USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 912 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 SER OG : rot 180:sc= -0.0389 USER MOD Set 1.2: A 105 ASN : amide:sc= -10.9! C(o=-11!,f=-16!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 54:sc= -0.432 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 174:sc= -2.02! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 146:sc= -2.11! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.87) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc=0.000831 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.99 K(o=-3,f=-8.6!) USER MOD Single : A 67 LYS NZ :NH3+ 145:sc= -7.05! (180deg=-11.7!) USER MOD Single : A 77 TYR OH : rot 60:sc= 0.486 USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= -0.249 (180deg=-0.371) USER MOD Single : A 85 CYS SG : rot 180:sc= -0.808 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0.912 (180deg=0.912) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.083 USER MOD Single : A 94 SER OG : rot 81:sc= -0.091 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.015) USER MOD Single : A 125 SER OG : rot -114:sc= -0.555 USER MOD ----------------------------------------------------------------- ATOM 102 N MET A 8 -3.902 6.729 -11.433 1.00 0.00 N ATOM 103 CA MET A 8 -2.638 7.182 -10.862 1.00 0.00 C ATOM 104 C MET A 8 -1.909 6.037 -10.169 1.00 0.00 C ATOM 105 O MET A 8 -2.399 5.484 -9.184 1.00 0.00 O ATOM 106 CB MET A 8 -2.879 8.325 -9.876 1.00 0.00 C ATOM 107 CG MET A 8 -1.747 9.342 -9.834 1.00 0.00 C ATOM 108 SD MET A 8 -2.222 10.942 -10.517 1.00 0.00 S ATOM 109 CE MET A 8 -0.820 11.286 -11.577 1.00 0.00 C ATOM 0 HA MET A 8 -2.010 7.543 -11.677 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.805 8.835 -10.143 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.020 7.909 -8.878 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.421 9.474 -8.802 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.894 8.953 -10.390 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.965 12.246 -12.072 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.090 11.321 -10.977 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.730 10.501 -12.328 1.00 0.00 H new ATOM 119 N ARG A 9 -0.742 5.676 -10.694 1.00 0.00 N ATOM 120 CA ARG A 9 0.045 4.586 -10.120 1.00 0.00 C ATOM 121 C ARG A 9 1.396 5.066 -9.596 1.00 0.00 C ATOM 122 O ARG A 9 2.025 5.952 -10.175 1.00 0.00 O ATOM 123 CB ARG A 9 0.239 3.471 -11.154 1.00 0.00 C ATOM 124 CG ARG A 9 1.422 3.682 -12.088 1.00 0.00 C ATOM 125 CD ARG A 9 2.644 2.905 -11.623 1.00 0.00 C ATOM 126 NE ARG A 9 3.486 2.486 -12.741 1.00 0.00 N ATOM 127 CZ ARG A 9 3.101 1.620 -13.675 1.00 0.00 C ATOM 128 NH1 ARG A 9 1.892 1.076 -13.628 1.00 0.00 N ATOM 129 NH2 ARG A 9 3.929 1.296 -14.660 1.00 0.00 N ATOM 0 H ARG A 9 -0.321 6.118 -11.511 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.512 4.195 -9.268 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.369 2.524 -10.630 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.669 3.383 -11.751 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.152 3.368 -13.096 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.662 4.744 -12.139 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.228 3.523 -10.941 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.323 2.027 -11.062 1.00 0.00 H new ATOM 0 HE ARG A 9 4.424 2.880 -12.810 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.252 1.321 -12.873 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.603 0.413 -14.347 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.860 1.711 -14.701 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.634 0.632 -15.376 1.00 0.00 H new ATOM 143 N LEU A 10 1.841 4.443 -8.509 1.00 0.00 N ATOM 144 CA LEU A 10 3.132 4.770 -7.905 1.00 0.00 C ATOM 145 C LEU A 10 4.030 3.538 -7.904 1.00 0.00 C ATOM 146 O LEU A 10 3.556 2.416 -8.079 1.00 0.00 O ATOM 147 CB LEU A 10 2.995 5.311 -6.464 1.00 0.00 C ATOM 148 CG LEU A 10 1.570 5.430 -5.910 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.593 5.568 -4.388 1.00 0.00 C ATOM 150 CD2 LEU A 10 0.859 6.620 -6.532 1.00 0.00 C ATOM 0 H LEU A 10 1.326 3.707 -8.026 1.00 0.00 H new ATOM 0 HA LEU A 10 3.576 5.561 -8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.566 4.662 -5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.460 6.296 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 10 1.026 4.521 -6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.572 5.651 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.069 4.691 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.154 6.461 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.151 6.692 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.407 7.533 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.810 6.490 -7.613 1.00 0.00 H new ATOM 162 N ARG A 11 5.322 3.753 -7.707 1.00 0.00 N ATOM 163 CA ARG A 11 6.279 2.658 -7.686 1.00 0.00 C ATOM 164 C ARG A 11 6.725 2.357 -6.257 1.00 0.00 C ATOM 165 O ARG A 11 6.830 3.261 -5.427 1.00 0.00 O ATOM 166 CB ARG A 11 7.494 2.999 -8.553 1.00 0.00 C ATOM 167 CG ARG A 11 7.947 1.854 -9.446 1.00 0.00 C ATOM 168 CD ARG A 11 8.420 0.663 -8.628 1.00 0.00 C ATOM 169 NE ARG A 11 9.573 0.004 -9.240 1.00 0.00 N ATOM 170 CZ ARG A 11 10.790 0.537 -9.294 1.00 0.00 C ATOM 171 NH1 ARG A 11 11.021 1.735 -8.771 1.00 0.00 N ATOM 172 NH2 ARG A 11 11.781 -0.130 -9.869 1.00 0.00 N ATOM 0 H ARG A 11 5.731 4.676 -7.559 1.00 0.00 H new ATOM 0 HA ARG A 11 5.792 1.771 -8.091 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.255 3.861 -9.176 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.320 3.293 -7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.125 1.549 -10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.754 2.195 -10.095 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.682 0.994 -7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.605 -0.053 -8.525 1.00 0.00 H new ATOM 0 HE ARG A 11 9.435 -0.920 -9.650 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.263 2.251 -8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.957 2.139 -8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.610 -1.052 -10.270 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.715 0.279 -9.910 1.00 0.00 H new ATOM 186 N ILE A 12 6.991 1.087 -5.982 1.00 0.00 N ATOM 187 CA ILE A 12 7.433 0.667 -4.660 1.00 0.00 C ATOM 188 C ILE A 12 8.384 -0.516 -4.786 1.00 0.00 C ATOM 189 O ILE A 12 7.960 -1.656 -4.985 1.00 0.00 O ATOM 190 CB ILE A 12 6.224 0.320 -3.746 1.00 0.00 C ATOM 191 CG1 ILE A 12 5.862 1.533 -2.891 1.00 0.00 C ATOM 192 CG2 ILE A 12 6.502 -0.888 -2.858 1.00 0.00 C ATOM 193 CD1 ILE A 12 4.498 1.431 -2.243 1.00 0.00 C ATOM 0 H ILE A 12 6.908 0.329 -6.659 1.00 0.00 H new ATOM 0 HA ILE A 12 7.965 1.495 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 12 5.384 0.059 -4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.616 1.658 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.894 2.428 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.629 -1.092 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.715 -1.756 -3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.360 -0.680 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.308 2.327 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.734 1.337 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.468 0.555 -1.595 1.00 0.00 H new ATOM 205 N ARG A 13 9.677 -0.232 -4.695 1.00 0.00 N ATOM 206 CA ARG A 13 10.693 -1.270 -4.822 1.00 0.00 C ATOM 207 C ARG A 13 11.295 -1.635 -3.471 1.00 0.00 C ATOM 208 O ARG A 13 11.288 -0.838 -2.532 1.00 0.00 O ATOM 209 CB ARG A 13 11.800 -0.822 -5.779 1.00 0.00 C ATOM 210 CG ARG A 13 12.433 0.506 -5.399 1.00 0.00 C ATOM 211 CD ARG A 13 13.468 0.942 -6.422 1.00 0.00 C ATOM 212 NE ARG A 13 14.447 -0.109 -6.692 1.00 0.00 N ATOM 213 CZ ARG A 13 15.481 -0.383 -5.899 1.00 0.00 C ATOM 214 NH1 ARG A 13 15.674 0.316 -4.787 1.00 0.00 N ATOM 215 NH2 ARG A 13 16.322 -1.357 -6.217 1.00 0.00 N ATOM 0 H ARG A 13 10.047 0.705 -4.534 1.00 0.00 H new ATOM 0 HA ARG A 13 10.204 -2.157 -5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.574 -1.588 -5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.389 -0.744 -6.786 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.659 1.269 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.902 0.419 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.967 1.218 -7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.982 1.832 -6.061 1.00 0.00 H new ATOM 0 HE ARG A 13 14.331 -0.666 -7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.029 1.066 -4.538 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.467 0.103 -4.182 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.177 -1.897 -7.070 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.114 -1.566 -5.609 1.00 0.00 H new ATOM 229 N PHE A 14 11.827 -2.848 -3.394 1.00 0.00 N ATOM 230 CA PHE A 14 12.459 -3.349 -2.184 1.00 0.00 C ATOM 231 C PHE A 14 13.820 -3.936 -2.529 1.00 0.00 C ATOM 232 O PHE A 14 13.975 -4.604 -3.551 1.00 0.00 O ATOM 233 CB PHE A 14 11.578 -4.411 -1.514 1.00 0.00 C ATOM 234 CG PHE A 14 10.700 -3.872 -0.416 1.00 0.00 C ATOM 235 CD1 PHE A 14 9.835 -2.816 -0.657 1.00 0.00 C ATOM 236 CD2 PHE A 14 10.737 -4.425 0.856 1.00 0.00 C ATOM 237 CE1 PHE A 14 9.024 -2.321 0.346 1.00 0.00 C ATOM 238 CE2 PHE A 14 9.927 -3.932 1.864 1.00 0.00 C ATOM 239 CZ PHE A 14 9.070 -2.879 1.608 1.00 0.00 C ATOM 0 H PHE A 14 11.832 -3.511 -4.169 1.00 0.00 H new ATOM 0 HA PHE A 14 12.588 -2.523 -1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.949 -4.878 -2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.217 -5.193 -1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.794 -2.374 -1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.405 -5.249 1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.355 -1.498 0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.965 -4.370 2.850 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.437 -2.493 2.394 1.00 0.00 H new ATOM 249 N GLU A 15 14.809 -3.665 -1.689 1.00 0.00 N ATOM 250 CA GLU A 15 16.172 -4.148 -1.914 1.00 0.00 C ATOM 251 C GLU A 15 16.206 -5.595 -2.408 1.00 0.00 C ATOM 252 O GLU A 15 17.134 -5.995 -3.111 1.00 0.00 O ATOM 253 CB GLU A 15 17.004 -4.038 -0.631 1.00 0.00 C ATOM 254 CG GLU A 15 17.896 -2.807 -0.570 1.00 0.00 C ATOM 255 CD GLU A 15 17.267 -1.581 -1.208 1.00 0.00 C ATOM 256 OE1 GLU A 15 16.515 -0.869 -0.510 1.00 0.00 O ATOM 257 OE2 GLU A 15 17.526 -1.335 -2.404 1.00 0.00 O ATOM 0 H GLU A 15 14.696 -3.111 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 15 16.599 -3.514 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.330 -4.028 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.626 -4.928 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.130 -2.587 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.840 -3.025 -1.070 1.00 0.00 H new ATOM 264 N SER A 16 15.209 -6.381 -2.024 1.00 0.00 N ATOM 265 CA SER A 16 15.157 -7.784 -2.422 1.00 0.00 C ATOM 266 C SER A 16 13.853 -8.128 -3.137 1.00 0.00 C ATOM 267 O SER A 16 13.451 -9.291 -3.165 1.00 0.00 O ATOM 268 CB SER A 16 15.320 -8.680 -1.193 1.00 0.00 C ATOM 269 OG SER A 16 16.688 -8.929 -0.920 1.00 0.00 O ATOM 0 H SER A 16 14.430 -6.075 -1.441 1.00 0.00 H new ATOM 0 HA SER A 16 15.976 -7.957 -3.121 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.854 -8.206 -0.329 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.801 -9.624 -1.356 1.00 0.00 H new ATOM 0 HG SER A 16 16.765 -9.502 -0.129 1.00 0.00 H new ATOM 275 N ALA A 17 13.188 -7.129 -3.717 1.00 0.00 N ATOM 276 CA ALA A 17 11.929 -7.391 -4.425 1.00 0.00 C ATOM 277 C ALA A 17 11.369 -6.148 -5.119 1.00 0.00 C ATOM 278 O ALA A 17 11.631 -5.019 -4.707 1.00 0.00 O ATOM 279 CB ALA A 17 10.892 -7.967 -3.464 1.00 0.00 C ATOM 0 H ALA A 17 13.487 -6.154 -3.714 1.00 0.00 H new ATOM 0 HA ALA A 17 12.152 -8.119 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.963 -8.157 -4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.265 -8.901 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.707 -7.255 -2.660 1.00 0.00 H new ATOM 285 N GLU A 18 10.585 -6.379 -6.175 1.00 0.00 N ATOM 286 CA GLU A 18 9.962 -5.300 -6.940 1.00 0.00 C ATOM 287 C GLU A 18 8.442 -5.358 -6.801 1.00 0.00 C ATOM 288 O GLU A 18 7.876 -6.429 -6.583 1.00 0.00 O ATOM 289 CB GLU A 18 10.354 -5.400 -8.415 1.00 0.00 C ATOM 290 CG GLU A 18 10.047 -6.752 -9.037 1.00 0.00 C ATOM 291 CD GLU A 18 11.288 -7.601 -9.229 1.00 0.00 C ATOM 292 OE1 GLU A 18 11.659 -8.334 -8.287 1.00 0.00 O ATOM 293 OE2 GLU A 18 11.890 -7.535 -10.320 1.00 0.00 O ATOM 0 H GLU A 18 10.366 -7.313 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 18 10.316 -4.348 -6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.830 -4.625 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.421 -5.198 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.340 -7.287 -8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.561 -6.602 -10.001 1.00 0.00 H new ATOM 300 N CYS A 19 7.782 -4.205 -6.918 1.00 0.00 N ATOM 301 CA CYS A 19 6.317 -4.156 -6.793 1.00 0.00 C ATOM 302 C CYS A 19 5.738 -2.870 -7.392 1.00 0.00 C ATOM 303 O CYS A 19 6.394 -1.828 -7.405 1.00 0.00 O ATOM 304 CB CYS A 19 5.879 -4.287 -5.316 1.00 0.00 C ATOM 305 SG CYS A 19 7.232 -4.335 -4.112 1.00 0.00 S ATOM 0 H CYS A 19 8.226 -3.304 -7.096 1.00 0.00 H new ATOM 0 HA CYS A 19 5.924 -5.003 -7.356 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.226 -3.449 -5.072 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.286 -5.195 -5.209 1.00 0.00 H new ATOM 0 HG CYS A 19 7.998 -3.298 -4.278 1.00 0.00 H new ATOM 311 N GLU A 20 4.492 -2.955 -7.876 1.00 0.00 N ATOM 312 CA GLU A 20 3.809 -1.801 -8.462 1.00 0.00 C ATOM 313 C GLU