM 695 OD1 ASP A 41 4.265 -1.856 9.709 1.00 0.00 O ATOM 696 OD2 ASP A 41 2.289 -2.025 10.656 1.00 0.00 O ATOM 0 H ASP A 41 1.043 -3.756 6.684 1.00 0.00 H new ATOM 0 HA ASP A 41 3.610 -2.527 7.342 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.871 -4.026 9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.575 -4.436 9.263 1.00 0.00 H new ATOM 701 N VAL A 42 4.777 -4.726 6.738 1.00 0.00 N ATOM 702 CA VAL A 42 5.404 -5.852 6.055 1.00 0.00 C ATOM 703 C VAL A 42 6.392 -6.571 6.967 1.00 0.00 C ATOM 704 O VAL A 42 7.066 -5.948 7.786 1.00 0.00 O ATOM 705 CB VAL A 42 6.138 -5.397 4.780 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.154 -4.825 3.773 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.218 -4.381 5.119 1.00 0.00 C ATOM 0 H VAL A 42 5.433 -4.079 7.175 1.00 0.00 H new ATOM 0 HA VAL A 42 4.603 -6.539 5.780 1.00 0.00 H new ATOM 0 HB VAL A 42 6.618 -6.266 4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.691 -4.509 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.422 -5.587 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.642 -3.968 4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.726 -4.071 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.763 -3.512 5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.940 -4.831 5.801 1.00 0.00 H new ATOM 717 N LEU A 43 6.474 -7.889 6.814 1.00 0.00 N ATOM 718 CA LEU A 43 7.382 -8.698 7.621 1.00 0.00 C ATOM 719 C LEU A 43 8.834 -8.435 7.234 1.00 0.00 C ATOM 720 O LEU A 43 9.738 -8.548 8.062 1.00 0.00 O ATOM 721 CB LEU A 43 7.063 -10.186 7.456 1.00 0.00 C ATOM 722 CG LEU A 43 6.739 -10.627 6.024 1.00 0.00 C ATOM 723 CD1 LEU A 43 7.642 -11.776 5.597 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.274 -11.025 5.906 1.00 0.00 C ATOM 0 H LEU A 43 5.923 -8.420 6.139 1.00 0.00 H new ATOM 0 HA LEU A 43 7.244 -8.418 8.665 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.913 -10.766 7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.216 -10.433 8.096 1.00 0.00 H new ATOM 0 HG LEU A 43 6.921 -9.784 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.395 -12.073 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.683 -11.456 5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.495 -12.623 6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.062 -11.335 4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.065 -11.851 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.644 -10.174 6.165 1.00 0.00 H new ATOM 736 N LYS A 44 9.050 -8.085 5.969 1.00 0.00 N ATOM 737 CA LYS A 44 10.392 -7.807 5.469 1.00 0.00 C ATOM 738 C LYS A 44 11.253 -9.067 5.500 1.00 0.00 C ATOM 739 O LYS A 44 12.468 -8.999 5.693 1.00 0.00 O ATOM 740 CB LYS A 44 11.051 -6.698 6.295 1.00 0.00 C ATOM 741 CG LYS A 44 11.123 -5.363 5.570 1.00 0.00 C ATOM 742 CD LYS A 44 12.516 -4.759 5.647 1.00 0.00 C ATOM 743 CE LYS A 44 12.545 -3.352 5.072 1.00 0.00 C ATOM 744 NZ LYS A 44 11.496 -2.484 5.673 1.00 0.00 N ATOM 0 H LYS A 44 8.312 -7.987 5.272 1.00 0.00 H new ATOM 0 HA LYS A 44 10.307 -7.472 4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.495 -6.569 7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.059 -7.009 6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.842 -5.500 4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.402 -4.672 6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.847 -4.736 6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.218 -5.390 5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.526 -2.909 5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.403 -3.398 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.738 -1.485 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.578 -2.693 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.438 -2.666 6.695 1.00 0.00 H new ATOM 758 N GLY A 45 10.615 -10.217 5.307 1.00 0.00 N ATOM 759 CA GLY A 45 11.336 -11.476 5.315 1.00 0.00 C ATOM 760 C GLY A 45 10.707 -12.514 4.404 1.00 0.00 C ATOM 761 O GLY A 45 10.957 -13.710 4.551 1.00 0.00 O ATOM 0 H GLY A 45 9.611 -10.299 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.366 -11.302 5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.371 -11.864 6.333 1.00 0.00 H new ATOM 765 N GLY A 46 9.888 -12.055 3.462 1.00 0.00 N ATOM 766 CA GLY A 46 9.236 -12.967 2.540 1.00 0.00 C ATOM 767 C GLY A 46 9.428 -12.561 1.090 1.00 0.00 C ATOM 768 O GLY A 46 10.430 -11.931 0.749 1.00 0.00 O ATOM 0 H GLY A 46 9.665 -11.070 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.630 -13.972 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.170 -13.006 2.765 1.00 0.00 H new ATOM 772 N PRO A 47 8.479 -12.910 0.206 1.00 0.00 N ATOM 773 CA PRO A 47 8.563 -12.570 -1.218 1.00 0.00 C ATOM 774 C PRO A 47 8.357 -11.081 -1.474 1.00 0.00 C ATOM 775 O PRO A 47 8.840 -10.540 -2.469 1.00 0.00 O ATOM 776 CB PRO A 47 7.428 -13.382 -1.844 1.00 0.00 C ATOM 777 CG PRO A 47 6.443 -13.569 -0.742 1.00 0.00 C ATOM 778 CD PRO A 47 7.251 -13.663 0.525 1.00 0.00 C ATOM 0 HA PRO A 47 9.546 -12.795 -1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.983 -12.855 -2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.787 -14.340 -2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.744 -12.734 -0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.852 -14.472 -0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.721 -13.227 1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.471 -14.698 0.785 1.00 0.00 H new ATOM 786 N ALA A 48 7.634 -10.422 -0.573 1.00 0.00 N ATOM 787 CA ALA A 48 7.364 -8.995 -0.705 1.00 0.00 C ATOM 788 C ALA A 48 8.032 -8.201 0.413 1.00 0.00 C ATOM 789 O ALA A 48 7.496 -7.195 0.879 1.00 0.00 O ATOM 790 CB ALA A 48 5.863 -8.743 -0.708 1.00 0.00 C ATOM 0 H ALA A 48 7.225 -10.854 0.256 1.00 0.00 H new ATOM 0 HA ALA A 48 7.783 -8.658 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.674 -7.674 -0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.407 -9.271 -1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.432 -9.103 0.226 1.00 0.00 H