A 20 2.358 -1.752 -7.989 1.00 0.00 C ATOM 314 O GLU A 20 1.764 -2.788 -7.694 1.00 0.00 O ATOM 315 CB GLU A 20 3.861 -1.852 -9.996 1.00 0.00 C ATOM 316 CG GLU A 20 5.252 -1.626 -10.563 1.00 0.00 C ATOM 317 CD GLU A 20 5.523 -0.169 -10.874 1.00 0.00 C ATOM 318 OE1 GLU A 20 4.953 0.702 -10.183 1.00 0.00 O ATOM 319 OE2 GLU A 20 6.307 0.103 -11.807 1.00 0.00 O ATOM 0 H GLU A 20 3.939 -3.812 -7.872 1.00 0.00 H new ATOM 0 HA GLU A 20 4.323 -0.898 -8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.493 -2.822 -10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.186 -1.098 -10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.994 -1.986 -9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.370 -2.216 -11.472 1.00 0.00 H new ATOM 326 N VAL A 21 1.792 -0.550 -7.901 1.00 0.00 N ATOM 327 CA VAL A 21 0.412 -0.403 -7.441 1.00 0.00 C ATOM 328 C VAL A 21 -0.244 0.866 -7.991 1.00 0.00 C ATOM 329 O VAL A 21 0.399 1.907 -8.128 1.00 0.00 O ATOM 330 CB VAL A 21 0.331 -0.424 -5.889 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.720 -0.526 -5.276 1.00 0.00 C ATOM 332 CG2 VAL A 21 -0.404 0.795 -5.339 1.00 0.00 C ATOM 0 H VAL A 21 2.259 0.325 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.142 -1.258 -7.829 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.242 -1.308 -5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.638 -0.539 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.201 -1.444 -5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.318 0.332 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.437 0.739 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.120 1.702 -5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.420 0.815 -5.733 1.00 0.00 H new ATOM 342 N GLU A 22 -1.536 0.759 -8.294 1.00 0.00 N ATOM 343 CA GLU A 22 -2.312 1.879 -8.817 1.00 0.00 C ATOM 344 C GLU A 22 -3.046 2.586 -7.683 1.00 0.00 C ATOM 345 O GLU A 22 -2.906 2.210 -6.520 1.00 0.00 O ATOM 346 CB GLU A 22 -3.308 1.395 -9.870 1.00 0.00 C ATOM 347 CG GLU A 22 -2.729 1.337 -11.275 1.00 0.00 C ATOM 348 CD GLU A 22 -3.139 0.084 -12.025 1.00 0.00 C ATOM 349 OE1 GLU A 22 -4.158 -0.529 -11.642 1.00 0.00 O ATOM 350 OE2 GLU A 22 -2.442 -0.283 -12.994 1.00 0.00 O ATOM 0 H GLU A 22 -2.071 -0.102 -8.184 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.627 2.585 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.665 0.403 -9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.174 2.057 -9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.055 2.214 -11.835 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.641 1.382 -11.218 1.00 0.00 H new ATOM 357 N LEU A 23 -3.826 3.614 -8.012 1.00 0.00 N ATOM 358 CA LEU A 23 -4.558 4.350 -6.988 1.00 0.00 C ATOM 359 C LEU A 23 -5.859 4.927 -7.537 1.00 0.00 C ATOM 360 O LEU A 23 -5.886 5.510 -8.622 1.00 0.00 O ATOM 361 CB LEU A 23 -3.673 5.464 -6.413 1.00 0.00 C ATOM 362 CG LEU A 23 -4.377 6.493 -5.521 1.00 0.00 C ATOM 363 CD1 LEU A 23 -4.460 5.995 -4.087 1.00 0.00 C ATOM 364 CD2 LEU A 23 -3.641 7.821 -5.576 1.00 0.00 C ATOM 0 H LEU A 23 -3.965 3.951 -8.965 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.820 3.655 -6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.871 5.002 -5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.205 5.993 -7.243 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.392 6.635 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.963 6.741 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.022 5.061 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.454 5.825 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.149 8.545 -4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.618 7.685 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.627 8.187 -6.603 1.00 0.00 H new ATOM 376 N TYR A 24 -6.934 4.765 -6.770 1.00 0.00 N ATOM 377 CA TYR A 24 -8.244 5.273 -7.164 1.00 0.00 C ATOM 378 C TYR A 24 -8.727 6.335 -6.177 1.00 0.00 C ATOM 379 O TYR A 24 -8.545 6.201 -4.967 1.00 0.00 O ATOM 380 CB TYR A 24 -9.260 4.126 -7.260 1.00 0.00 C ATOM 381 CG TYR A 24 -8.760 2.930 -8.043 1.00 0.00 C ATOM 382 CD1 TYR A 24 -7.905 3.088 -9.127 1.00 0.00 C ATOM 383 CD2 TYR A 24 -9.147 1.643 -7.695 1.00 0.00 C ATOM 384 CE1 TYR A 24 -7.450 1.997 -9.842 1.00 0.00 C ATOM 385 CE2 TYR A 24 -8.696 0.546 -8.405 1.00 0.00 C ATOM 386 CZ TYR A 24 -7.848 0.729 -9.476 1.00 0.00 C ATOM 387 OH TYR A 24 -7.397 -0.362 -10.186 1.00 0.00 O ATOM 0 H TYR A 24 -6.923 4.285 -5.870 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.152 5.734 -8.147 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.526 3.804 -6.253 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.172 4.499 -7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.591 4.080 -9.415 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.811 1.496 -6.856 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.786 2.137 -10.683 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.006 -0.449 -8.122 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.770 -1.181 -9.798 1.00 0.00 H new ATOM 397 N GLU A 25 -9.331 7.401 -6.704 1.00 0.00 N ATOM 398 CA GLU A 25 -9.827 8.503 -5.874 1.00 0.00 C ATOM 399 C GLU A 25 -10.895 8.064 -4.868 1.00 0.00 C ATOM 400 O GLU A 25 -11.299 8.855 -4.017 1.00 0.00 O ATOM 401 CB GLU A 25 -10.378 9.634 -6.741 1.00 0.00 C ATOM 402 CG GLU A 25 -9.373 10.197 -7.737 1.00 0.00 C ATOM 403 CD GLU A 25 -7.942 10.160 -7.231 1.00 0.00 C ATOM 404 OE1 GLU A 25 -7.384 9.049 -7.107 1.00 0.00 O ATOM 405 OE2 GLU A 25 -7.379 11.242 -6.959 1.00 0.00 O ATOM 0 H GLU A 25 -9.489 7.526 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.968 8.859 -5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.249 9.269 -7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.722 10.440 -6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.437 9.631 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.642 11.227 -7.971 1.00 0.00 H new ATOM 412 N GLU A 26 -11.367 6.822 -4.972 1.00 0.00 N ATOM 413 CA GLU A 26 -12.403 6.324 -4.065 1.00 0.00 C ATOM 414 C GLU A 26 -12.099 6.712 -2.617 1.00 0.00 C ATOM 415 O GLU A 26 -13.011 6.919 -1.815 1.00 0.00 O ATOM 416 CB GLU A 26 -12.528 4.800 -4.188 1.00 0.00 C ATOM 417 CG GLU A 26 -11.377 4.035 -3.549 1.00 0.00 C ATOM 418 CD GLU A 26 -11.433 2.548 -3.838 1.00 0.00 C ATOM 419 OE1 GLU A 26 -12.529 2.048 -4.168 1.00 0.00 O ATOM 420 OE2 GLU A 26 -10.380 1.882 -3.733 1.00 0.00 O ATOM 0 H GLU A 26 -11.052 6.147 -5.669 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.350 6.783 -4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.463 4.483 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.587 4.534 -5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.432 4.437 -3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.395 4.193 -2.471 1.00 0.00 H new ATOM 427 N TRP A 27 -10.815 6.843 -2.297 1.00 0.00 N ATOM 428 CA TRP A 27 -10.394 7.244 -0.966 1.00 0.00 C ATOM 429 C TRP A 27 -10.612 8.749 -0.810 1.00 0.00 C ATOM 430 O TRP A 27 -11.333 9.191 0.084 1.00 0.00 O ATOM 431 CB TRP A 27 -8.923 6.861 -0.753 1.00 0.00 C ATOM 432 CG TRP A 27 -8.238 7.579 0.371 1.00 0.00 C ATOM 433 CD1 TRP A 27 -6.914 7.904 0.435 1.00 0.00 C ATOM 434 CD2 TRP A 27 -8.827 8.050 1.590 1.00 0.00 C ATOM 435 NE1 TRP A 27 -6.642 8.549 1.615 1.00 0.00 N ATOM 436 CE2 TRP A 27 -7.799 8.653 2.342 1.00 0.00 C ATOM 437 CE3 TRP A 27 -10.119 8.025 2.121 1.00 0.00 C ATOM 438 CZ2 TRP A 27 -8.025 9.222 3.593 1.00 0.00 C ATOM 439 CZ3 TRP A 27 -10.342 8.593 3.361 1.00 0.00 C ATOM 440 CH2 TRP A 27 -9.299 9.184 4.084 1.00 0.00 C ATOM 0 H TRP A 27 -10.047 6.675 -2.948 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.984 6.729 -0.208 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.866 5.788 -0.568 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.375 7.055 -1.675 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.186 7.685 -0.332 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -5.727 8.895 1.904 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -10.930 7.570 1.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.222 9.677 4.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -11.338 8.581 3.779 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -9.506 9.619 5.051 1.00 0.00 H new ATOM 451 N ALA A 28 -10.016 9.531 -1.717 1.00 0.00 N ATOM 452 CA ALA A 28 -10.174 10.989 -1.703 1.00 0.00 C ATOM 453 C ALA A 28 -9.103 11.683 -2.546 1.00 0.00 C ATOM 454 O ALA A 28 -7.914 11.610 -2.233 1.00 0.00 O ATOM 455 CB ALA A 28 -10.149 11.538 -0.278 1.00 0.00 C ATOM 0 H ALA A 28 -9.422 9.180 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.148 11.203 -2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.268 12.621 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.963 11.096 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.197 11.289 0.191 1.00 0.00 H new ATOM 461 N PRO A 29 -9.510 12.374 -3.633 1.00 0.00 N ATOM 462 CA PRO A 29 -8.574 13.081 -4.511 1.00 0.00 C ATOM 463 C PRO A 29 -7.559 13.917 -3.728 1.00 0.00 C ATOM 464 O PRO A 29 -6.395 14.017 -4.114 1.00 0.00 O ATOM 465 CB PRO A 29 -9.466 13.999 -5.365 1.00 0.00 C ATOM 466 CG PRO A 29 -10.881 13.756 -4.937 1.00 0.00 C ATOM 467 CD PRO A 29 -10.901 12.513 -4.087 1.00 0.00 C ATOM 0 HA PRO A 29 -7.984 12.380 -5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -9.194 15.044 -5.221 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.341 13.780 -6.426 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -11.261 14.609 -4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.527 13.634 -5.806 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.588 12.615 -3.246 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.224 11.643 -4.659 1.00 0.00 H new ATOM 475 N GLU A 30 -8.013 14.519 -2.629 1.00 0.00 N ATOM 476 CA GLU A 30 -7.154 15.351 -1.797 1.00 0.00 C ATOM 477 C GLU A 30 -5.984 14.552 -1.228 1.00 0.00 C ATOM 478 O GLU A 30 -4.831 14.975 -1.323 1.00 0.00 O ATOM 479 CB GLU A 30 -7.961 15.974 -0.654 1.00 0.00 C ATOM 480 CG GLU A 30 -7.156 16.944 0.187 1.00 0.00 C ATOM 481 CD GLU A 30 -6.898 16.432 1.590 1.00 0.00 C ATOM 482 OE1 GLU A 30 -7.799 16.567 2.445 1.00 0.00 O ATOM 483 OE2 GLU A 30 -5.797 15.894 1.834 1.00 0.00 O ATOM 0 H GLU A 30 -8.974 14.444 -2.296 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.751 16.143 -2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.825 16.493 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.344 15.180 -0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.203 17.139 -0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.686 17.895 0.244 1.00 0.00 H new ATOM 490 N THR A 31 -6.283 13.396 -0.640 1.00 0.00 N ATOM 491 CA THR A 31 -5.233 12.549 -0.063 1.00 0.00 C ATOM 492 C THR A 31 -4.252 12.112 -1.146 1.00 0.00 C ATOM 493 O THR A 31 -3.038 12.163 -0.953 1.00 0.00 O ATOM 494 CB THR A 31 -5.835 11.323 0.636 1.00 0.00 C ATOM 495 OG1 THR A 31 -7.232 11.252 0.416 1.00 0.00 O ATOM 496 CG2 THR A 31 -5.605 11.311 2.137 1.00 0.00 C ATOM 0 H THR A 31 -7.229 13.025 -0.549 1.00 0.00 H new ATOM 0 HA THR A 31 -4.697 13.135 0.684 1.00 0.00 H new ATOM 0 HB THR A 31 -5.323 10.466 0.199 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.578 10.411 0.781 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.057 10.417 2.567 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.534 11.311 2.341 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.059 12.197 2.582 1.00 0.00 H new ATOM 504 N VAL A 32 -4.787 11.699 -2.291 1.00 0.00 N ATOM 505 CA VAL A 32 -3.962 11.271 -3.416 1.00 0.00 C ATOM 506 C VAL A 32 -2.833 12.269 -3.668 1.00 0.00 C ATOM 507 O VAL A 32 -1.711 11.886 -3.999 1.00 0.00 O ATOM 508 CB VAL A 32 -4.807 11.128 -4.700 1.00 0.00 C ATOM 509 CG1 VAL A 32 -3.935 10.752 -5.889 1.00 0.00 C ATOM 510 CG2 VAL A 32 -5.914 10.104 -4.495 1.00 0.00 C ATOM 0 H VAL A 32 -5.791 11.652 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.537 10.301 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.265 12.093 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.556 10.658 -6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.185 11.526 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.439 9.802 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.501 10.015 -5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.474 9.137 -4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.561 10.426 -3.679 1.00 0.00 H new ATOM 520 N ARG A 33 -3.147 13.550 -3.504 1.00 0.00 N ATOM 521 CA ARG A 33 -2.168 14.612 -3.711 1.00 0.00 C ATOM 522 C ARG A 33 -0.973 14.446 -2.773 1.00 0.00 C ATOM 523 O ARG A 33 0.158 14.774 -3.134 1.00 0.00 O ATOM 524 CB ARG A 33 -2.821 15.982 -3.489 1.00 0.00 C ATOM 525 CG ARG A 33 -2.040 17.149 -4.085 1.00 0.00 C ATOM 526 CD ARG A 33 -2.764 17.762 -5.275 1.00 0.00 C ATOM 527 NE ARG A 33 -2.975 19.198 -5.107 1.00 0.00 N ATOM 528 CZ ARG A 33 -3.947 19.723 -4.363 1.00 0.00 C ATOM 529 NH1 ARG A 33 -4.796 18.934 -3.715 1.00 0.00 N ATOM 530 NH2 ARG A 33 -4.070 21.039 -4.266 1.00 0.00 N ATOM 0 H ARG A 33 -4.072 13.878 -3.228 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.809 14.547 -4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.821 15.970 -3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.939 16.147 -2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.885 17.911 -3.321 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.054 16.805 -4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.186 17.584 -6.182 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.726 17.267 -5.408 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.341 19.836 -5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.706 17.920 -3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.539 19.341 -3.147 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.420 21.650 -4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.814 21.441 -3.696 1.00 0.00 H new ATOM 544 N ALA A 34 -1.226 13.931 -1.572 1.00 0.00 N ATOM 545 CA ALA A 34 -0.166 13.723 -0.591 1.00 0.00 C ATOM 546 C ALA A 34 0.770 12.605 -1.029 1.00 0.00 C ATOM 547 O ALA A 34 1.991 12.759 -1.000 1.00 0.00 O ATOM 548 CB ALA A 34 -0.755 13.420 0.777 1.00 0.00 C ATOM 0 H ALA A 34 -2.154 13.651 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 34 0.414 14.643 -0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.051 13.268 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.375 14.256 1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.364 12.518 0.719 1.00 0.00 H new ATOM 554 N ILE A 35 0.193 11.483 -1.449 1.00 0.00 N ATOM 555 CA ILE A 35 0.995 10.348 -1.907 1.00 0.00 C ATOM 556 C ILE A 35 1.922 10.805 -3.037 1.00 0.00 C ATOM 557 O ILE A 35 3.129 10.568 -2.995 1.00 0.00 O ATOM 558 CB ILE A 35 0.139 9.165 -2.424 1.00 0.00 C ATOM 559 CG1 ILE A 35 -1.323 9.286 -1.985 1.00 0.00 C ATOM 560 CG2 ILE A 35 0.725 7.846 -1.945 1.00 0.00 C ATOM 561 CD1 ILE A 35 -1.505 9.294 -0.484 1.00 0.00 C ATOM 0 H ILE A 35 -0.815 11.334 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 35 1.559 9.995 -1.044 1.00 0.00 H new ATOM 0 HB ILE A 35 0.159 9.194 -3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.743 10.203 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.890 8.457 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.115 7.021 -2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.743 7.742 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.738 7.828 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.565 9.382 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.115 8.366 -0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.966 10.139 -0.057 1.00 0.00 H new ATOM 573 N ALA A 36 1.343 11.483 -4.039 1.00 0.00 N ATOM 574 CA ALA A 36 2.118 11.991 -5.165 1.00 0.00 C ATOM 575 C ALA A 36 3.138 13.016 -4.684 1.00 0.00 C ATOM 576 O ALA A 36 4.202 13.175 -5.274 1.00 0.00 O ATOM 577 CB ALA A 36 1.200 12.601 -6.211 1.00 0.00 C ATOM 0 H ALA A 36 0.345 11.688 -4.087 1.00 0.00 H new ATOM 0 HA ALA A 36 2.653 11.159 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.795 12.975 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.506 11.842 -6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.639 13.424 -5.768 1.00 0.00 H new ATOM 583 N ASP A 37 2.811 13.712 -3.601 1.00 0.00 N ATOM 584 CA ASP A 37 3.725 14.706 -3.049 1.00 0.00 C ATOM 585 C ASP A 37 4.938 14.024 -2.411 1.00 0.00 C ATOM 586 O ASP A 37 6.013 14.614 -2.306 1.00 0.00 O ATOM 587 CB ASP A 37 3.009 15.576 -2.013 1.00 0.00 C ATOM 588 CG ASP A 37 3.702 16.906 -1.797 1.00 0.00 C ATOM 589 OD1 ASP A 37 4.946 16.952 -1.903 1.00 0.00 O ATOM 590 OD2 ASP A 37 3.002 17.904 -1.523 1.00 0.00 O ATOM 0 H ASP A 37 1.932 13.609 -3.093 1.00 0.00 H new ATOM 0 HA ASP A 37 4.069 15.343 -3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.983 15.752 -2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.956 15.039 -1.066 1.00 0.00 H new ATOM 595 N ALA A 38 4.747 12.776 -1.980 1.00 0.00 N ATOM 596 CA ALA A 38 5.798 11.998 -1.342 1.00 0.00 C ATOM 597 C ALA A 38 6.481 11.043 -2.327 1.00 0.00 C ATOM 598 O ALA A 38 6.614 9.850 -2.057 1.00 0.00 O ATOM 599 CB ALA A 38 5.203 11.220 -0.177 1.00 0.00 C ATOM 0 H ALA A 38 3.859 12.281 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 38 6.563 12.685 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.985 10.634 0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.773 11.916 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.424 10.552 -0.545 1.00 0.00 H new ATOM 605 N LEU A 39 6.929 11.583 -3.460 1.00 0.00 N ATOM 606 CA LEU A 39 7.622 10.786 -4.481 1.00 0.00 C ATOM 607 C LEU A 39 8.915 10.184 -3.881 1.00 0.00 C ATOM 608 O LEU A 39 8.990 10.067 -2.661 1.00 0.00 O ATOM 609 CB LEU A 39 7.864 11.631 -5.737 1.00 0.00 C ATOM 610 CG LEU A 39 6.598 12.212 -6.385 1.00 0.00 C ATOM 611 CD1 LEU A 39 6.863 12.554 -7.842 1.00 0.00 C ATOM 612 CD2 LEU A 39 5.427 11.234 -6.283 1.00 0.00 C ATOM 0 H LEU A 39 6.826 12.570 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 39 7.001 9.947 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.532 12.453 -5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.382 11.018 -6.474 1.00 0.00 H new ATOM 0 HG LEU A 39 6.331 13.121 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.958 12.965 -8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.664 13.290 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.157 11.653 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.545 11.672 -6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.683 10.305 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.217 11.026 -5.234 1.00 0.00 H new ATOM 624 N PRO A 40 9.941 9.754 -4.679 1.00 0.00 N ATOM 625 CA PRO A 40 11.158 9.153 -4.126 1.00 0.00 C ATOM 626 C PRO A 40 11.501 9.626 -2.715 1.00 0.00 C ATOM 627 O PRO A 40 11.983 10.739 -2.512 1.00 0.00 O ATOM 628 CB PRO A 40 12.217 9.585 -5.125 1.00 0.00 C ATOM 629 CG PRO A 40 11.507 9.567 -6.439 1.00 0.00 C ATOM 630 CD PRO A 40 10.033 9.791 -6.156 1.00 0.00 C ATOM 0 HA PRO A 40 11.060 8.074 -4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.602 10.578 -4.893 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.069 8.905 -5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.895 10.345 -7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.661 8.615 -6.946 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.691 10.747 -6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.417 9.017 -6.614 1.00 0.00 H new ATOM 638 N ILE A 41 11.250 8.747 -1.750 1.00 0.00 N ATOM 639 CA ILE A 41 11.525 9.024 -0.346 1.00 0.00 C ATOM 640 C ILE A 41 11.970 7.738 0.346 1.00 0.00 C ATOM 641 O ILE A 41 11.562 6.644 -0.045 1.00 0.00 O ATOM 642 CB ILE A 41 10.285 9.619 0.374 1.00 0.00 C ATOM 643 CG1 ILE A 41 10.079 11.083 -0.035 1.00 0.00 C ATOM 644 CG2 ILE A 41 10.434 9.519 1.890 1.00 0.00 C ATOM 645 CD1 ILE A 41 8.934 11.766 0.688 1.00 0.00 C ATOM 0 H ILE A 41 10.851 7.824 -1.920 1.00 0.00 H new ATOM 0 HA ILE A 41 12.321 9.767 -0.293 1.00 0.00 H new ATOM 0 HB ILE A 41 9.412 9.040 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.998 11.636 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.897 11.128 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.552 9.943 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.537 8.473 2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.320 10.070 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.851 12.798 0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.004 11.238 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.123 11.754 1.761 1.00 0.00 H new ATOM 657 N LYS A 42 12.823 7.865 1.356 1.00 0.00 N ATOM 658 CA LYS A 42 13.328 6.696 2.067 1.00 0.00 C ATOM 659 C LYS A 42 12.386 6.261 3.190 1.00 0.00 C ATOM 660 O LYS A 42 11.919 7.081 3.980 1.00 0.00 O ATOM 661 CB LYS A 42 14.723 6.976 2.631 1.00 0.00 C ATOM 662 CG LYS A 42 15.841 6.730 1.628 1.00 0.00 C ATOM 663 CD LYS A 42 17.136 6.324 2.319 1.00 0.00 C ATOM 664 CE LYS A 42 18.060 7.516 2.511 1.00 0.00 C ATOM 665 NZ LYS A 42 19.109 7.582 1.455 1.00 0.00 N ATOM 0 H LYS A 42 13.177 8.758 1.699 1.00 0.00 H new ATOM 0 HA LYS A 42 13.387 5.879 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.769 8.011 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.886 6.348 3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.539 5.948 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 42 16.009 7.633 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 42 16.909 5.878 3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.642 5.561 1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.474 8.435 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 42 18.534 7.454 3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 19.718 8.408 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.685 6.716 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 18.657 7.667 0.522 1.00 0.00 H new ATOM 679 N SER A 43 12.122 4.957 3.252 1.00 0.00 N ATOM 680 CA SER A 43 11.247 4.384 4.268 1.00 0.00 C ATOM 681 C SER A 43 11.784 3.028 4.727 1.00 0.00 C ATOM 682 O SER A 43 12.413 2.310 3.950 1.00 0.00 O ATOM 683 CB SER A 43 9.820 4.233 3.735 1.00 0.00 C ATOM 684 OG SER A 43 9.617 2.967 3.137 1.00 0.00 O ATOM 0 H SER A 43 12.508 4.272 2.602 1.00 0.00 H new ATOM 0 HA SER A 43 11.225 5.062 5.121 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.110 4.368 4.551 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.619 5.017 3.005 1.00 0.00 H new ATOM 0 HG SER A 43 8.695 2.674 3.296 1.00 0.00 H new ATOM 690 N THR A 44 11.538 2.679 5.986 1.00 0.00 N ATOM 691 CA THR A 44 12.008 1.401 6.525 1.00 0.00 C ATOM 692 C THR A 44 10.864 0.394 6.576 1.00 0.00 C ATOM 693 O THR A 44 9.767 0.707 7.037 1.00 0.00 O ATOM 694 CB THR A 44 12.608 1.591 7.922 1.00 0.00 C ATOM 695 OG1 THR A 44 12.885 2.959 8.168 1.00 0.00 O ATOM 696 CG2 THR A 44 13.893 0.816 8.132 1.00 0.00 C ATOM 0 H THR A 44 11.021 3.255 6.650 1.00 0.00 H new ATOM 0 HA THR A 44 12.785 1.016 5.865 1.00 0.00 H new ATOM 0 HB THR A 44 11.856 1.211 8.614 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.266 3.059 9.065 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.265 0.995 9.141 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.702 -0.249 7.999 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.638 1.144 7.407 1.00 0.00 H new ATOM 704 N ALA A 45 11.120 -0.808 6.066 1.00 0.00 N ATOM 705 CA ALA A 45 10.105 -1.853 6.019 1.00 0.00 C ATOM 706 C ALA A 45 10.127 -2.762 7.242 1.00 0.00 C ATOM 707 O ALA A 45 11.183 -3.223 7.678 1.00 0.00 O ATOM 708 CB ALA A 45 10.274 -2.688 4.756 1.00 0.00 C ATOM 0 H ALA A 45 12.023 -1.081 5.679 1.00 0.00 H new ATOM 0 HA ALA A 45 9.138 -1.350 6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.511 -3.466 4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.170 -2.048 3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.262 -3.148 4.754 1.00 0.00 H new ATOM 714 N ASN A 46 8.936 -3.038 7.761 1.00 0.00 N ATOM 715 CA ASN A 46 8.773 -3.926 8.907 1.00 0.00 C ATOM 716 C ASN A 46 8.178 -5.254 8.430 1.00 0.00 C ATOM 717 O ASN A 46 7.121 -5.264 7.800 1.00 0.00 O ATOM 718 CB ASN A 46 7.858 -3.284 9.952 1.00 0.00 C ATOM 719 CG ASN A 46 8.628 -2.481 10.980 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.704 -2.885 11.423 1.00 0.00 O ATOM 721 ND2 ASN A 46 8.082 -1.333 11.366 1.00 0.00 N ATOM 0 H ASN A 46 8.061 -2.656 7.402 1.00 0.00 H new ATOM 0 HA ASN A 46 9.745 -4.105 9.367 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.140 -2.635 9.452 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.286 -4.062 10.457 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.556 -0.749 12.055 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.189 -1.036 10.974 1.00 0.00 H new ATOM 728 N ARG A 47 8.861 -6.370 8.692 1.00 0.00 N ATOM 729 CA ARG A 47 8.375 -7.666 8.235 1.00 0.00 C ATOM 730 C ARG A 47 7.333 -8.268 9.180 1.00 0.00 C ATOM 731 O ARG A 47 7.486 -8.234 10.402 1.00 0.00 O ATOM 732 CB ARG A 47 9.549 -8.625 8.044 1.00 0.00 C ATOM 733 CG ARG A 47 9.967 -8.762 6.586 1.00 0.00 C ATOM 734 CD ARG A 47 9.623 -10.129 6.010 1.00 0.00 C ATOM 735 NE ARG A 47 8.435 -10.720 6.624 1.00 0.00 N ATOM 736 CZ ARG A 47 8.153 -12.021 6.587 1.00 0.00 C ATOM 737 NH1 ARG A 47 8.964 -12.867 5.962 1.00 0.00 N ATOM 738 NH2 ARG A 47 7.057 -12.479 7.176 1.00 0.00 N ATOM 0 H ARG A 47 9.739 -6.400 9.211 1.00 0.00 H new ATOM 0 HA ARG A 47 7.876 -7.509 7.279 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.399 -8.273 8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.278 -9.606 8.433 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.476 -7.988 5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.041 -8.595 6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.463 -10.036 4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.470 -10.800 6.149 1.00 0.00 H new ATOM 0 HE ARG A 47 7.785 -10.101 7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.809 -12.521 5.507 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.742 -13.862 5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.430 -11.835 7.658 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.841 -13.475 7.148 1.00 0.00 H new ATOM 752 N TRP A 48 6.275 -8.826 8.589 1.00 0.00 N ATOM 753 CA TRP A 48 5.190 -9.454 9.338 1.00 0.00 C ATOM 754 C TRP A 48 4.537 -10.541 8.491 1.00 0.00 C ATOM 755 O TRP A 48 4.514 -10.439 7.267 1.00 0.00 O ATOM 756 CB TRP A 48 4.140 -8.422 9.761 1.00 0.00 C ATOM 757 CG TRP A 48 2.994 -9.021 10.523 1.00 0.00 C ATOM 758 CD1 TRP A 48 1.983 -9.790 10.017 1.00 0.00 C ATOM 759 CD2 TRP A 48 2.743 -8.903 11.928 1.00 0.00 C ATOM 760 NE1 TRP A 48 1.118 -10.154 11.021 1.00 0.00 N ATOM 761 CE2 TRP A 48 1.564 -9.621 12.205 1.00 0.00 C ATOM 762 CE3 TRP A 48 3.405 -8.258 12.977 1.00 0.00 C ATOM 763 CZ2 TRP A 48 1.036 -9.711 13.490 1.00 0.00 C ATOM 764 CZ3 TRP A 48 2.876 -8.348 14.251 1.00 0.00 C ATOM 765 CH2 TRP A 48 1.703 -9.071 14.498 1.00 0.00 C ATOM 0 H TRP A 48 6.148 -8.854 7.577 1.00 0.00 H new ATOM 0 HA TRP A 48 5.612 -9.899 10.239 1.00 0.00 H new ATOM 0 HB2 TRP A 48 4.617 -7.659 10.376 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.755 -7.921 8.873 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.879 -10.071 8.979 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.282 -10.726 10.905 1.00 0.00 H new ATOM 0 HE3 TRP A 48 4.312 -7.700 12.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.131 -10.267 13.