new ATOM 796 N GLU A 49 9.204 -8.659 0.839 1.00 0.00 N ATOM 797 CA GLU A 49 9.945 -7.990 1.903 1.00 0.00 C ATOM 798 C GLU A 49 10.290 -6.556 1.513 1.00 0.00 C ATOM 799 O GLU A 49 10.316 -5.662 2.358 1.00 0.00 O ATOM 800 CB GLU A 49 11.225 -8.764 2.226 1.00 0.00 C ATOM 801 CG GLU A 49 12.049 -9.119 0.999 1.00 0.00 C ATOM 802 CD GLU A 49 13.533 -9.203 1.297 1.00 0.00 C ATOM 803 OE1 GLU A 49 14.174 -8.139 1.430 1.00 0.00 O ATOM 804 OE2 GLU A 49 14.055 -10.333 1.399 1.00 0.00 O ATOM 0 H GLU A 49 9.661 -9.490 0.464 1.00 0.00 H new ATOM 0 HA GLU A 49 9.310 -7.962 2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.837 -8.170 2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.962 -9.681 2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.708 -10.075 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.880 -8.372 0.224 1.00 0.00 H new ATOM 811 N GLY A 50 10.556 -6.345 0.228 1.00 0.00 N ATOM 812 CA GLY A 50 10.897 -5.017 -0.249 1.00 0.00 C ATOM 813 C GLY A 50 10.287 -4.713 -1.603 1.00 0.00 C ATOM 814 O GLY A 50 10.833 -3.925 -2.375 1.00 0.00 O ATOM 0 H GLY A 50 10.542 -7.069 -0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.556 -4.276 0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.981 -4.925 -0.313 1.00 0.00 H new ATOM 818 N GLN A 51 9.152 -5.340 -1.893 1.00 0.00 N ATOM 819 CA GLN A 51 8.467 -5.133 -3.164 1.00 0.00 C ATOM 820 C GLN A 51 7.226 -4.267 -2.978 1.00 0.00 C ATOM 821 O GLN A 51 6.925 -3.409 -3.806 1.00 0.00 O ATOM 822 CB GLN A 51 8.078 -6.477 -3.782 1.00 0.00 C ATOM 823 CG GLN A 51 9.232 -7.185 -4.473 1.00 0.00 C ATOM 824 CD GLN A 51 10.183 -7.843 -3.492 1.00 0.00 C ATOM 825 OE1 GLN A 51 9.820 -8.121 -2.350 1.00 0.00 O ATOM 826 NE2 GLN A 51 11.409 -8.094 -3.936 1.00 0.00 N ATOM 0 H GLN A 51 8.687 -5.996 -1.265 1.00 0.00 H new ATOM 0 HA GLN A 51 9.151 -4.616 -3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.680 -7.125 -3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.276 -6.318 -4.503 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.836 -7.940 -5.152 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.782 -6.467 -5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.666 -7.846 -4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.094 -8.535 -3.322 1.00 0.00 H new ATOM 835 N LEU A 52 6.509 -4.499 -1.883 1.00 0.00 N ATOM 836 CA LEU A 52 5.299 -3.741 -1.586 1.00 0.00 C ATOM 837 C LEU A 52 5.424 -3.020 -0.247 1.00 0.00 C ATOM 838 O LEU A 52 5.657 -3.645 0.788 1.00 0.00 O ATOM 839 CB LEU A 52 4.083 -4.670 -1.567 1.00 0.00 C ATOM 840 CG LEU A 52 3.821 -5.417 -2.875 1.00 0.00 C ATOM 841 CD1 LEU A 52 2.870 -6.582 -2.643 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.259 -4.470 -3.926 1.00 0.00 C ATOM 0 H LEU A 52 6.745 -5.206 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 52 5.165 -2.995 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.215 -5.401 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.199 -4.082 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 52 4.768 -5.814 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.695 -7.102 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.309 -7.273 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.923 -6.207 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.078 -5.018 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.322 -4.044 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.974 -3.669 -4.113 1.00 0.00 H new ATOM 854 N GLN A 53 5.267 -1.701 -0.275 1.00 0.00 N ATOM 855 CA GLN A 53 5.363 -0.893 0.936 1.00 0.00 C ATOM 856 C GLN A 53 4.426 0.309 0.863 1.00 0.00 C ATOM 857 O GLN A 53 3.802 0.560 -0.168 1.00 0.00 O ATOM 858 CB GLN A 53 6.802 -0.421 1.149 1.00 0.00 C ATOM 859 CG GLN A 53 7.333 0.447 0.020 1.00 0.00 C ATOM 860 CD GLN A 53 8.591 -0.116 -0.611 1.00 0.00 C ATOM 861 OE1 GLN A 53 9.705 0.220 -0.208 1.00 0.00 O ATOM 862 NE2 GLN A 53 8.420 -0.979 -1.605 1.00 0.00 N ATOM 0 H GLN A 53 5.073 -1.168 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 53 5.064 -1.514 1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.857 0.139 2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.448 -1.292 1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.564 0.551 -0.745 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.540 1.447 0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.478 -1.229 -1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.230 -1.392 -2.067 1.00 0.00 H new ATOM 871 N GLU A 54 4.332 1.048 1.965 1.00 0.00 N ATOM 872 CA GLU A 54 3.469 2.225 2.030 1.00 0.00 C ATOM 873 C GLU A 54 3.710 3.151 0.841 1.00 0.00 C ATOM 874 O GLU A 54 2.786 3.805 0.354 1.00 0.00 O ATOM 875 CB GLU A 54 3.708 2.981 3.340 1.00 0.00 C ATOM 876 CG GLU A 54 2.433 3.278 4.111 1.00 0.00 C ATOM 877 CD GLU A 54 1.782 4.580 3.685 1.00 0.00 C ATOM 878 OE1 GLU A 54 2.114 5.630 4.275 1.00 0.00 O ATOM 879 OE2 GLU A 54 0.942 4.549 2.762 1.00 0.00 O ATOM 0 H GLU A 54 4.843 0.853 2.826 1.00 0.00 H new ATOM 0 HA GLU A 54 2.433 1.887 1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.376 2.395 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.217 3.919 3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.727 2.460 3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.659 3.321 5.176 1.00 0.00 H new ATOM 886 N ASN A 55 4.953 3.200 0.375 1.00 0.00 N ATOM 887 CA ASN A 55 5.313 4.046 -0.757 1.00 0.00 C ATOM 888 C ASN A 55 4.629 3.566 -2.034 1.00 0.00 C ATOM 889 O ASN A 55 4.318 4.362 -2.920 1.00 0.00 O ATOM 890 CB ASN A 55 6.831 4.059 -0.950 1.00 0.00 C ATOM 891 CG ASN A 55 7.501 5.180 -0.181 1.00 0.00 C ATOM 892 OD1 ASN A 55 6.884 6.206 0.109 1.00 0.00 O ATOM 893 ND2 ASN A 55 8.772 4.991 0.153 1.00 0.00 N ATOM 0 H ASN A 55 5.729 2.664 0.764 1.00 0.00 H new ATOM 0 HA ASN A 55 4.973 5.060 -0.544 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.244 3.103 -0.627 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.059 4.163 -2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.276 5.711 