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.376 -7.852 15.070 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.317 -9.125 15.505 1.00 0.00 H new ATOM 776 N GLY A 49 4.024 -11.583 9.148 1.00 0.00 N ATOM 777 CA GLY A 49 3.387 -12.687 8.441 1.00 0.00 C ATOM 778 C GLY A 49 2.635 -12.258 7.189 1.00 0.00 C ATOM 779 O GLY A 49 1.459 -11.897 7.251 1.00 0.00 O ATOM 0 H GLY A 49 4.039 -11.682 10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.148 -13.417 8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.694 -13.188 9.117 1.00 0.00 H new ATOM 783 N ASP A 50 3.323 -12.306 6.051 1.00 0.00 N ATOM 784 CA ASP A 50 2.732 -11.929 4.770 1.00 0.00 C ATOM 785 C ASP A 50 2.107 -10.534 4.821 1.00 0.00 C ATOM 786 O ASP A 50 1.194 -10.223 4.054 1.00 0.00 O ATOM 787 CB ASP A 50 1.689 -12.961 4.349 1.00 0.00 C ATOM 788 CG ASP A 50 2.238 -14.373 4.369 1.00 0.00 C ATOM 789 OD1 ASP A 50 2.807 -14.774 5.408 1.00 0.00 O ATOM 790 OD2 ASP A 50 2.102 -15.079 3.348 1.00 0.00 O ATOM 0 H ASP A 50 4.297 -12.604 5.990 1.00 0.00 H new ATOM 0 HA ASP A 50 3.532 -11.903 4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.829 -12.898 5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.333 -12.726 3.346 1.00 0.00 H new ATOM 795 N GLU A 51 2.614 -9.697 5.719 1.00 0.00 N ATOM 796 CA GLU A 51 2.125 -8.329 5.866 1.00 0.00 C ATOM 797 C GLU A 51 3.300 -7.371 6.027 1.00 0.00 C ATOM 798 O GLU A 51 4.274 -7.685 6.712 1.00 0.00 O ATOM 799 CB GLU A 51 1.191 -8.219 7.074 1.00 0.00 C ATOM 800 CG GLU A 51 0.542 -6.851 7.225 1.00 0.00 C ATOM 801 CD GLU A 51 -0.071 -6.345 5.934 1.00 0.00 C ATOM 802 OE1 GLU A 51 -1.252 -6.660 5.673 1.00 0.00 O ATOM 803 OE2 GLU A 51 0.629 -5.634 5.183 1.00 0.00 O ATOM 0 H GLU A 51 3.368 -9.943 6.360 1.00 0.00 H new ATOM 0 HA GLU A 51 1.566 -8.062 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.410 -8.974 6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.754 -8.446 7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.230 -6.903 7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.288 -6.136 7.572 1.00 0.00 H new ATOM 810 N ILE A 52 3.220 -6.209 5.386 1.00 0.00 N ATOM 811 CA ILE A 52 4.299 -5.234 5.465 1.00 0.00 C ATOM 812 C ILE A 52 3.761 -3.809 5.601 1.00 0.00 C ATOM 813 O ILE A 52 3.005 -3.338 4.758 1.00 0.00 O ATOM 814 CB ILE A 52 5.233 -5.345 4.227 1.00 0.00 C ATOM 815 CG1 ILE A 52 6.671 -5.648 4.668 1.00 0.00 C ATOM 816 CG2 ILE A 52 5.201 -4.082 3.371 1.00 0.00 C ATOM 817 CD1 ILE A 52 6.945 -7.117 4.933 1.00 0.00 C ATOM 0 H ILE A 52 2.427 -5.923 4.812 1.00 0.00 H new ATOM 0 HA ILE A 52 4.878 -5.459 6.361 1.00 0.00 H new ATOM 0 HB ILE A 52 4.863 -6.167 3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.357 -5.295 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.889 -5.081 5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.868 -4.204 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.185 -3.909 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.527 -3.230 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.983 -7.244 5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.287 -7.473 5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.762 -7.691 4.024 1.00 0.00 H new ATOM 829 N TYR A 53 4.169 -3.130 6.668 1.00 0.00 N ATOM 830 CA TYR A 53 3.739 -1.756 6.916 1.00 0.00 C ATOM 831 C TYR A 53 4.937 -0.859 7.214 1.00 0.00 C ATOM 832 O TYR A 53 5.712 -1.124 8.133 1.00 0.00 O ATOM 833 CB TYR A 53 2.737 -1.699 8.075 1.00 0.00 C ATOM 834 CG TYR A 53 3.310 -2.149 9.405 1.00 0.00 C ATOM 835 CD1 TYR A 53 3.983 -1.257 10.234 1.00 0.00 C ATOM 836 CD2 TYR A 53 3.172 -3.464 9.831 1.00 0.00 C ATOM 837 CE1 TYR A 53 4.504 -1.668 11.447 1.00 0.00 C ATOM 838 CE2 TYR A 53 3.690 -3.879 11.044 1.00 0.00 C ATOM 839 CZ TYR A 53 4.354 -2.978 11.848 1.00 0.00 C ATOM 840 OH TYR A 53 4.871 -3.389 13.055 1.00 0.00 O ATOM 0 H TYR A 53 4.798 -3.508 7.377 1.00 0.00 H new ATOM 0 HA TYR A 53 3.247 -1.392 6.014 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.370 -0.677 8.175 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.878 -2.324 7.831 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.100 -0.229 9.926 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.652 -4.174 9.205 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.027 -0.965 12.078 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.575 -4.905 11.360 1.00 0.00 H new ATOM 0 HH TYR A 53 4.678 -4.341 13.187 1.00 0.00 H new ATOM 850 N PHE A 54 5.085 0.204 6.427 1.00 0.00 N ATOM 851 CA PHE A 54 6.188 1.140 6.607 1.00 0.00 C ATOM 852 C PHE A 54 5.695 2.585 6.575 1.00 0.00 C ATOM 853 O PHE A 54 4.771 2.919 5.833 1.00 0.00 O ATOM 854 CB PHE A 54 7.258 0.924 5.525 1.00 0.00 C ATOM 855 CG PHE A 54 6.826 1.308 4.129 1.00 0.00 C ATOM 856 CD1 PHE A 54 6.575 2.633 3.797 1.00 0.00 C ATOM 857 CD2 PHE A 54 6.672 0.340 3.148 1.00 0.00 C ATOM 858 CE1 PHE A 54 6.179 2.979 2.519 1.00 0.00 C ATOM 859 CE2 PHE A 54 6.276 0.683 1.869 1.00 0.00 C ATOM 860 CZ PHE A 54 6.027 2.003 1.554 1.00 0.00 C ATOM 0 H PHE A 54 4.455 0.437 5.660 1.00 0.00 H new ATOM 0 HA PHE A 54 6.630 0.951 7.585 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.144 1.501 5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.550 -0.126 5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.691 3.402 4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.864 -0.696 3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.988 4.014 2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.161 -0.083 1.116 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.714 2.272 0.556 1.00 0.00 H new ATOM 870 N THR A 55 6.329 3.440 7.371 1.00 0.00 N ATOM 871 CA THR A 55 5.962 4.856 7.417 1.00 0.00 C ATOM 872 C THR A 55 6.802 5.639 6.410 1.00 0.00 C ATOM 873 O THR A 55 7.958 5.297 6.165 1.00 0.00 O ATOM 874 CB THR A 55 6.168 5.415 8.826 1.00 0.00 C ATOM 875 OG1 THR A 55 6.201 4.369 9.782 1.00 0.00 O ATOM 876 CG2 THR A 55 5.087 6.387 9.249 1.00 0.00 C ATOM 0 H THR A 55 7.096 3.181 7.991 1.00 0.00 H new ATOM 0 HA THR A 55 4.908 4.957 7.158 1.00 0.00 H new ATOM 0 HB THR A 55 7.119 5.947 8.788 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.335 4.747 10.676 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.294 6.745 10.257 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.068 7.232 8.561 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.120 5.885 9.234 1.00 0.00 H new ATOM 884 N THR A 56 6.221 6.680 5.819 1.00 0.00 N ATOM 885 CA THR A 56 6.939 7.481 4.828 1.00 0.00 C ATOM 886 C THR A 56 7.107 8.934 5.278 1.00 0.00 C ATOM 887 O THR A 56 7.601 9.769 4.520 1.00 0.00 O ATOM 888 CB THR A 56 6.215 7.433 3.482 1.00 0.00 C ATOM 889 OG1 THR A 56 4.972 6.765 3.601 1.00 0.00 O ATOM 890 CG2 THR A 56 7.012 6.730 2.403 1.00 0.00 C ATOM 0 H THR A 56 5.266 6.987 6.005 1.00 0.00 H new ATOM 0 HA THR A 56 7.934 7.050 4.722 1.00 0.00 H new ATOM 0 HB THR A 56 6.075 8.474 3.192 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.525 6.747 2.729 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.444 6.730 1.473 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.957 7.251 2.251 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.210 5.702 2.708 1.00 0.00 H new ATOM 898 N GLN A 57 6.699 9.227 6.510 1.00 0.00 N ATOM 899 CA GLN A 57 6.807 10.581 7.067 1.00 0.00 C ATOM 900 C GLN A 57 5.648 11.474 6.626 1.00 0.00 C ATOM 901 O GLN A 57 5.496 12.587 7.131 1.00 0.00 O ATOM 902 CB GLN A 57 8.149 11.238 6.692 1.00 0.00 C ATOM 903 CG GLN A 57 9.330 10.279 6.711 1.00 0.00 C ATOM 904 CD GLN A 57 10.435 10.730 7.646 1.00 0.00 C ATOM 905 OE1 GLN A 57 10.270 10.728 8.867 1.00 0.00 O ATOM 906 NE2 GLN A 57 11.570 11.120 7.077 1.00 0.00 N ATOM 0 H GLN A 57 6.288 8.545 7.147 1.00 0.00 H new ATOM 0 HA GLN A 57 6.760 10.476 8.151 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.063 11.674 5.697 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.347 12.057 7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.985 9.290 7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.730 10.182 5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.663 11.105 6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.349 11.434 7.656 1.00 0.00 H new ATOM 915 N VAL A 58 4.820 10.992 5.698 1.00 0.00 N ATOM 916 CA VAL A 58 3.678 11.774 5.235 1.00 0.00 C ATOM 917 C VAL A 58 2.475 11.526 6.138 1.00 0.00 C ATOM 918 O VAL A 58 1.966 10.408 6.217 1.00 0.00 O ATOM 919 CB VAL A 58 3.310 11.458 3.767 1.00 0.00 C ATOM 920 CG1 VAL A 58 2.914 9.998 3.594 1.00 0.00 C ATOM 921 CG2 VAL A 58 2.195 12.377 3.288 1.00 0.00 C ATOM 0 H VAL A 58 4.918 10.077 5.259 1.00 0.00 H new ATOM 0 HA VAL A 58 3.963 12.825 5.282 1.00 0.00 H new ATOM 0 HB VAL A 58 4.195 11.635 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.662 9.811 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.747 9.358 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.050 9.779 4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.948 12.141 2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.313 12.235 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.524 13.414 3.355 1.00 0.00 H new ATOM 931 N ALA A 59 2.033 12.570 6.836 1.00 0.00 N ATOM 932 CA ALA A 59 0.900 12.444 7.749 1.00 0.00 C ATOM 933 C ALA A 59 -0.379 13.015 7.150 1.00 0.00 C ATOM 934 O ALA A 59 -0.647 14.210 7.252 1.00 0.00 O ATOM 935 CB ALA A 59 1.199 13.117 9.086 1.00 0.00 C ATOM 0 H ALA A 59 2.438 13.505 6.788 1.00 0.00 H new ATOM 0 HA ALA A 59 0.744 11.378 7.917 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.340 13.009 9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.070 12.648 9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.401 14.176 8.923 1.00 0.00 H new ATOM 941 N VAL A 60 -1.170 12.141 6.540 1.00 0.00 N ATOM 942 CA VAL A 60 -2.435 12.543 5.936 1.00 0.00 C ATOM 943 C VAL A 60 -3.555 11.600 6.374 1.00 0.00 C ATOM 944 O VAL A 60 -3.616 10.452 5.933 1.00 0.00 O ATOM 945 CB VAL A 60 -2.333 12.560 4.392 1.00 0.00 C ATOM 946 CG1 VAL A 60 -1.786 11.236 3.866 1.00 0.00 C ATOM 947 CG2 VAL A 60 -3.680 12.883 3.758 1.00 0.00 C ATOM 0 H VAL A 60 -0.958 11.147 6.450 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.665 13.553 6.276 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.634 13.348 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.724 11.274 2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.793 11.063 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.450 10.424 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.579 12.888 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.410 12.129 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.016 13.863 4.096 1.00 0.00 H new ATOM 957 N GLU A 61 -4.432 12.081 7.254 1.00 0.00 N ATOM 958 CA GLU A 61 -5.531 11.261 7.752 1.00 0.00 C ATOM 959 C GLU A 61 -6.868 11.990 7.647 1.00 0.00 C ATOM 960 O GLU A 61 -6.986 13.154 8.031 1.00 0.00 O ATOM 961 CB GLU A 61 -5.267 10.858 9.205 1.00 0.00 C ATOM 962 CG GLU A 61 -4.874 9.400 9.367 1.00 0.00 C ATOM 963 CD GLU A 61 -4.792 8.977 10.821 1.00 0.00 C ATOM 964 OE1 GLU A 61 -5.855 8.749 11.434 1.00 0.00 O ATOM 965 OE2 GLU A 61 -3.662 8.872 11.345 1.00 0.00 O ATOM 0 H GLU A 61 -4.402 13.027 7.633 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.588 10.367 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.474 11.487 9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.162 11.053 9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.600 8.772 8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.909 9.232 8.888 1.00 0.00 H new ATOM 972 N LYS A 62 -7.874 11.291 7.131 1.00 0.00 N ATOM 973 CA LYS A 62 -9.209 11.858 6.982 1.00 0.00 C ATOM 974 C LYS A 62 -10.272 10.809 7.319 1.00 0.00 C ATOM 975 O LYS A 62 -9.971 9.617 7.390 1.00 0.00 O ATOM 976 CB LYS A 62 -9.408 12.373 5.553 1.00 0.00 C ATOM 977 CG LYS A 62 -10.800 12.925 5.286 1.00 0.00 C ATOM 978 CD LYS A 62 -10.895 13.544 3.900 1.00 0.00 C ATOM 979 CE LYS A 62 -12.127 14.426 3.768 1.00 0.00 C ATOM 980 NZ LYS A 62 -11.934 15.499 2.755 1.00 0.00 N ATOM 0 H LYS A 62 -7.789 10.327 6.808 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.313 12.694 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.674 13.153 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.209 11.561 4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.534 12.125 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.047 13.674 6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.000 14.134 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.929 12.755 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.984 13.813 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.357 14.876 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.796 16.078 2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.132 16.099 3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.740 15.070 1.828 1.00 0.00 H new ATOM 994 N GLU A 63 -11.509 11.251 7.532 1.00 0.00 N ATOM 995 CA GLU A 63 -12.597 10.336 7.863 1.00 0.00 C ATOM 996 C GLU A 63 -13.436 10.018 6.631 1.00 0.00 C ATOM 997 O GLU A 63 -14.401 10.718 6.323 1.00 0.00 O ATOM 998 CB GLU A 63 -13.489 10.932 8.954 1.00 0.00 C ATOM 999 CG GLU A 63 -12.731 11.739 9.995 1.00 0.00 C ATOM 1000 CD GLU A 63 -12.553 13.190 9.593 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -13.399 13.701 8.828 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -11.570 13.816 10.043 1.00 0.00 O ATOM 0 H GLU A 63 -11.782 12.233 7.482 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.153 9.411 8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.239 11.571 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.025 10.125 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.264 11.692 10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.752 11.288 10.156 1.00 0.00 H new ATOM 1009 N GLU A 64 -13.059 8.956 5.928 1.00 0.00 N ATOM 1010 CA GLU A 64 -13.774 8.540 4.727 1.00 0.00 C ATOM 1011 C GLU A 64 -13.287 7.168 4.259 1.00 0.00 C ATOM 1012 O GLU A 64 -12.177 6.750 