0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.245 4.125 -0.108 1.00 0.00 H new ATOM 900 N ASP A 56 4.399 2.260 -2.122 1.00 0.00 N ATOM 901 CA ASP A 56 3.752 1.675 -3.291 1.00 0.00 C ATOM 902 C ASP A 56 2.251 1.525 -3.062 1.00 0.00 C ATOM 903 O ASP A 56 1.811 0.647 -2.319 1.00 0.00 O ATOM 904 CB ASP A 56 4.368 0.312 -3.614 1.00 0.00 C ATOM 905 CG ASP A 56 5.874 0.380 -3.769 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.531 1.028 -2.926 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.399 -0.215 -4.734 1.00 0.00 O ATOM 0 H ASP A 56 4.651 1.587 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 56 3.909 2.346 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.119 -0.393 -2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.928 -0.074 -4.534 1.00 0.00 H new ATOM 912 N ARG A 57 1.471 2.388 -3.704 1.00 0.00 N ATOM 913 CA ARG A 57 0.019 2.352 -3.571 1.00 0.00 C ATOM 914 C ARG A 57 -0.580 1.244 -4.432 1.00 0.00 C ATOM 915 O ARG A 57 -0.376 1.209 -5.645 1.00 0.00 O ATOM 916 CB ARG A 57 -0.582 3.703 -3.968 1.00 0.00 C ATOM 917 CG ARG A 57 -1.793 4.098 -3.138 1.00 0.00 C ATOM 918 CD ARG A 57 -2.301 5.479 -3.520 1.00 0.00 C ATOM 919 NE ARG A 57 -1.662 6.533 -2.736 1.00 0.00 N ATOM 920 CZ ARG A 57 -1.613 7.810 -3.109 1.00 0.00 C ATOM 921 NH1 ARG A 57 -2.165 8.197 -4.253 1.00 0.00 N ATOM 922 NH2 ARG A 57 -1.009 8.704 -2.337 1.00 0.00 N ATOM 0 H ARG A 57 1.820 3.121 -4.322 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.221 2.146 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.182 4.474 -3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.868 3.669 -5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.587 3.365 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.531 4.085 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.116 5.653 -4.580 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.380 5.522 -3.373 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.227 6.275 -1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.630 7.514 -4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.124 9.177 -4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.582 8.413 -1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.972 9.682 -2.623 1.00 0.00 H new ATOM 936 N VAL A 58 -1.322 0.341 -3.797 1.00 0.00 N ATOM 937 CA VAL A 58 -1.949 -0.767 -4.508 1.00 0.00 C ATOM 938 C VAL A 58 -3.264 -0.335 -5.149 1.00 0.00 C ATOM 939 O VAL A 58 -4.105 0.293 -4.506 1.00 0.00 O ATOM 940 CB VAL A 58 -2.207 -1.964 -3.569 1.00 0.00 C ATOM 941 CG1 VAL A 58 -3.115 -1.562 -2.418 1.00 0.00 C ATOM 942 CG2 VAL A 58 -2.799 -3.136 -4.340 1.00 0.00 C ATOM 0 H VAL A 58 -1.503 0.355 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.256 -1.076 -5.290 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.251 -2.280 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.283 -2.422 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.645 -0.762 -1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.069 -1.213 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.973 -3.969 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.744 -2.834 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.105 -3.445 -5.121 1.00 0.00 H new ATOM 952 N ALA A 59 -3.431 -0.672 -6.424 1.00 0.00 N ATOM 953 CA ALA A 59 -4.639 -0.317 -7.158 1.00 0.00 C ATOM 954 C ALA A 59 -5.439 -1.558 -7.545 1.00 0.00 C ATOM 955 O ALA A 59 -6.654 -1.491 -7.723 1.00 0.00 O ATOM 956 CB ALA A 59 -4.282 0.489 -8.397 1.00 0.00 C ATOM 0 H ALA A 59 -2.744 -1.191 -6.970 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.263 0.292 -6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.193 0.748 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.763 1.401 -8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.634 -0.104 -9.042 1.00 0.00 H new ATOM 962 N MET A 60 -4.753 -2.690 -7.676 1.00 0.00 N ATOM 963 CA MET A 60 -5.408 -3.939 -8.045 1.00 0.00 C ATOM 964 C MET A 60 -4.664 -5.141 -7.469 1.00 0.00 C ATOM 965 O MET A 60 -3.440 -5.126 -7.348 1.00 0.00 O ATOM 966 CB MET A 60 -5.496 -4.062 -9.567 1.00 0.00 C ATOM 967 CG MET A 60 -6.600 -4.994 -10.039 1.00 0.00 C ATOM 968 SD MET A 60 -6.587 -5.236 -11.826 1.00 0.00 S ATOM 969 CE MET A 60 -6.417 -3.548 -12.395 1.00 0.00 C ATOM 0 H MET A 60 -3.746 -2.767 -7.532 1.00 0.00 H new ATOM 0 HA MET A 60 -6.415 -3.926 -7.627 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.660 -3.073 -9.994 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.541 -4.421 -9.950 1.00 0.00 H new ATOM 0 HG2 MET A 60 -6.491 -5.959 -9.545 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.566 -4.589 -9.738 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.793 -3.468 -13.415 1.00 0.00 H new ATOM 0 HE2 MET A 60 -6.989 -2.886 -11.745 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.366 -3.260 -12.372 1.00 0.00 H new ATOM 979 N VAL A 61 -5.415 -6.180 -7.118 1.00 0.00 N ATOM 980 CA VAL A 61 -4.832 -7.394 -6.558 1.00 0.00 C ATOM 981 C VAL A 61 -5.432 -8.634 -7.215 1.00 0.00 C ATOM 982 O VAL A 61 -6.641 -8.861 -7.145 1.00 0.00 O ATOM 983 CB VAL A 61 -5.048 -7.475 -5.032 1.00 0.00 C ATOM 984 CG1 VAL A 61 -4.445 -8.754 -4.468 1.00 0.00 C ATOM 985 CG2 VAL A 61 -4.459 -6.254 -4.342 1.00 0.00 C ATOM 0 H VAL A 61 -6.430 -6.205 -7.212 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.761 -7.357 -6.758 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.121 -7.492 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.609 -8.790 -3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.919 -9.617 -4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.375 -8.773 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.621 -6.330 -3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.389 -6.202 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.944 -5.354 -4.719 1.00 0.00 H new ATOM 995 N ASN A 62 -4.583 -9.432 -7.854 1.00 0.00 N ATOM 996 CA ASN A 62 -5.033 -10.646 -8.524 1.00 0.00 C ATOM 997 C ASN A 62 -6.131 -10.334 -9.536 1.00 0.00 C ATOM 998 O ASN A 62 -7.026 -11.148 -9.769 1.00 0.00 O ATOM 999 CB ASN A 62 -5.543 -11.659 -7.498 1.00 0.00 C ATOM 1000 CG ASN A 62 -5.318 -13.093 -7.939 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -4.388 -13.384 -8.690 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -6.172 -13.996 -7.472 1.00 0.00 N ATOM 0 H ASN A 62 -3.580 -9.260 -7.922 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.184 -11.074 -9.057 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.040 -11.492 -6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.608 -11.497 -7.329 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.071 -14.977 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.929 -13.709 -6.851 1.00 0.00 H new ATOM 1009 N GLY A 63 -6.056 -9.149 -10.135 1.00 0.00 N ATOM 1010 CA GLY A 63 -7.048 -8.749 -11.116 1.00 0.00 C ATOM 1011 C GLY A 63 -8.256 -8.069 -10.496 1.00 0.00 C ATOM 1012 O GLY A 63 -9.218 -7.749 -11.194 1.00 0.00 O ATOM 0 H GLY A 63 -5.326 -8.459 -9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.587 -8.073 -11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.377 -9.628 -11.670 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.212 -7.847 -9.184 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.316 -7.202 -8.483 1.00 0.00 C ATOM 1018 C VAL A 64 -8.951 -5.780 -8.070 1.00 0.00 C ATOM 1019 O VAL A 64 -7.928 -5.554 -7.424 1.00 0.00 O ATOM 1020 CB VAL A 64 -9.729 -7.998 -7.232 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -11.006 -7.429 -6.633 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -9.899 -9.472 -7.569 1.00 0.00 C ATOM 0 H VAL A 64 -7.425 -8.104 -8.588 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.155 -7.171 -9.178 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.937 -7.908 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.282 -8.005 -5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.844 -6.389 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.809 -7.485 -7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.191 -10.019 -6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.671 -9.585 -8.330 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.957 -9.870 -7.946 1.00 0.00 H new ATOM 1032 N SER A 65 -9.793 -4.824 -8.448 1.00 0.00 N ATOM 1033 CA SER A 65 -9.561 -3.422 -8.119 1.00 0.00 C ATOM 1034 C SER A 65 -9.460 -3.224 -6.609 1.00 0.00 C ATOM 1035 O SER A 65 -10.169 -3.873 -5.839 1.00 0.00 O ATOM 1036 CB SER A 65 -10.682 -2.550 -8.685 1.00 0.00 C ATOM 1037 OG SER A 65 -10.174 -1.322 -9.178 1.00 0.00 O ATOM 0 H SER A 65 -10.644 -4.995 -8.984 1.00 0.00 H new ATOM 0 HA SER A 65 -8.615 -3.123 -8.570 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.193 -3.084 -9.486 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.423 -2.355 -7.909 1.00 0.00 H new ATOM 0 HG SER A 65 -10.910 -0.783 -9.536 1.00 0.00 H new ATOM 1043 N MET A 66 -8.574 -2.325 -6.192 1.00 0.00 N ATOM 1044 CA MET A 66 -8.380 -2.041 -4.775 1.00 0.00 C ATOM 1045 C MET A 66 -8.653 -0.572 -4.466 1.00 0.00 C ATOM 1046 O MET A 66 -8.112 -0.017 -3.509 1.00 0.00 O ATOM 1047 CB MET A 66 -6.955 -2.403 -4.352 1.00 0.00 C ATOM 1048 CG MET A 66 -6.704 -3.900 -4.281 1.00 0.00 C ATOM 1049 SD MET A 66 -7.341 -4.639 -2.764 1.00 0.00 S ATOM 1050 CE MET A 66 -8.326 -5.980 -3.430 1.00 0.00 C ATOM 0 H MET A 66 -7.979 -1.780 -6.816 1.00 0.00 H new ATOM 0 HA MET A 66 -9.088 -2.649 -4.212 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.252 -1.958 -5.056 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.751 -1.962 -3.376 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.169 -4.384 -5.140 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.633 -4.089 -4.351 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.200 -6.138 -2.798 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.649 -5.727 -4.440 1.00 0.00 H new ATOM 0 HE3 MET A 66 -7.729 -6.891 -3.458 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.498 0.053 -5.281 1.00 0.00 N ATOM 1061 CA ASP A 67 -9.844 1.458 -5.092 1.00 0.00 C ATOM 1062 C ASP A 67 -11.127 1.604 -4.275 1.00 0.00 C ATOM 1063 O ASP A 67 -11.447 2.692 -3.797 1.00 0.00 O ATOM 1064 CB ASP A 67 -10.006 2.152 -6.445 1.00 0.00 C ATOM 1065 CG ASP A 67 -9.458 3.566 -6.440 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -9.459 4.199 -5.363 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -9.027 4.040 -7.512 1.00 0.00 O ATOM 0 H ASP A 67 -9.955 -0.391 -6.078 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.031 1.932 -4.542 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.495 1.570 -7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.062 2.176 -6.714 1.00 0.00 H new ATOM 1072 N ASN A 68 -11.856 0.503 -4.119 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.101 0.511 -3.361 1.00 0.00 C ATOM 1074 C ASN A 68 -13.509 -0.908 -2.975 1.00 0.00 C ATOM 1075 O ASN A 68 -14.545 -1.409 -3.412 1.00 0.00 O ATOM 1076 CB ASN A 68 -14.215 1.175 -4.174 1.00 0.00 C ATOM 1077 CG ASN A 68 -14.453 0.484 -5.502 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -15.406 -0.280 -5.654 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -13.585 0.748 -6.472 1.00 0.00 N ATOM 0 H ASN A 68 -11.605 -0.406 -4.508 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.940 1.084 -2.448 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -15.138 1.168 -3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.958 2.219 -4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.694 0.311 -7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.809 1.388 -6.302 1.00 0.00 H new ATOM 1086 N VAL A 69 -12.686 -1.550 -2.152 1.00 0.00 N ATOM 1087 CA VAL A 69 -12.960 -2.911 -1.702 1.00 0.00 C ATOM 1088 C VAL A 69 -12.717 -3.051 -0.205 1.00 0.00 C ATOM 1089 O VAL A 69 -11.855 -2.378 0.360 1.00 0.00 O ATOM 1090 CB VAL A 69 -12.087 -3.936 -2.451 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -12.573 -4.109 -3.881 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -10.626 -3.515 -2.422 1.00 0.00 C ATOM 0 H VAL A 69 -11.823 -1.150 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 69 -14.009 -3.112 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.173 -4.898 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.944 -4.837 -4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.604 -4.462 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.520 -3.153 -4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.025 -4.251 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.518 -2.542 -2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.287 -3.450 -1.388 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.484 -3.927 0.438 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.348 -4.149 1.874 1.00 0.00 C ATOM 1104 C GLU A 70 -12.132 -5.020 2.181 1.00 0.00 C ATOM 1105 O GLU A 70 -11.770 -5.903 1.398 1.00 0.00 O ATOM 1106 CB GLU A 70 -14.619 -4.784 2.450 1.00 0.00 C ATOM 1107 CG GLU A 70 -15.069 -6.043 1.726 1.00 0.00 C ATOM 1108 CD GLU A 70 -16.539 -6.343 1.942 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -16.882 -6.893 3.009 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -17.347 -6.028 1.043 1.00 0.00 O ATOM 0 H GLU A 70 -14.204 -4.493 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.201 -3.179 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.449 -5.023 3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.425 -4.051 2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.877 -5.933 0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.474 -6.889 2.071 1.00 0.00 H new ATOM 1117 N HIS A 71 -11.499 -4.759 3.322 1.00 0.00 N ATOM 1118 CA HIS A 71 -10.315 -5.508 3.742 1.00 0.00 C ATOM 1119 C HIS A 71 -10.516 -7.011 3.568 1.00 0.00 C ATOM 1120 O HIS A 71 -9.660 -7.699 3.012 1.00 0.00 O ATOM 1121 CB HIS A 71 -9.977 -5.191 5.199 1.00 0.00 C ATOM 1122 CG HIS A 71 -11.069 -5.545 6.161 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -10.895 -6.426 7.207 1.00 0.00 N ATOM 1124 CD2 HIS A 71 -12.357 -5.131 6.231 1.00 0.00 C ATOM 1125 CE1 HIS A 71 -12.026 -6.538 7.879 1.00 0.00 C ATOM 1126 NE2 HIS A 71 -12.928 -5.763 7.307 1.00 0.00 N ATOM 0 H HIS A 71 -11.787 -4.031 3.976 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.485 -5.202 3.106 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -9.071 -5.729 5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.757 -4.127 5.289 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -12.843 -4.434 5.565 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -12.186 -7.158 8.749 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -13.894 -5.652 7.615 1.00 0.00 H new ATOM 1135 N ALA A 72 -11.649 -7.516 4.046 1.00 0.00 N ATOM 1136 CA ALA A 72 -11.956 -8.938 3.940 1.00 0.00 C ATOM 1137 C ALA A 72 -11.841 -9.417 2.495 1.00 0.00 C ATOM 1138 O ALA A 72 -11.255 -10.466 2.222 1.00 0.00 O ATOM 1139 CB ALA A 72 -13.350 -9.218 4.482 1.00 0.00 C ATOM 0 H ALA A 72 -12.369 -6.962 4.510 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.229 -9.488 4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.566 -10.283 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.400 -8.920 5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.084 -8.652 3.909 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.401 -8.637 1.576 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.360 -8.974 0.159 1.00 0.00 C ATOM 1147 C PHE A 73 -10.924 -8.975 -0.353 1.00 0.00 C ATOM 1148 O PHE A 73 -10.534 -9.837 -1.141 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.201 -7.982 -0.647 1.00 0.00 C ATOM 1150 CG PHE A 73 -14.154 -8.642 -1.602 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -13.682 -9.340 -2.701 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -15.523 -8.566 -1.398 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -14.556 -9.949 -3.581 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -16.402 -9.173 -2.274 1.00 0.00 C ATOM 1155 CZ PHE A 73 -15.918 -9.866 -3.367 1.00 0.00 C ATOM 0 H PHE A 73 -12.889 -7.767 1.788 1.00 0.00 H new ATOM 0 HA PHE A 73 -12.774 -9.974 0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.766 -7.353 0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -12.536 -7.324 -1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -12.618 -9.409 -2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -15.907 -8.026 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -14.175 -10.489 -4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -17.467 -9.106 -2.105 1.00 0.00 H new ATOM 0 HZ PHE A 73 -16.603 -10.342 -4.053 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.142 -8.002 0.102 1.00 0.00 N ATOM 1166 CA ALA A 74 -8.747 -7.889 -0.309 1.00 0.00 C ATOM 1167 C ALA A 74 -7.929 -9.079 0.184 1.00 0.00 C ATOM 1168 O ALA A 74 -7.233 -9.730 -0.592 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.150 -6.588 0.203 1.00 0.00 C ATOM 0 H ALA A 74 -10.450 -7.281 0.755 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.715 -7.887 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.109 -6.517 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.710 -5.746 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.203 -6.567 1.292 1.00 0.00 H new ATOM 1175 N VAL A 75 -8.017 -9.354 1.483 1.00 0.00 N ATOM 1176 CA VAL A 75 -7.281 -10.462 2.082 1.00 0.00 C ATOM 1177 C VAL A 75 -7.634 -11.788 1.415 1.00 0.00 C ATOM 1178 O VAL A 75 -6.752 -12.565 1.057 1.00 0.00 O ATOM 1179 CB VAL A 75 -7.558 -10.572 3.593 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -6.582 -11.540 4.246 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -7.487 -9.202 4.254 1.00 0.00 C ATOM 0 H VAL A 75 -8.590 -8.825 2.140 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.222 -10.253 1.928 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.567 -10.961 3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.793 -11.605 5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.690 -12.526 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.563 -11.183 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.686 -9.302 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.493 -8.779 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.231 -8.543 3.807 1.00 0.00 H new ATOM 1191 N GLN A 76 -8.927 -12.046 1.253 1.00 0.00 N ATOM 1192 CA GLN A 76 -9.379 -13.284 0.628 1.00 0.00 C ATOM 1193 C GLN A 76 -8.837 -13.406 -0.795 1.00 0.00 C ATOM 1194 O GLN A 76 -8.704 -14.509 -1.325 1.00 0.00 O ATOM 1195 CB GLN A 76 -10.907 -13.350 0.614 1.00 0.00 C ATOM 1196 CG GLN A 76 -11.554 -12.313 -0.290 1.00 0.00 C ATOM 1197 CD GLN A 76 -13.015 -12.611 -0.567 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -13.347 -13.315 -1.520 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -13.896 -12.073 0.268 1.00 0.00 N ATOM 0 H GLN A 76 -9.677 -11.419 1.544 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.995 -14.117 1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.216 -14.344 0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.277 -13.215 1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.469 -11.330 0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.011 -12.270 -1.234 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -13.575 -11.496 1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -14.894 -12.237 0.132 1.00 0.00 H new ATOM 1208 N GLN A 77 -8.528 -12.267 -1.408 1.00 0.00 N ATOM 1209 CA GLN A 77 -8.003 -12.251 -2.768 1.00 0.00 C ATOM 1210 C GLN A 77 -6.614 -12.880 -2.823 1.00 0.00 C ATOM 1211 O GLN A 77 -6.352 -13.759 -3.643 1.00 0.00 O ATOM 1212 CB GLN A 77 -7.948 -10.815 -3.298 1.00 0.00 C ATOM 1213 CG GLN A 77 -8.709 -10.617 -4.599 1.00 0.00 C ATOM 1214 CD GLN A 77 -9.984 -9.818 -4.414 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -9.954 -8.682 -3.940 1.00 0.00 O ATOM 1216 NE2 GLN A 77 -11.113 -10.409 -4.787 1.00 0.00 N ATOM 0 H GLN A 77 -8.632 -11.345 -0.985 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.672 -12.838 -3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.355 -10.142 -2.543 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.906 -10.532 -3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.067 -10.108 -5.317 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.953 -11.590 -5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.091 -11.352 -5.175 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.002 -9.920 -4.685 1.00 0.00 H new ATOM 1225 N LEU A 78 -5.728 -12.428 -1.941 1.00 0.00 N ATOM 1226 CA LEU A 78 -4.367 -12.958 -1.890 1.00 0.00 C ATOM 1227 C LEU A 78 -4.359 -14.364 -1.299 1.00 0.00 C ATOM 1228 O LEU A 78 -3.516 -15.190 -1.649 1.00 0.00 O ATOM 1229 CB LEU A 78 -3.431 -12.040 -1.088 1.00 0.00 C ATOM 1230 CG LEU A 78 -4.102 -11.128 -0.056 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -3.173 -10.883 1.123 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -4.505 -9.809 -0.698 1.00 0.00 C ATOM 0 H LEU A 78 -5.925 -11.700 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.996 -13.003 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.700 -12.662 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.879 -11.415 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.000 -11.624 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.666 -10.233 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.928 -11.834 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.258 -10.406 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.980 -9.172 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.619 -9.310 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.205 -9.999 -1.512 1.00 0.00 H new ATOM 1244 N ARG A 79 -5.305 -14.631 -0.402 1.00 0.00 N ATOM 1245 CA ARG A 79 -5.408 -15.939 0.234 1.00 0.00 C ATOM 1246 C ARG A 79 -5.809 -17.006 -0.782 1.00 0.00 C ATOM 1247 O ARG A 79 -5.421 -18.167 -0.663 1.00 0.00 O ATOM 1248 CB ARG A 79 -6.427 -15.900 1.375 1.00 0.00 C ATOM 1249 CG ARG A 79 -6.133 -14.836 2.421 1.00 0.00 C ATOM 1250 CD ARG A 79 -5.728 -15.450 3.753 1.00 0.00 C ATOM 1251 NE ARG A 79 -6.888 -15.885 4.532 1.00 0.00 N ATOM 1252 CZ ARG A 79 -7.311 -17.147 4.606 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -6.677 -18.112 3.951 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -8.373 -17.445 5.340 1.00 0.00 N ATOM 0 H ARG A 79 -6.010 -13.959 -0.100 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.429 -16.194 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.419 -15.723 0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.454 -16.876 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.335 -14.185 2.063 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.015 -14.211 2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.071 -16.301 3.575 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.157 -14.722 4.329 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.406 -15.177 5.052 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.858 -17.891 3.384 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.009 -19.074 4.014 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.865 -16.709 5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.698 -18.410 5.398 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.592 -16.601 -1.778 1.00 0.00 N ATOM 1269 CA LYS A 80 -7.050 -17.521 -2.814 1.00 0.00 C ATOM 1270 C LYS A 80 -5.883 -18.012 -3.667 1.00 0.00 C ATOM 1271 O LYS A 80 -5.933 -19.105 -4.232 1.00 0.00 O ATOM 1272 CB LYS A 80 -8.095 -16.842 -3.702 1.00 0.00 C ATOM 1273 CG LYS A 80 -9.137 -17.800 -4.257 1.00 0.00 C ATOM 1274 CD LYS A 80 -10.513 -17.156 -4.312 1.00 0.00 C ATOM 1275 CE LYS A 80 -11.514 -18.040 -5.039 1.00 0.00 C ATOM 1276 NZ LYS A 80 -12.918 -17.685 -4.697 1.00 0.00 N ATOM 0 H LYS A 80 -6.922 -15.642 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.503 -18.382 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.598 -16.064 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.589 -16.348 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.843 -18.119 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.178 -18.695 -3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.866 -16.962 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.445 -16.192 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.367 -17.946 -6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.330 -19.083 -4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.570 -18.310 -5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.066 -17.799 -3.