4.588 1.00 0.00 O ATOM 1013 CB GLU A 64 -13.589 9.594 3.622 1.00 0.00 C ATOM 1014 CG GLU A 64 -13.616 9.038 2.205 1.00 0.00 C ATOM 1015 CD GLU A 64 -13.871 10.111 1.164 1.00 0.00 C ATOM 1016 OE1 GLU A 64 -13.344 11.232 1.327 1.00 0.00 O ATOM 1017 OE2 GLU A 64 -14.595 9.830 0.186 1.00 0.00 O ATOM 0 H GLU A 64 -12.262 8.367 6.169 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.836 8.456 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.374 10.344 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.639 10.104 3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.666 8.549 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.391 8.275 2.132 1.00 0.00 H new ATOM 1024 N ASN A 65 -14.120 6.472 3.487 1.00 0.00 N ATOM 1025 CA ASN A 65 -13.764 5.155 2.971 1.00 0.00 C ATOM 1026 C ASN A 65 -13.557 4.161 4.111 1.00 0.00 C ATOM 1027 O ASN A 65 -14.461 3.397 4.452 1.00 0.00 O ATOM 1028 CB ASN A 65 -12.496 5.247 2.112 1.00 0.00 C ATOM 1029 CG ASN A 65 -12.061 3.900 1.569 1.00 0.00 C ATOM 1030 OD1 ASN A 65 -11.879 2.944 2.324 1.00 0.00 O ATOM 1031 ND2 ASN A 65 -11.895 3.815 0.255 1.00 0.00 N ATOM 0 H ASN A 65 -15.044 6.799 3.206 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.587 4.798 2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.673 5.930 1.281 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.688 5.673 2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.606 2.932 -0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.057 4.632 -0.333 1.00 0.00 H new ATOM 1038 N SER A 66 -12.360 4.189 4.694 1.00 0.00 N ATOM 1039 CA SER A 66 -11.998 3.304 5.807 1.00 0.00 C ATOM 1040 C SER A 66 -12.700 1.942 5.720 1.00 0.00 C ATOM 1041 O SER A 66 -13.702 1.715 6.399 1.00 0.00 O ATOM 1042 CB SER A 66 -12.346 3.974 7.138 1.00 0.00 C ATOM 1043 OG SER A 66 -11.264 4.760 7.612 1.00 0.00 O ATOM 0 H SER A 66 -11.613 4.823 4.411 1.00 0.00 H new ATOM 0 HA SER A 66 -10.924 3.127 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.228 4.602 7.013 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.598 3.213 7.877 1.00 0.00 H new ATOM 0 HG SER A 66 -11.512 5.179 8.463 1.00 0.00 H new ATOM 1049 N LYS A 67 -12.168 1.031 4.904 1.00 0.00 N ATOM 1050 CA LYS A 67 -12.767 -0.305 4.777 1.00 0.00 C ATOM 1051 C LYS A 67 -11.962 -1.325 5.581 1.00 0.00 C ATOM 1052 O LYS A 67 -10.794 -1.097 5.889 1.00 0.00 O ATOM 1053 CB LYS A 67 -12.887 -0.762 3.308 1.00 0.00 C ATOM 1054 CG LYS A 67 -11.590 -0.718 2.511 1.00 0.00 C ATOM 1055 CD LYS A 67 -10.715 -1.927 2.804 1.00 0.00 C ATOM 1056 CE LYS A 67 -9.413 -1.875 2.028 1.00 0.00 C ATOM 1057 NZ LYS A 67 -8.386 -2.786 2.606 1.00 0.00 N ATOM 0 H LYS A 67 -11.339 1.185 4.330 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.779 -0.241 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.272 -1.782 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.625 -0.135 2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.817 -0.682 1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.044 0.194 2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.501 -1.972 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.255 -2.838 2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.598 -2.149 0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.032 -0.854 2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.808 -3.187 1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.776 -2.252 3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.856 -3.555 3.124 1.00 0.00 H new ATOM 1071 N ASP A 68 -12.596 -2.443 5.936 1.00 0.00 N ATOM 1072 CA ASP A 68 -11.923 -3.476 6.723 1.00 0.00 C ATOM 1073 C ASP A 68 -11.954 -4.846 6.041 1.00 0.00 C ATOM 1074 O ASP A 68 -11.435 -5.820 6.586 1.00 0.00 O ATOM 1075 CB ASP A 68 -12.564 -3.579 8.109 1.00 0.00 C ATOM 1076 CG ASP A 68 -14.075 -3.672 8.041 1.00 0.00 C ATOM 1077 OD1 ASP A 68 -14.724 -2.633 7.796 1.00 0.00 O ATOM 1078 OD2 ASP A 68 -14.611 -4.783 8.235 1.00 0.00 O ATOM 0 H ASP A 68 -13.564 -2.655 5.694 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.878 -3.178 6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.171 -4.456 8.624 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.283 -2.709 8.702 1.00 0.00 H new ATOM 1083 N VAL A 69 -12.558 -4.930 4.857 1.00 0.00 N ATOM 1084 CA VAL A 69 -12.627 -6.204 4.140 1.00 0.00 C ATOM 1085 C VAL A 69 -12.093 -6.077 2.714 1.00 0.00 C ATOM 1086 O VAL A 69 -12.376 -5.103 2.018 1.00 0.00 O ATOM 1087 CB VAL A 69 -14.071 -6.760 4.108 1.00 0.00 C ATOM 1088 CG1 VAL A 69 -14.911 -6.080 3.032 1.00 0.00 C ATOM 1089 CG2 VAL A 69 -14.052 -8.267 3.899 1.00 0.00 C ATOM 0 H VAL A 69 -13.001 -4.145 4.379 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.995 -6.904 4.687 1.00 0.00 H new ATOM 0 HB VAL A 69 -14.533 -6.543 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -15.918 -6.496 3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -14.959 -5.009 3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -14.457 -6.248 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -15.074 -8.644 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -13.561 -8.497 2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -13.507 -8.741 4.715 1.00 0.00 H new ATOM 1099 N VAL A 70 -11.326 -7.078 2.290 1.00 0.00 N ATOM 1100 CA VAL A 70 -10.746 -7.096 0.945 1.00 0.00 C ATOM 1101 C VAL A 70 -10.334 -8.514 0.551 1.00 0.00 C ATOM 1102 O VAL A 70 -10.229 -9.392 1.408 1.00 0.00 O ATOM 1103 CB VAL A 70 -9.518 -6.158 0.839 1.00 0.00 C ATOM 1104 CG1 VAL A 70 -9.930 -4.709 1.051 1.00 0.00 C ATOM 1105 CG2 VAL A 70 -8.418 -6.545 1.828 1.00 0.00 C ATOM 0 H VAL A 70 -11.090 -7.891 2.859 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.516 -6.738 0.261 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.113 -6.268 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.053 -4.066 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.658 -4.423 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.374 -4.598 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.575 -5.862 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.806 -6.486 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.088 -7.564 1.625 1.00 0.00 H new ATOM 1115 N GLU A 71 -10.083 -8.743 -0.743 1.00 0.00 N ATOM 1116 CA GLU A 71 -9.664 -10.074 -1.200 1.00 0.00 C ATOM 1117 C GLU A 71 -8.335 -9.996 -1.949 1.00 0.00 C ATOM 1118 O GLU A 71 -7.937 -8.934 -2.429 1.00 0.00 O ATOM 1119 CB GLU A 71 -10.734 -10.763 -2.081 1.00 0.00 C ATOM 1120 CG GLU A 71 -11.215 -12.095 -1.524 1.00 0.00 C ATOM 1121 CD GLU A 71 -10.080 -13.046 -1.200 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -9.441 -13.553 -2.146 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -9.831 -13.284 0.001 1.00 0.00 O ATOM 0 H GLU A 71 -10.160 -8.041 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.537 -10.686 -0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.588 -10.095 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.324 -10.922 -3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.800 -11.915 -0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.881 -12.566 -2.247 1.00 0.00 H new ATOM 1130 N LEU A 72 -7.650 -11.133 -2.022 1.00 0.00 N ATOM 1131 CA LEU A 72 -6.345 -11.238 -2.687 1.00 0.00 C ATOM 1132 C LEU A 72 -6.273 -10.397 -3.963 1.00 0.00 C ATOM 1133 O LEU A 72 -7.141 -10.493 -4.830 1.00 0.00 O ATOM 1134 CB LEU A 72 -6.054 -12.711 -3.026 1.00 0.00 C ATOM 1135 CG LEU A 72 -4.807 -12.975 -3.884 1.00 0.00 C ATOM 1136 CD1 LEU A 72 -3.704 -13.602 -3.044 1.00 0.00 C ATOM 1137 CD2 LEU A 72 -5.153 -13.881 -5.058 1.00 0.00 C ATOM 0 H LEU A 72 -7.980 -12.012 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.595 -10.852 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.951 -13.264 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.920 -13.121 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.449 -12.021 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.829 -13.782 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.437 -12.927 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.055 -14.547 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.259 -14.059 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.534 -14.831 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.913 -13.402 -5.675 1.00 0.00 H new ATOM 1149 N GLY A 73 -5.218 -9.586 -4.079 1.00 0.00 N ATOM 1150 CA GLY A 73 -5.045 -8.763 -5.268 1.00 0.00 C ATOM 1151 C GLY A 73 -5.145 -7.267 -5.007 1.00 0.00 C ATOM 1152 O GLY A 73 -4.514 -6.475 -5.705 1.00 0.00 O ATOM 0 H GLY A 73 -4.486 -9.485 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.072 -8.980 -5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.798 -9.044 -6.004 1.00 0.00 H new ATOM 1156 N ASP A 74 -5.951 -6.873 -4.026 1.00 0.00 N ATOM 1157 CA ASP A 74 -6.133 -5.454 -3.719 1.00 0.00 C ATOM 1158 C ASP A 74 -5.104 -4.941 -2.708 1.00 0.00 C ATOM 1159 O ASP A 74 -4.548 -5.705 -1.921 1.00 0.00 O ATOM 1160 CB ASP A 74 -7.549 -5.198 -3.199 1.00 0.00 C ATOM 1161 CG ASP A 74 -8.001 -6.246 -2.203 1.00 0.00 C ATOM 1162 OD1 ASP A 74 -7.217 -6.570 -1.287 1.00 0.00 O ATOM 1163 OD2 ASP A 74 -9.139 -6.742 -2.340 1.00 0.00 O ATOM 0 H ASP A 74 -6.485 -7.508 -3.433 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.981 -4.905 -4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.588 -4.215 -2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.243 -5.177 -4.039 1.00 0.00 H new ATOM 1168 N VAL A 75 -4.875 -3.626 -2.742 1.00 0.00 N ATOM 1169 CA VAL A 75 -3.924 -2.968 -1.831 1.00 0.00 C ATOM 1170 C VAL A 75 -4.654 -1.930 -0.967 1.00 0.00 C ATOM 1171 O VAL A 75 -5.685 -1.402 -1.385 1.00 0.00 O ATOM 1172 CB VAL A 75 -2.783 -2.270 -2.618 1.00 0.00 C ATOM 1173 CG1 VAL A 75 -1.709 -1.727 -1.683 1.00 0.00 C ATOM 1174 CG2 VAL A 75 -2.174 -3.228 -3.630 1.00 0.00 C ATOM 0 H VAL A 75 -5.336 -2.990 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.487 -3.737 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.216 -1.423 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.926 -1.245 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.153 -1.000 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.279 -2.547 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.375 -2.723 -4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.767 -4.096 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.942 -3.552 -4.332 1.00 0.00 H new ATOM 1184 N ALA A 76 -4.151 -1.640 0.244 1.00 0.00 N ATOM 1185 CA ALA A 76 -4.819 -0.674 1.111 1.00 0.00 C ATOM 1186 C ALA A 76 -3.836 0.113 1.974 1.00 0.00 C ATOM 1187 O ALA A 76 -2.775 -0.391 2.344 1.00 0.00 O ATOM 1188 CB ALA A 76 -5.834 -1.387 1.993 1.00 0.00 C ATOM 0 H ALA A 76 -3.303 -2.053 0.633 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.327 0.044 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.329 -0.661 2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.576 -1.882 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.324 -2.129 2.607 1.00 0.00 H new ATOM 1194 N TYR A 77 -4.207 1.353 2.303 1.00 0.00 N ATOM 1195 CA TYR A 77 -3.367 2.209 3.136 1.00 0.00 C ATOM 1196 C TYR A 77 -4.004 2.392 4.515 1.00 0.00 C ATOM 1197 O TYR A 77 -5.167 2.781 4.623 1.00 0.00 O ATOM 1198 CB TYR A 77 -3.138 3.568 2.451 1.00 0.00 C ATOM 1199 CG TYR A 77 -3.609 4.767 3.248 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -2.918 5.188 4.376 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -4.745 5.477 2.874 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -3.343 6.279 5.108 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -5.175 6.570 3.601 1.00 0.00 C ATOM 1204 CZ TYR A 77 -4.470 6.966 4.716 1.00 0.00 C ATOM 1205 OH TYR A 77 -4.897 8.053 5.443 1.00 0.00 O ATOM 0 H TYR A 77 -5.082 1.784 2.005 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.397 1.730 3.268 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.073 3.681 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.650 3.565 1.489 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.033 4.653 4.686 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.300 5.169 2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.794 6.592 5.984 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.059 7.111 3.297 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.194 8.736 5.453 1.00 0.00 H new ATOM 1215 N TRP A 78 -3.238 2.109 5.564 1.00 0.00 N ATOM 1216 CA TRP A 78 -3.737 2.242 6.930 1.00 0.00 C ATOM 1217 C TRP A 78 -3.994 3.709 7.274 1.00 0.00 C ATOM 1218 O TRP A 78 -3.059 4.504 7.367 1.00 0.00 O ATOM 1219 CB TRP A 78 -2.737 1.641 7.925 1.00 0.00 C ATOM 1220 CG TRP A 78 -3.368 1.180 9.203 1.00 0.00 C ATOM 1221 CD1 TRP A 78 -4.697 1.193 9.514 1.00 0.00 C ATOM 1222 CD2 TRP A 78 -2.696 0.634 10.345 1.00 0.00 C ATOM 1223 NE1 TRP A 78 -4.892 0.699 10.780 1.00 0.00 N ATOM 1224 CE2 TRP A 78 -3.679 0.346 11.311 1.00 0.00 C ATOM 1225 CE3 TRP A 78 -1.358 0.364 10.645 1.00 0.00 C ATOM 1226 CZ2 TRP A 78 -3.365 -0.200 12.552 1.00 0.00 C ATOM 1227 CZ3 TRP A 78 -1.048 -0.178 11.879 1.00 0.00 C ATOM 1228 CH2 TRP A 78 -2.048 -0.456 12.818 1.00 0.00 C ATOM 0 H TRP A 78 -2.273 1.787 5.496 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.679 1.698 7.000 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.231 0.798 7.455 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -1.973 2.384 8.154 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.482 1.542 8.859 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -5.793 0.609 11.249 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -0.580 0.575 9.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -4.134 -0.414 13.