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.101 -16.697 -4.965 1.00 0.00 H new ATOM 1290 N SER A 81 -4.835 -17.199 -3.759 1.00 0.00 N ATOM 1291 CA SER A 81 -3.658 -17.552 -4.545 1.00 0.00 C ATOM 1292 C SER A 81 -3.100 -18.908 -4.121 1.00 0.00 C ATOM 1293 O SER A 81 -3.278 -19.908 -4.816 1.00 0.00 O ATOM 1294 CB SER A 81 -2.581 -16.476 -4.398 1.00 0.00 C ATOM 1295 OG SER A 81 -2.924 -15.308 -5.124 1.00 0.00 O ATOM 0 H SER A 81 -4.777 -16.291 -3.299 1.00 0.00 H new ATOM 0 HA SER A 81 -3.959 -17.617 -5.591 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.452 -16.228 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.626 -16.862 -4.754 1.00 0.00 H new ATOM 0 HG SER A 81 -3.297 -14.640 -4.512 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.428 -18.935 -2.974 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.857 -20.174 -2.480 1.00 0.00 C ATOM 1303 C GLY A 82 -0.360 -20.258 -2.704 1.00 0.00 C ATOM 1304 O GLY A 82 0.375 -20.757 -1.852 1.00 0.00 O ATOM 0 H GLY A 82 -2.269 -18.122 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.067 -20.266 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.342 -21.016 -2.975 1.00 0.00 H new ATOM 1308 N LYS A 83 0.092 -19.769 -3.854 1.00 0.00 N ATOM 1309 CA LYS A 83 1.512 -19.793 -4.189 1.00 0.00 C ATOM 1310 C LYS A 83 1.798 -18.934 -5.417 1.00 0.00 C ATOM 1311 O LYS A 83 2.698 -19.236 -6.202 1.00 0.00 O ATOM 1312 CB LYS A 83 1.974 -21.231 -4.433 1.00 0.00 C ATOM 1313 CG LYS A 83 3.163 -21.642 -3.578 1.00 0.00 C ATOM 1314 CD LYS A 83 4.443 -21.713 -4.396 1.00 0.00 C ATOM 1315 CE LYS A 83 4.476 -22.952 -5.276 1.00 0.00 C ATOM 1316 NZ LYS A 83 4.200 -22.628 -6.702 1.00 0.00 N ATOM 0 H LYS A 83 -0.503 -19.352 -4.569 1.00 0.00 H new ATOM 0 HA LYS A 83 2.067 -19.380 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.144 -21.909 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.236 -21.346 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.290 -20.929 -2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.967 -22.613 -3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.528 -20.822 -5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.303 -21.718 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.453 -23.429 -5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.739 -23.671 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.764 -23.251 -7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.189 -22.770 -6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.454 -21.637 -6.888 1.00 0.00 H new ATOM 1330 N ASN A 84 1.026 -17.865 -5.578 1.00 0.00 N ATOM 1331 CA ASN A 84 1.195 -16.961 -6.711 1.00 0.00 C ATOM 1332 C ASN A 84 0.195 -15.811 -6.640 1.00 0.00 C ATOM 1333 O ASN A 84 -0.757 -15.752 -7.419 1.00 0.00 O ATOM 1334 CB ASN A 84 1.025 -17.721 -8.029 1.00 0.00 C ATOM 1335 CG ASN A 84 1.914 -17.177 -9.130 1.00 0.00 C ATOM 1336 OD1 ASN A 84 1.443 -16.860 -10.222 1.00 0.00 O ATOM 1337 ND2 ASN A 84 3.206 -17.065 -8.848 1.00 0.00 N ATOM 0 H ASN A 84 0.276 -17.603 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 84 2.203 -16.547 -6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.253 -18.775 -7.869 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.016 -17.665 -8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.852 -16.704 -9.550 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.553 -17.340 -7.929 1.00 0.00 H new ATOM 1344 N ALA A 85 0.418 -14.898 -5.700 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.462 -13.750 -5.527 1.00 0.00 C ATOM 1346 C ALA A 85 0.159 -12.492 -6.122 1.00 0.00 C ATOM 1347 O ALA A 85 1.140 -11.965 -5.595 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.773 -13.540 -4.052 1.00 0.00 C ATOM 0 H ALA A 85 1.201 -14.932 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.393 -13.952 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.431 -12.679 -3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.264 -14.428 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.154 -13.363 -3.506 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.413 -12.015 -7.222 1.00 0.00 N ATOM 1355 CA LYS A 86 0.093 -10.820 -7.885 1.00 0.00 C ATOM 1356 C LYS A 86 -0.593 -9.566 -7.346 1.00 0.00 C ATOM 1357 O LYS A 86 -1.802 -9.556 -7.117 1.00 0.00 O ATOM 1358 CB LYS A 86 -0.102 -10.926 -9.403 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.496 -10.542 -9.877 1.00 0.00 C ATOM 1360 CD LYS A 86 -1.849 -11.229 -11.186 1.00 0.00 C ATOM 1361 CE LYS A 86 -1.671 -10.296 -12.373 1.00 0.00 C ATOM 1362 NZ LYS A 86 -0.300 -10.383 -12.947 1.00 0.00 N ATOM 0 H LYS A 86 -1.225 -12.437 -7.672 1.00 0.00 H new ATOM 0 HA LYS A 86 1.160 -10.741 -7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.628 -10.286 -9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.108 -11.949 -9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.227 -10.811 -9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.553 -9.461 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.220 -12.109 -11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.881 -11.578 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.403 -10.543 -13.142 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.870 -9.270 -12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.220 -9.732 -13.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.398 -10.122 -12.