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.017 -0.390 12.122 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -1.774 -0.881 13.772 1.00 0.00 H new ATOM 1239 N ILE A 79 -5.265 4.067 7.461 1.00 0.00 N ATOM 1240 CA ILE A 79 -5.624 5.442 7.794 1.00 0.00 C ATOM 1241 C ILE A 79 -5.112 5.815 9.189 1.00 0.00 C ATOM 1242 O ILE A 79 -4.297 6.726 9.324 1.00 0.00 O ATOM 1243 CB ILE A 79 -7.156 5.672 7.667 1.00 0.00 C ATOM 1244 CG1 ILE A 79 -7.487 6.124 6.240 1.00 0.00 C ATOM 1245 CG2 ILE A 79 -7.666 6.687 8.689 1.00 0.00 C ATOM 1246 CD1 ILE A 79 -8.672 7.062 6.134 1.00 0.00 C ATOM 0 H ILE A 79 -6.056 3.428 7.388 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.138 6.101 7.075 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.662 4.730 7.876 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.612 6.617 5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.683 5.242 5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.741 6.818 8.566 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.458 6.326 9.696 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.164 7.642 8.535 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.832 7.329 5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.563 6.569 6.523 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.475 7.964 6.713 1.00 0.00 H new ATOM 1258 N PRO A 80 -5.564 5.114 10.250 1.00 0.00 N ATOM 1259 CA PRO A 80 -5.116 5.391 11.619 1.00 0.00 C ATOM 1260 C PRO A 80 -3.646 5.029 11.819 1.00 0.00 C ATOM 1261 O PRO A 80 -3.315 4.113 12.573 1.00 0.00 O ATOM 1262 CB PRO A 80 -6.012 4.499 12.494 1.00 0.00 C ATOM 1263 CG PRO A 80 -7.104 4.021 11.596 1.00 0.00 C ATOM 1264 CD PRO A 80 -6.526 4.004 10.212 1.00 0.00 C ATOM 0 HA PRO A 80 -5.194 6.450 11.865 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.449 3.662 12.906 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.416 5.058 13.339 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.443 3.027 11.889 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.969 4.681 11.649 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.040 3.054 9.988 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.292 4.158 9.452 1.00 0.00 H new ATOM 1272 N GLY A 81 -2.764 5.757 11.139 1.00 0.00 N ATOM 1273 CA GLY A 81 -1.338 5.499 11.252 1.00 0.00 C ATOM 1274 C GLY A 81 -0.546 5.993 10.049 1.00 0.00 C ATOM 1275 O GLY A 81 0.684 6.036 10.094 1.00 0.00 O ATOM 0 H GLY A 81 -3.011 6.522 10.511 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.958 5.981 12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.177 4.428 11.371 1.00 0.00 H new ATOM 1279 N LYS A 82 -1.240 6.368 8.970 1.00 0.00 N ATOM 1280 CA LYS A 82 -0.565 6.865 7.764 1.00 0.00 C ATOM 1281 C LYS A 82 0.441 5.843 7.241 1.00 0.00 C ATOM 1282 O LYS A 82 1.433 6.205 6.606 1.00 0.00 O ATOM 1283 CB LYS A 82 0.154 8.189 8.051 1.00 0.00 C ATOM 1284 CG LYS A 82 -0.494 9.039 9.139 1.00 0.00 C ATOM 1285 CD LYS A 82 0.401 9.145 10.364 1.00 0.00 C ATOM 1286 CE LYS A 82 -0.335 9.764 11.540 1.00 0.00 C ATOM 1287 NZ LYS A 82 -0.542 11.227 11.358 1.00 0.00 N ATOM 0 H LYS A 82 -2.257 6.338 8.905 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.328 7.030 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.183 7.974 8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.197 8.771 7.130 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.701 10.036 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.452 8.602 9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.761 8.154 10.640 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.277 9.747 10.124 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.301 9.273 11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.230 9.588 12.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.215 11.574 12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.366 11.723 11.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.921 11.408 10.407 1.00 0.00 H new ATOM 1301 N ALA A 83 0.184 4.571 7.517 1.00 0.00 N ATOM 1302 CA ALA A 83 1.070 3.498 7.077 1.00 0.00 C ATOM 1303 C ALA A 83 0.402 2.616 6.025 1.00 0.00 C ATOM 1304 O ALA A 83 -0.732 2.173 6.200 1.00 0.00 O ATOM 1305 CB ALA A 83 1.507 2.663 8.273 1.00 0.00 C ATOM 0 H ALA A 83 -0.631 4.256 8.044 1.00 0.00 H new ATOM 0 HA ALA A 83 1.948 3.951 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.168 1.864 7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.036 3.296 8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.630 2.230 8.754 1.00 0.00 H new ATOM 1311 N ILE A 84 1.119 2.352 4.935 1.00 0.00 N ATOM 1312 CA ILE A 84 0.601 1.510 3.858 1.00 0.00 C ATOM 1313 C ILE A 84 0.919 0.044 4.132 1.00 0.00 C ATOM 1314 O ILE A 84 1.976 -0.270 4.679 1.00 0.00 O ATOM 1315 CB ILE A 84 1.193 1.910 2.491 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.240 3.434 2.350 1.00 0.00 C ATOM 1317 CG2 ILE A 84 0.382 1.291 1.362 1.00 0.00 C ATOM 1318 CD1 ILE A 84 1.777 3.905 1.015 1.00 0.00 C ATOM 0 H ILE A 84 2.061 2.709 4.774 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.479 1.654 3.824 1.00 0.00 H new ATOM 0 HB ILE A 84 2.213 1.531 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.236 3.834 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.860 3.845 3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.812 1.582 0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.401 0.205 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.648 1.642 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.781 4.995 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.794 3.535 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.144 3.525 0.213 1.00 0.00 H new ATOM 1330 N CYS A 85 0.001 -0.854 3.778 1.00 0.00 N ATOM 1331 CA CYS A 85 0.216 -2.281 4.030 1.00 0.00 C ATOM 1332 C CYS A 85 -0.166 -3.156 2.831 1.00 0.00 C ATOM 1333 O CYS A 85 -1.248 -3.008 2.260 1.00 0.00 O ATOM 1334 CB CYS A 85 -0.578 -2.728 5.269 1.00 0.00 C ATOM 1335 SG CYS A 85 -1.036 -1.385 6.396 1.00 0.00 S ATOM 0 H CYS A 85 -0.884 -0.627 3.324 1.00 0.00 H new ATOM 0 HA CYS A 85 1.284 -2.413 4.204 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.486 -3.234 4.940 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.013 -3.460 5.819 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.701 -1.870 7.402 1.00 0.00 H new ATOM 1341 N LEU A 86 0.728 -4.086 2.471 1.00 0.00 N ATOM 1342 CA LEU A 86 0.487 -5.009 1.360 1.00 0.00 C ATOM 1343 C LEU A 86 -0.274 -6.240 1.853 1.00 0.00 C ATOM 1344 O LEU A 86 -0.287 -6.532 3.048 1.00 0.00 O ATOM 1345 CB LEU A 86 1.818 -5.448 0.733 1.00 0.00 C ATOM 1346 CG LEU A 86 2.060 -4.984 -0.707 1.00 0.00 C ATOM 1347 CD1 LEU A 86 3.441 -4.363 -0.842 1.00 0.00 C ATOM 1348 CD2 LEU A 86 1.911 -6.150 -1.676 1.00 0.00 C ATOM 0 H LEU A 86 1.626 -4.217 2.936 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.110 -4.494 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.632 -5.077 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.868 -6.537 0.758 1.00 0.00 H new ATOM 0 HG LEU A 86 1.313 -4.229 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.595 -4.039 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.520 -3.504 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.199 -5.100 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.086 -5.802 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.636 -6.925 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.903 -6.559 -1.601 1.00 0.00 H new ATOM 1360 N PHE A 87 -0.896 -6.964 0.927 1.00 0.00 N ATOM 1361 CA PHE A 87 -1.645 -8.168 1.280 1.00 0.00 C ATOM 1362 C PHE A 87 -1.351 -9.294 0.298 1.00 0.00 C ATOM 1363 O PHE A 87 -1.496 -9.127 -0.913 1.00 0.00 O ATOM 1364 CB PHE A 87 -3.144 -7.882 1.311 1.00 0.00 C ATOM 1365 CG PHE A 87 -3.492 -6.605 2.015 1.00 0.00 C ATOM 1366 CD1 PHE A 87 -3.442 -6.520 3.396 1.00 0.00 C ATOM 1367 CD2 PHE A 87 -3.864 -5.487 1.291 1.00 0.00 C ATOM 1368 CE1 PHE A 87 -3.756 -5.342 4.042 1.00 0.00 C ATOM 1369 CE2 PHE A 87 -4.181 -4.308 1.931 1.00 0.00 C ATOM 1370 CZ PHE A 87 -4.129 -4.234 3.309 1.00 0.00 C ATOM 0 H PHE A 87 -0.897 -6.741 -0.068 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.328 -8.480 2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.519 -7.838 0.289 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.654 -8.710 1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.154 -7.386 3.974 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.907 -5.538 0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.710 -5.287 5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.470 -3.442 1.354 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.380 -3.311 3.812 1.00 0.00 H new ATOM 1380 N PHE A 88 -0.937 -10.439 0.826 1.00 0.00 N ATOM 1381 CA PHE A 88 -0.622 -11.591 -0.008 1.00 0.00 C ATOM 1382 C PHE A 88 -0.558 -12.874 0.822 1.00 0.00 C ATOM 1383 O PHE A 88 0.439 -13.596 0.790 1.00 0.00 O ATOM 1384 CB PHE A 88 0.712 -11.360 -0.727 1.00 0.00 C ATOM 1385 CG PHE A 88 0.631 -11.566 -2.213 1.00 0.00 C ATOM 1386 CD1 PHE A 88 0.148 -10.566 -3.037 1.00 0.00 C ATOM 1387 CD2 PHE A 88 1.038 -12.762 -2.782 1.00 0.00 C ATOM 1388 CE1 PHE A 88 0.070 -10.752 -4.403 1.00 0.00 C ATOM 1389 CE2 PHE A 88 0.962 -12.955 -4.148 1.00 0.00 C ATOM 1390 CZ PHE A 88 0.477 -11.948 -4.960 1.00 0.00 C ATOM 0 H PHE A 88 -0.812 -10.594 1.826 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.416 -11.708 -0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.054 -10.345 -0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.461 -12.036 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.172 -9.628 -2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.419 -13.552 -2.151 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.309 -9.963 -5.035 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.281 -13.892 -4.580 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.416 -12.096 -6.028 1.00 0.00 H new ATOM 1400 N GLY A 89 -1.629 -13.164 1.564 1.00 0.00 N ATOM 1401 CA GLY A 89 -1.649 -14.370 2.376 1.00 0.00 C ATOM 1402 C GLY A 89 -2.475 -14.230 3.642 1.00 0.00 C ATOM 1403 O GLY A 89 -3.583 -14.758 3.724 1.00 0.00 O ATOM 0 H GLY A 89 -2.472 -12.592 1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.045 -15.193 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.627 -14.635 2.645 1.00 0.00 H new ATOM 1407 N LYS A 90 -1.936 -13.520 4.631 1.00 0.00 N ATOM 1408 CA LYS A 90 -2.643 -13.323 5.897 1.00 0.00 C ATOM 1409 C LYS A 90 -2.119 -12.104 6.656 1.00 0.00 C ATOM 1410 O LYS A 90 -1.136 -11.482 6.250 1.00 0.00 O ATOM 1411 CB LYS A 90 -2.564 -14.571 6.797 1.00 0.00 C ATOM 1412 CG LYS A 90 -1.166 -15.155 6.993 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.525 -15.538 5.672 1.00 0.00 C ATOM 1414 CE LYS A 90 0.483 -16.652 5.857 1.00 0.00 C ATOM 1415 NZ LYS A 90 0.826 -17.317 4.570 1.00 0.00 N ATOM 0 H LYS A 90 -1.020 -13.074 4.583 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.688 -13.148 5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.973 -14.318 7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.205 -15.344 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.537 -14.427 7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.226 -16.033 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.295 -15.854 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.034 -14.668 5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.389 -16.249 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.082 -17.391 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.519 -18.073 4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.034 -17.725 4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.233 -16.618 3.916 1.00 0.00 H new ATOM 1429 N THR A 91 -2.784 -11.771 7.762 1.00 0.00 N ATOM 1430 CA THR A 91 -2.401 -10.636 8.588 1.00 0.00 C ATOM 1431 C THR A 91 -2.423 -11.046 10.060 1.00 0.00 C ATOM 1432 O THR A 91 -2.648 -12.215 10.373 1.00 0.00 O ATOM 1433 CB THR A 91 -3.356 -9.464 8.336 1.00 0.00 C ATOM 1434 OG1 THR A 91 -4.308 -9.793 7.340 1.00 0.00 O ATOM 1435 CG2 THR A 91 -2.649 -8.202 7.890 1.00 0.00 C ATOM 0 H THR A 91 -3.598 -12.280 8.106 1.00 0.00 H new ATOM 0 HA THR A 91 -1.391 -10.318 8.329 1.00 0.00 H new ATOM 0 HB THR A 91 -3.837 -9.276 9.296 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.908 -9.031 7.197 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.382 -7.412 7.729 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.942 -7.890 8.659 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.113 -8.394 6.961 1.00 0.00 H new ATOM 1443 N PRO A 92 -2.194 -10.104 10.993 1.00 0.00 N ATOM 1444 CA PRO A 92 -2.196 -10.413 12.427 1.00 0.00 C ATOM 1445 C PRO A 92 -3.412 -11.235 12.852 1.00 0.00 C ATOM 1446 O PRO A 92 -3.380 -11.914 13.878 1.00 0.00 O ATOM 1447 CB PRO A 92 -2.218 -9.033 13.082 1.00 0.00 C ATOM 1448 CG PRO A 92 -1.544 -8.143 12.097 1.00 0.00 C ATOM 1449 CD PRO A 92 -1.911 -8.676 10.738 1.00 0.00 C ATOM 0 HA PRO A 92 -1.339 -11.023 12.714 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.238 -8.704 13.281 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.693 -9.038 14.037 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.874 -7.111 12.214 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.463 -8.150 12.240 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -2.779 -8.162 10.326 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.097 -8.549 10.024 1.00 0.00 H new ATOM 1457 N ILE A 93 -4.484 -11.171 12.064 1.00 0.00 N ATOM 1458 CA ILE A 93 -5.698 -11.916 12.377 1.00 0.00 C ATOM 1459 C ILE A 93 -6.233 -12.665 11.156 1.00 0.00 C ATOM 1460 O ILE A 93 -7.298 -12.340 10.633 1.00 0.00 O ATOM 1461 CB ILE A 93 -6.803 -10.982 12.916 1.00 0.00 C ATOM 1462 CG1 ILE A 93 -6.245 -10.077 14.016 1.00 0.00 C ATOM 1463 CG2 ILE A 93 -7.977 -11.798 13.435 1.00 0.00 C ATOM 1464 CD1 ILE A 93 -5.898 -8.686 13.535 1.00 0.00 C ATOM 0 H ILE A 93 -4.535 -10.615 11.211 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.428 -12.640 