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.119 -11.356 -13.268 1.00 0.00 H new ATOM 1376 N ILE A 87 0.191 -8.513 -7.147 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.336 -7.255 -6.634 1.00 0.00 C ATOM 1378 C ILE A 87 0.072 -6.085 -7.522 1.00 0.00 C ATOM 1379 O ILE A 87 1.238 -5.948 -7.890 1.00 0.00 O ATOM 1380 CB ILE A 87 0.151 -6.985 -5.197 1.00 0.00 C ATOM 1381 CG1 ILE A 87 -0.021 -8.236 -4.332 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -0.604 -5.810 -4.595 1.00 0.00 C ATOM 1383 CD1 ILE A 87 -1.466 -8.643 -4.137 1.00 0.00 C ATOM 0 H ILE A 87 1.194 -8.506 -7.333 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.422 -7.346 -6.632 1.00 0.00 H new ATOM 0 HB ILE A 87 1.211 -6.733 -5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.522 -9.062 -4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.433 -8.059 -3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.249 -5.631 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.435 -4.920 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.670 -6.036 -4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.511 -9.537 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.010 -7.833 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.919 -8.853 -5.106 1.00 0.00 H new ATOM 1395 N THR A 88 -0.897 -5.240 -7.860 1.00 0.00 N ATOM 1396 CA THR A 88 -0.639 -4.077 -8.701 1.00 0.00 C ATOM 1397 C THR A 88 -0.474 -2.825 -7.847 1.00 0.00 C ATOM 1398 O THR A 88 -1.415 -2.384 -7.187 1.00 0.00 O ATOM 1399 CB THR A 88 -1.779 -3.881 -9.702 1.00 0.00 C ATOM 1400 OG1 THR A 88 -1.981 -5.054 -10.469 1.00 0.00 O ATOM 1401 CG2 THR A 88 -1.539 -2.738 -10.665 1.00 0.00 C ATOM 0 H THR A 88 -1.868 -5.339 -7.564 1.00 0.00 H new ATOM 0 HA THR A 88 0.287 -4.250 -9.250 1.00 0.00 H new ATOM 0 HB THR A 88 -2.656 -3.649 -9.099 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.715 -4.909 -11.102 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.385 -2.653 -11.347 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.429 -1.809 -10.106 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.630 -2.928 -11.236 1.00 0.00 H new ATOM 1409 N ILE A 89 0.728 -2.259 -7.861 1.00 0.00 N ATOM 1410 CA ILE A 89 1.015 -1.062 -7.081 1.00 0.00 C ATOM 1411 C ILE A 89 1.591 0.046 -7.955 1.00 0.00 C ATOM 1412 O ILE A 89 2.112 -0.212 -9.040 1.00 0.00 O ATOM 1413 CB ILE A 89 1.999 -1.359 -5.933 1.00 0.00 C ATOM 1414 CG1 ILE A 89 3.315 -1.913 -6.484 1.00 0.00 C ATOM 1415 CG2 ILE A 89 1.382 -2.337 -4.945 1.00 0.00 C ATOM 1416 CD1 ILE A 89 4.267 -0.840 -6.967 1.00 0.00 C ATOM 0 H ILE A 89 1.518 -2.610 -8.403 1.00 0.00 H new ATOM 0 HA ILE A 89 0.066 -0.729 -6.660 1.00 0.00 H new ATOM 0 HB ILE A 89 2.211 -0.426 -5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.806 -2.500 -5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.097 -2.592 -7.308 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.090 -2.536 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.471 -1.907 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.143 -3.269 -5.457 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.178 -1.305 -7.344 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.795 -0.267 -7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.515 -0.174 -6.140 1.00 0.00 H new ATOM 1428 N ARG A 90 1.496 1.281 -7.471 1.00 0.00 N ATOM 1429 CA ARG A 90 2.012 2.431 -8.203 1.00 0.00 C ATOM 1430 C ARG A 90 2.796 3.355 -7.277 1.00 0.00 C ATOM 1431 O ARG A 90 2.384 3.611 -6.145 1.00 0.00 O ATOM 1432 CB ARG A 90 0.866 3.200 -8.864 1.00 0.00 C ATOM 1433 CG ARG A 90 -0.330 3.416 -7.949 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.493 2.510 -8.321 1.00 0.00 C ATOM 1435 NE ARG A 90 -2.647 3.268 -8.801 1.00 0.00 N ATOM 1436 CZ ARG A 90 -3.409 4.030 -8.021 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -3.142 4.141 -6.726 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -4.439 4.687 -8.537 1.00 0.00 N ATOM 0 H ARG A 90 1.066 1.510 -6.575 1.00 0.00 H new ATOM 0 HA ARG A 90 2.686 2.066 -8.978 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.236 4.169 -9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.540 2.658 -9.752 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.037 3.227 -6.916 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.647 4.457 -8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.174 1.809 -9.092 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.784 1.918 -7.453 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.882 3.209 -9.792 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.349 3.641 -6.324 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.730 4.727 -6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.647 4.608 -9.532 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.023 5.271 -7.938 1.00 0.00 H new ATOM 1452 N ARG A 91 3.930 3.850 -7.762 1.00 0.00 N ATOM 1453 CA ARG A 91 4.775 4.741 -6.974 1.00 0.00 C ATOM 1454 C ARG A 91 5.499 5.745 -7.867 1.00 0.00 C ATOM 1455 O ARG A 91 5.641 5.533 -9.071 1.00 0.00 O ATOM 1456 CB ARG A 91 5.798 3.940 -6.162 1.00 0.00 C ATOM 1457 CG ARG A 91 6.063 2.542 -6.703 1.00 0.00 C ATOM 1458 CD ARG A 91 6.773 2.591 -8.047 1.00 0.00 C ATOM 1459 NE ARG A 91 7.983 3.410 -7.997 1.00 0.00 N ATOM 1460 CZ ARG A 91 8.585 3.909 -9.073 1.00 0.00 C ATOM 1461 NH1 ARG A 91 8.095 3.677 -10.285 1.00 0.00 N ATOM 1462 NH2 ARG A 91 9.681 4.644 -8.938 1.00 0.00 N ATOM 0 H ARG A 91 4.285 3.649 -8.697 1.00 0.00 H new ATOM 0 HA ARG A 91 4.127 5.288 -6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.738 4.492 -6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.447 3.859 -5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.669 1.983 -5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.120 2.006 -6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.033 1.579 -8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.095 2.991 -8.801 1.00 0.00 H new ATOM 0 HE ARG A 91 8.389 3.611 -7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.252 3.113 -10.395 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.561 4.063 -11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.062 4.826 -8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.143 5.027 -9.763 1.00 0.00 H new