13.145 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.157 -10.351 12.100 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.977 -10.003 14.820 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.353 -10.540 14.438 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.748 -11.127 13.812 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.386 -12.403 12.626 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -7.639 -12.450 14.240 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.508 -8.100 14.367 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.143 -8.750 12.751 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.792 -8.204 13.139 1.00 0.00 H new ATOM 1476 N SER A 94 -5.490 -13.678 10.711 1.00 0.00 N ATOM 1477 CA SER A 94 -5.903 -14.477 9.560 1.00 0.00 C ATOM 1478 C SER A 94 -7.201 -15.224 9.868 1.00 0.00 C ATOM 1479 O SER A 94 -8.275 -14.848 9.397 1.00 0.00 O ATOM 1480 CB SER A 94 -4.801 -15.472 9.179 1.00 0.00 C ATOM 1481 OG SER A 94 -3.612 -15.224 9.907 1.00 0.00 O ATOM 0 H SER A 94 -4.604 -13.963 11.128 1.00 0.00 H new ATOM 0 HA SER A 94 -6.076 -13.806 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.143 -16.489 9.372 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.598 -15.402 8.110 1.00 0.00 H new ATOM 0 HG SER A 94 -3.686 -15.621 10.800 1.00 0.00 H new ATOM 1533 N ILE A 98 -8.628 -12.802 5.889 1.00 0.00 N ATOM 1534 CA ILE A 98 -7.603 -11.768 5.892 1.00 0.00 C ATOM 1535 C ILE A 98 -8.147 -10.441 6.413 1.00 0.00 C ATOM 1536 O ILE A 98 -8.675 -9.631 5.651 1.00 0.00 O ATOM 1537 CB ILE A 98 -7.003 -11.565 4.486 1.00 0.00 C ATOM 1538 CG1 ILE A 98 -6.282 -12.836 4.037 1.00 0.00 C ATOM 1539 CG2 ILE A 98 -6.047 -10.380 4.469 1.00 0.00 C ATOM 1540 CD1 ILE A 98 -5.932 -12.840 2.567 1.00 0.00 C ATOM 0 HA ILE A 98 -6.815 -12.110 6.564 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.816 -11.353 3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.369 -12.952 4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.912 -13.698 4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.637 -10.258 3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.584 -9.475 4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.235 -10.558 5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.423 -13.771 2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.844 -12.755 1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.277 -11.997 2.347 1.00 0.00 H new ATOM 1552 N ARG A 99 -7.990 -10.218 7.713 1.00 0.00 N ATOM 1553 CA ARG A 99 -8.441 -8.981 8.336 1.00 0.00 C ATOM 1554 C ARG A 99 -7.258 -8.026 8.486 1.00 0.00 C ATOM 1555 O ARG A 99 -6.450 -8.167 9.405 1.00 0.00 O ATOM 1556 CB ARG A 99 -9.064 -9.265 9.704 1.00 0.00 C ATOM 1557 CG ARG A 99 -10.243 -8.363 10.035 1.00 0.00 C ATOM 1558 CD ARG A 99 -11.534 -9.155 10.167 1.00 0.00 C ATOM 1559 NE ARG A 99 -11.560 -9.965 11.383 1.00 0.00 N ATOM 1560 CZ ARG A 99 -12.381 -10.994 11.570 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -13.247 -11.342 10.624 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -12.339 -11.679 12.704 1.00 0.00 N ATOM 0 H ARG A 99 -7.553 -10.879 8.356 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.200 -8.521 7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.392 -10.304 9.736 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.300 -9.148 10.473 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.045 -7.831 10.966 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.356 -7.610 9.255 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.381 -8.469 10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.652 -9.802 9.298 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.910 -9.727 12.132 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.284 -10.819 9.749 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.875 -12.132 10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.677 -11.417 13.434 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.969 -12.468 12.847 1.00 0.00 H new ATOM 1576 N PRO A 100 -7.129 -7.049 7.573 1.00 0.00 N ATOM 1577 CA PRO A 100 -6.024 -6.083 7.597 1.00 0.00 C ATOM 1578 C PRO A 100 -6.126 -5.091 8.750 1.00 0.00 C ATOM 1579 O PRO A 100 -5.111 -4.640 9.281 1.00 0.00 O ATOM 1580 CB PRO A 100 -6.166 -5.368 6.251 1.00 0.00 C ATOM 1581 CG PRO A 100 -7.616 -5.462 5.943 1.00 0.00 C ATOM 1582 CD PRO A 100 -8.035 -6.816 6.432 1.00 0.00 C ATOM 0 HA PRO A 100 -5.060 -6.569 7.744 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.838 -4.330 6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.563 -5.847 5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.177 -4.672 6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -7.799 -5.355 4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.081 -6.829 6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.918 -7.578 5.661 1.00 0.00 H new ATOM 1590 N ALA A 101 -7.353 -4.748 9.134 1.00 0.00 N ATOM 1591 CA ALA A 101 -7.570 -3.800 10.227 1.00 0.00 C ATOM 1592 C ALA A 101 -9.061 -3.561 10.452 1.00 0.00 C ATOM 1593 O ALA A 101 -9.890 -4.412 10.128 1.00 0.00 O ATOM 1594 CB ALA A 101 -6.855 -2.487 9.931 1.00 0.00 C ATOM 0 H ALA A 101 -8.207 -5.108 8.709 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.156 -4.226 11.141 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.023 -1.788 10.751 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.786 -2.671 9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.244 -2.061 9.006 1.00 0.00 H new ATOM 1600 N SER A 102 -9.399 -2.401 11.010 1.00 0.00 N ATOM 1601 CA SER A 102 -10.789 -2.059 11.278 1.00 0.00 C ATOM 1602 C SER A 102 -11.216 -0.804 10.515 1.00 0.00 C ATOM 1603 O SER A 102 -12.385 -0.419 10.558 1.00 0.00 O ATOM 1604 CB SER A 102 -11.006 -1.851 12.780 1.00 0.00 C ATOM 1605 OG SER A 102 -9.927 -2.382 13.531 1.00 0.00 O ATOM 0 H SER A 102 -8.728 -1.684 11.284 1.00 0.00 H new ATOM 0 HA SER A 102 -11.404 -2.891 10.935 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.111 -0.787 12.991 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.936 -2.330 13.086 1.00 0.00 H new ATOM 0 HG SER A 102 -10.089 -2.235 14.486 1.00 0.00 H new ATOM 1611 N ALA A 103 -10.274 -0.159 9.824 1.00 0.00 N ATOM 1612 CA ALA A 103 -10.598 1.051 9.075 1.00 0.00 C ATOM 1613 C ALA A 103 -9.474 1.470 8.126 1.00 0.00 C ATOM 1614 O ALA A 103 -8.857 2.519 8.311 1.00 0.00 O ATOM 1615 CB ALA A 103 -10.916 2.183 10.038 1.00 0.00 C ATOM 0 H ALA A 103 -9.298 -0.450 9.769 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.471 0.830 8.461 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.157 3.084 9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.768 1.904 10.658 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.051 2.374 10.674 1.00 0.00 H new ATOM 1621 N VAL A 104 -9.223 0.662 7.098 1.00 0.00 N ATOM 1622 CA VAL A 104 -8.178 0.990 6.118 1.00 0.00 C ATOM 1623 C VAL A 104 -8.760 1.170 4.715 1.00 0.00 C ATOM 1624 O VAL A 104 -9.694 0.473 4.328 1.00 0.00 O ATOM 1625 CB VAL A 104 -7.044 -0.064 6.096 1.00 0.00 C ATOM 1626 CG1 VAL A 104 -6.479 -0.267 7.494 1.00 0.00 C ATOM 1627 CG2 VAL A 104 -7.526 -1.388 5.521 1.00 0.00 C ATOM 0 H VAL A 104 -9.717 -0.212 6.919 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.745 1.938 6.437 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.253 0.313 5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.683 -1.011 7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.078 0.676 7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.270 -0.612 8.160 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.705 -2.105 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.344 -1.773 6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.875 -1.236 4.500 1.00 0.00 H new ATOM 1637 N ASN A 105 -8.212 2.136 3.973 1.00 0.00 N ATOM 1638 CA ASN A 105 -8.683 2.449 2.621 1.00 0.00 C ATOM 1639 C ASN A 105 -8.058 1.549 1.560 1.00 0.00 C ATOM 1640 O ASN A 105 -6.933 1.074 1.714 1.00 0.00 O ATOM 1641 CB ASN A 105 -8.363 3.911 2.279 1.00 0.00 C ATOM 1642 CG ASN A 105 -8.577 4.853 3.448 1.00 0.00 C ATOM 1643 OD1 ASN A 105 -7.925 5.893 3.545 1.00 0.00 O ATOM 1644 ND2 ASN A 105 -9.496 4.497 4.339 1.00 0.00 N ATOM 0 H ASN A 105 -7.436 2.718 4.289 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.760 2.279 2.616 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.327 3.982 1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.988 4.228 1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -9.685 5.095 5.144 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -10.013 3.626 4.219 1.00 0.00 H new ATOM 1651 N VAL A 106 -8.784 1.361 0.457 1.00 0.00 N ATOM 1652 CA VAL A 106 -8.295 0.565 -0.663 1.00 0.00 C ATOM 1653 C VAL A 106 -7.454 1.457 -1.568 1.00 0.00 C ATOM 1654 O VAL A 106 -7.958 2.062 -2.513 1.00 0.00 O ATOM 1655 CB VAL A 106 -9.439 -0.073 -1.497 1.00 0.00 C ATOM 1656 CG1 VAL A 106 -9.325 -1.591 -1.491 1.00 0.00 C ATOM 1657 CG2 VAL A 106 -10.812 0.364 -1.001 1.00 0.00 C ATOM 0 H VAL A 106 -9.716 1.752 0.318 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.704 -0.253 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.333 0.281 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.136 -2.019 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.368 -1.886 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.390 -1.957 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.585 -0.104 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.937 0.061 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -10.898 1.448 -1.076 1.00 0.00 H new ATOM 1667 N ILE A 107 -6.176 1.564 -1.237 1.00 0.00 N ATOM 1668 CA ILE A 107 -5.241 2.412 -1.966 1.00 0.00 C ATOM 1669 C ILE A 107 -4.879 1.873 -3.358 1.00 0.00 C ATOM 1670 O ILE A 107 -3.835 2.228 -3.905 1.00 0.00 O ATOM 1671 CB ILE A 107 -3.955 2.613 -1.133 1.00 0.00 C ATOM 1672 CG1 ILE A 107 -3.332 3.984 -1.439 1.00 0.00 C ATOM 1673 CG2 ILE A 107 -2.966 1.473 -1.363 1.00 0.00 C ATOM 1674 CD1 ILE A 107 -1.863 3.939 -1.800 1.00 0.00 C ATOM 0 H ILE A 107 -5.756 1.064 -0.453 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.747 3.364 -2.124 1.00 0.00 H new ATOM 0 HB ILE A 107 -4.218 2.595 -0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.881 4.443 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.460 4.629 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.071 1.641 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.425 0.528 -1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.695 1.434 -2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.506 4.949 -2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.298 3.512 -0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.725 3.323 -2.689 1.00 0.00 H new ATOM 1686 N GLY A 108 -5.738 1.039 -3.941 1.00 0.00 N ATOM 1687 CA GLY A 108 -5.459 0.509 -5.263 1.00 0.00 C ATOM 1688 C GLY A 108 -5.202 -0.986 -5.260 1.00 0.00 C ATOM 1689 O GLY A 108 -5.748 -1.714 -4.431 1.00 0.00 O ATOM 0 H GLY A 108 -6.614 0.724 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.301 0.726 -5.921 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.590 1.021 -5.678 1.00 0.00 H new ATOM 1693 N ARG A 109 -4.372 -1.444 -6.193 1.00 0.00 N ATOM 1694 CA ARG A 109 -4.047 -2.864 -6.300 1.00 0.00 C ATOM 1695 C ARG A 109 -2.694 -3.068 -6.978 1.00 0.00 C ATOM 1696 O ARG A 109 -2.144 -2.145 -7.579 1.00 0.00 O ATOM 1697 CB ARG A 109 -5.135 -3.605 -7.083 1.00 0.00 C ATOM 1698 CG ARG A 109 -6.554 -3.221 -6.688 1.00 0.00 C ATOM 1699 CD ARG A 109 -7.585 -4.069 -7.417 1.00 0.00 C ATOM 1700 NE ARG A 109 -8.490 -4.747 -6.491 1.00 0.00 N ATOM 1701 CZ ARG A 109 -9.534 -4.160 -5.911 1.00 0.00 C ATOM 1702 NH1 ARG A 109 -9.809 -2.884 -6.156 1.00 0.00 N ATOM 1703 NH2 ARG A 109 -10.307 -4.850 -5.083 1.00 0.00 N ATOM 0 H ARG A 109 -3.912 -0.853 -6.886 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.993 -3.270 -5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -5.000 -3.409 -8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -5.006 -4.678 -6.937 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -6.678 -3.341 -5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -6.723 -2.168 -6.913 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.163 -3.437 -8.091 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -7.075 -4.810 -8.033 1.00 0.00 H new ATOM 0 HE ARG A 109 -8.311 -5.728 -6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -9.219 -2.348 -6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -10.611 -2.440 -5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -10.101 -5.830 -4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.107 -4.400 -4.638 1.00 0.00 H new ATOM 1717 N ILE A 110 -2.167 -4.286 -6.881 1.00 0.00 N ATOM 1718 CA ILE A 110 -0.880 -4.619 -7.488 1.00 0.00 C ATOM 1719 C ILE A 110 -1.082 -5.349 -8.813 1.00 0.00 C ATOM 1720 O ILE A 110 -1.599 -6.466 -8.847 1.00 0.00 O ATOM 1721 CB ILE A 110 -0.027 -5.499 -6.550 1.00 0.00 C ATOM 1722 CG1 ILE A 110 0.257 -4.757 -5.236 1.00 0.00 C ATOM 1723 CG2 ILE A 110 1.280 -5.900 -7.226 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -0.034 -5.573 -3.993 1.00 0.00 C ATOM 0 H ILE A 110 -2.612 -5.060 -6.387 1.00 0.00 H new ATOM 0 HA ILE A 110 -0.354 -3.681 -7.665 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.588 -6.406 -6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.303 -4.452 -5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.341 -3.846 -5.208 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.866 -6.520 -6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.062 -6.462 -8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.847 -5.005 -7.481 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.192 -4.980 -3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.087 -5.856 -3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.583 -6.471 -3.995 1.00 0.00 H new ATOM 1736 N VAL A 111 -0.672 -4.710 -9.903 1.00 0.00 N ATOM 1737 CA VAL A 111 -0.809 -5.302 -11.234 1.00 0.00 C ATOM 1738 C VAL A 111 0.552 -5.689 -11.818 1.00 0.00 C ATOM 1739 O VAL A 111 0.995 -6.827 -11.666 1.00 0.00 O ATOM 1740 CB VAL A 111 -1.547 -4.362 -12.216 1.00 0.00 C ATOM 1741 CG1 VAL A 111 -3.032 -4.694 -12.258 1.00 0.00 C ATOM 1742 CG2 VAL A 111 -1.336 -2.899 -11.845 1.00 0.00 C ATOM 0 H VAL A 111 -0.243 -3.785 -9.894 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.409 -6.203 -11.107 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.127 -4.519 -13.209 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.535 -4.023 -12.954 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.165 -5.725 -12.587 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.460 -4.573 -11.263 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.867 -2.264 -12.554 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.718 -2.720 -10.840 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.272 -2.666 -11.875 1.00 0.00 H new ATOM 1816 N LEU A 117 5.687 -9.312 -2.599 1.00 0.00 N ATOM 1817 CA LEU A 117 6.425 -8.597 -1.561 1.00 0.00 C ATOM 1818 C LEU A 117 6.559 -9.443 -0.298 1.00 0.00 C ATOM 1819 O LEU A 117 7.598 -9.429 0.363 1.00 0.00 O ATOM 1820 CB LEU A 117 5.732 -7.273 -1.223 1.00 0.00 C ATOM 1821 CG LEU A 117 6.363 -6.507 -0.051 1.00 0.00 C ATOM 1822 CD1 LEU A 117 6.888 -5.148 -0.489 1.00 0.00 C ATOM 1823 CD2 LEU A 117 5.373 -6.350 1.094 1.00 0.00 C ATOM 0 HA LEU A 117 7.423 -8.391 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.744 -6.635 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.687 -7.474 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 117 7.210 -7.095 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.327 -4.635 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.646 -5.282 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.067 -4.552 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.845 -5.804 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.499 -5.799 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.065 -7.334 1.446 1.00 0.00 H new ATOM 1835 N LYS A 118 5.496 -10.170 0.038 1.00 0.00 N ATOM 1836 CA LYS A 118 5.482 -11.020 1.234 1.00 0.00 C ATOM 1837 C LYS A 118 6.793 -11.794 1.416 1.00 0.00 C ATOM 1838 O LYS A 118 7.142 -12.170 2.536 1.00 0.00 O ATOM 1839 CB LYS A 118 4.308 -12.007 1.184 1.00 0.00 C ATOM 1840 CG LYS A 118 4.147 -12.722 -0.151 1.00 0.00 C ATOM 1841 CD LYS A 118 5.021 -13.964 -0.234 1.00 0.00 C ATOM 1842 CE LYS A 118 4.387 -15.142 0.487 1.00 0.00 C ATOM 1843 NZ LYS A 118 3.286 -15.754 -0.307 1.00 0.00 N ATOM 0 H LYS A 118 4.630 -10.190 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 118 5.365 -10.353 2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.441 -12.752 1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.387 -11.469 1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 118 3.103 -13.002 -0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.405 -12.041 -0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.188 -14.223 -1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.998 -13.752 0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.148 -15.895 0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 118 3.999 -14.811 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 2.972 -16.632 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 2.489 -15.089 -0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 3.628 -15.970 -1.265 1.00 0.00 H new ATOM 1857 N GLY A 119 7.511 -12.042 0.321 1.00 0.00 N ATOM 1858 CA GLY A 119 8.762 -12.780 0.406 1.00 0.00 C ATOM 1859 C GLY A 119 9.964 -11.902 0.724 1.00 0.00 C ATOM 1860 O GLY A 119 11.086 -12.218 0.329 1.00 0.00 O ATOM 0 H GLY A 119 7.250 -11.746 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.670 -13.548 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.937 -13.293 -0.540 1.00 0.00 H new ATOM 1864 N VAL A 120 9.736 -10.805 1.439 1.00 0.00 N ATOM 1865 CA VAL A 120 10.815 -9.889 1.808 1.00 0.00 C ATOM 1866 C VAL A 120 11.554 -10.367 3.058 1.00 0.00 C ATOM 1867 O VAL A 120 10.987 -11.078 3.887 1.00 0.00 O ATOM 1868 CB VAL A 120 10.293 -8.461 2.065 1.00 0.00 C ATOM 1869 CG1 VAL A 120 9.881 -7.798 0.759 1.00 0.00 C ATOM 1870 CG2 VAL A 120 9.137 -8.473 3.060 1.00 0.00 C ATOM 0 H VAL A 120 8.814 -10.527 1.776 1.00 0.00 H new ATOM 0 HA VAL A 120 11.501 -9.874 0.961 1.00 0.00 H new ATOM 0 HB VAL A 120 11.103 -7.877 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 120 9.516 -6.791 0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.741 -7.744 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.091 -8.383 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 120 8.787 -7.454 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.321 -9.077 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.475 -8.897 4.006 1.00 0.00 H new ATOM 1880 N ALA A 121 12.818 -9.968 3.197 1.00 0.00 N ATOM 1881 CA ALA A 121 13.615 -10.351 4.361 1.00 0.00 C ATOM 1882 C ALA A 121 13.276 -9.450 5.548 1.00 0.00 C ATOM 1883 O ALA A 121 12.916 -8.289 5.368 1.00 0.00 O ATOM 1884 CB ALA A 121 15.104 -10.281 4.043 1.00 0.00 C ATOM 0 H ALA A 121 13.310 -9.383 2.522 1.00 0.00 H new ATOM 0 HA ALA A 121 13.374 -11.381 4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 121 15.678 -10.570 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 121 15.333 -10.960 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 121 15.367 -9.263 3.756 1.00 0.00 H new ATOM 1890 N ASP A 122 13.373 -9.991 6.760 1.00 0.00 N ATOM 1891 CA ASP A 122 13.055 -9.224 7.960 1.00 0.00 C ATOM 1892 C ASP A 122 13.910 -7.965 8.077 1.00 0.00 C ATOM 1893 O ASP A 122 15.118 -8.035 8.306 1.00 0.00 O ATOM 1894 CB ASP A 122 13.216 -10.086 9.214 1.00 0.00 C ATOM 1895 CG ASP A 122 14.663 -10.432 9.508 1.00 0.00 C ATOM 1896 OD1 ASP A 122 15.275 -11.165 8.702 1.00 0.00 O ATOM 1897 OD2 ASP A 122 15.185 -9.969 10.544 1.00 0.00 O ATOM 0 H ASP A 122 13.667 -10.952 6.936 1.00 0.00 H new ATOM 0 HA ASP A 122 12.014 -8.913 7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.793 -9.558 10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.645 -11.006 9.092 1.00 0.00 H new ATOM 1902 N GLY A 123 13.263 -6.811 7.938 1.00 0.00 N ATOM 1903 CA GLY A 123 13.958 -5.543 8.051 1.00 0.00 C ATOM 1904 C GLY A 123 14.794 -5.194 6.833 1.00 0.00 C ATOM 1905 O GLY A 123 15.911 -5.690 6.675 1.00 0.00 O ATOM 0 H GLY A 123 12.264 -6.733 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.227 -4.752 8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.604 -5.570 8.928 1.00 0.00 H new ATOM 1909 N GLU A 124 14.263 -4.319 5.982 1.00 0.00 N ATOM 1910 CA GLU A 124 14.981 -3.881 4.786 1.00 0.00 C ATOM 1911 C GLU A 124 14.492 -2.509 4.331 1.00 0.00 C ATOM 1912 O GLU A 124 13.359 -2.119 4.610 1.00 0.00 O ATOM 1913 CB GLU A 124 14.850 -4.900 3.641 1.00 0.00 C ATOM 1914 CG GLU A 124 13.701 -5.879 3.798 1.00 0.00 C ATOM 1915 CD GLU A 124 13.676 -6.924 2.699 1.00 0.00 C ATOM 1916 OE1 GLU A 124 14.442 -7.904 2.793 1.00 0.00 O ATOM 1917 OE2 GLU A 124 12.887 -6.762 1.744 1.00 0.00 O ATOM 0 H GLU A 124 13.340 -3.900 6.097 1.00 0.00 H new ATOM 0 HA GLU A 124 16.036 -3.807 5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 124 14.724 -4.359 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.781 -5.461 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.780 -6.375 4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.758 -5.332 3.796 1.00 0.00 H new ATOM 1924 N SER A 125 15.363 -1.777 3.643 1.00 0.00 N ATOM 1925 CA SER A 125 15.031 -0.438 3.160 1.00 0.00 C ATOM 1926 C SER A 125 13.790 -0.445 2.271 1.00 0.00 C ATOM 1927 O SER A 125 13.313 -1.499 1.849 1.00 0.00 O ATOM 1928 CB SER A 125 16.215 0.148 2.390 1.00 0.00 C ATOM 1929 OG SER A 125 15.822 1.282 1.635 1.00 0.00 O ATOM 0 H SER A 125 16.305 -2.088 3.407 1.00 0.00 H new ATOM 0 HA SER A 125 14.814 0.181 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 125 17.004 0.428 3.088 1.00 0.00 H new ATOM 0 HB3 SER A 125 16.631 -0.609 1.725 1.00 0.00 H new ATOM 0 HG SER A 125 15.910 1.085 0.679 1.00 0.00 H new ATOM 1935 N VAL A 126 13.285 0.752 1.991 1.00 0.00 N ATOM 1936 CA VAL A 126 12.104 0.932 1.149 1.00 0.00 C ATOM 1937 C VAL A 126 12.085 2.345 0.568 1.00 0.00 C ATOM 1938 O VAL A 126 12.229 3.322 1.303 1.00 0.00 O ATOM 1939 CB VAL A 126 10.797 0.684 1.939 1.00 0.00 C ATOM 1940 CG1 VAL A 126 9.583 0.798 1.031 1.00 0.00 C ATOM 1941 CG2 VAL A 126 10.825 -0.674 2.615 1.00 0.00 C ATOM 0 H VAL A 126 13.681 1.625 2.340 1.00 0.00 H new ATOM 0 HA VAL A 126 12.160 0.200 0.343 1.00 0.00 H new ATOM 0 HB VAL A 126 10.722 1.451 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.677 0.619 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.545 1.797 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 126 9.655 0.059 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.896 -0.826 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 126 10.933 -1.454 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.667 -0.719 3.306 1.00 0.00 H new ATOM 1951 N VAL A 127 11.919 2.456 -0.748 1.00 0.00 N ATOM 1952 CA VAL A 127 11.897 3.764 -1.400 1.00 0.00 C ATOM 1953 C VAL A 127 10.656 3.933 -2.271 1.00 0.00 C ATOM 1954 O VAL A 127 10.535 3.314 -3.327 1.00 0.00 O ATOM 1955 CB VAL A 127 13.161 3.988 -2.260 1.00 0.00 C ATOM 1956 CG1 VAL A 127 14.405 4.047 -1.383 1.00 0.00 C ATOM 1957 CG2 VAL A 127 13.290 2.902 -3.317 1.00 0.00 C ATOM 0 H VAL A 127 11.799 1.664 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 127 11.874 4.509 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 127 13.064 4.946 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 127 15.284 4.205 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 127 14.311 4.869 -0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 127 14.511 3.109 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 127 14.186 3.078 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 127 13.362 1.929 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 127 12.414 2.920 -3.966 1.00 0.00 H new ATOM 1967 N VAL A 128 9.736 4.780 -1.816 1.00 0.00 N ATOM 1968 CA VAL A 128 8.498 5.043 -2.545 1.00 0.00 C ATOM 1969 C VAL A 128 8.726 6.118 -3.616 1.00 0.00 C ATOM 1970 O VAL A 128 9.263 7.184 -3.319 1.00 0.00 O ATOM 1971 CB VAL A 128 7.371 5.529 -1.598 1.00 0.00 C ATOM 1972 CG1 VAL A 128 6.017 4.970 -2.012 1.00 0.00 C ATOM 1973 CG2 VAL A 128 7.666 5.162 -0.149 1.00 0.00 C ATOM 0 H VAL A 128 9.825 5.298 -0.942 1.00 0.00 H new ATOM 0 HA VAL A 128 8.195 4.104 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 128 7.334 6.615 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.250 5.331 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.782 5.298 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.048 3.881 -1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 128 6.856 5.517 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 128 7.751 4.079 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.602 5.627 0.161 1.00 0.00 H new ATOM 1983 N GLU A 129 8.320 5.841 -4.857 1.00 0.00 N ATOM 1984 CA GLU A 129 8.494 6.801 -5.945 1.00 0.00 C ATOM 1985 C GLU A 129 7.435 6.605 -7.030 1.00 0.00 C ATOM 1986 O GLU A 129 7.219 5.490 -7.503 1.00 0.00 O ATOM 1987 CB GLU A 129 9.891 6.653 -6.553 1.00 0.00 C ATOM 1988 CG GLU A 129 10.265 5.216 -6.877 1.00 0.00 C ATOM 1989 CD GLU A 129 11.328 4.664 -5.947 1.00 0.00 C ATOM 1990 OE1 GLU A 129 12.174 5.454 -5.479 1.00 0.00 O ATOM 1991 OE2 GLU A 129 11.313 3.442 -5.689 1.00 0.00 O ATOM 0 H GLU A 129 7.872 4.966 -5.131 1.00 0.00 H new ATOM 0 HA GLU A 129 8.379 7.804 -5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 129 9.946 7.248 -7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.625 7.063 -5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.374 4.591 -6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.623 5.161 -7.905 1.00 0.00 H new ATOM 1998 N ARG A 130 6.779 7.697 -7.424 1.00 0.00 N ATOM 1999 CA ARG A 130 5.748 7.641 -8.458 1.00 0.00 C ATOM 2000 C ARG A 130 6.372 7.468 -9.838 1.00 0.00 C ATOM 2001 O ARG A 130 6.661 8.447 -10.526 1.00 0.00 O ATOM 2002 CB ARG A 130 4.901 8.915 -8.423 1.00 0.00 C ATOM 2003 CG ARG A 130 3.790 8.946 -9.458 1.00 0.00 C ATOM 2004 CD ARG A 130 4.213 9.684 -10.717 1.00 0.00 C ATOM 2005 NE ARG A 130 4.238 8.806 -11.885 1.00 0.00 N ATOM 2006 CZ ARG A 130 4.413 9.235 -13.134 1.00 0.00 C ATOM 2007 NH1 ARG A 130 4.590 10.528 -13.378 1.00 0.00 N ATOM 2008 NH2 ARG A 130 4.414 8.370 -14.139 1.00 0.00 N ATOM 0 H ARG A 130 6.944 8.629 -7.043 1.00 0.00 H new ATOM 0 HA ARG A 130 5.110 6.780 -8.259 1.00 0.00 H new ATOM 0 HB2 ARG A 130 4.462 9.020 -7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.551 9.776 -8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.503 7.926 -9.714 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.910 9.428 -9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 130 3.527 10.511 -10.900 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.202 10.117 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 130 4.114 7.805 -11.735 1.00 0.00 H new ATOM 0 HH11 ARG A 130 4.592 11.197 -12.608 1.00 0.00 H new ATOM 0 HH12 ARG A 130 4.724 10.853 -14.336 1.00 0.00 H new ATOM 0 HH21 ARG A 130 4.281 7.375 -13.956 1.00 0.00 H new ATOM 0 HH22 ARG A 130 4.548 8.699 -15.095 1.00 0.00 H new ATOM 2022 N ALA A 131 6.573 6.215 -10.238 1.00 0.00 N ATOM 2023 CA ALA A 131 7.162 5.902 -11.540 1.00 0.00 C ATOM 2024 C ALA A 131 8.352 6.806 -11.853 1.00 0.00 C ATOM 2025 O ALA A 131 9.482 6.454 -11.455 1.00 0.00 O ATOM 2026 CB ALA A 131 6.107 6.016 -12.628 1.00 0.00 C ATOM 2027 OXT ALA A 131 8.143 7.858 -12.494 1.00 0.00 O ATOM 0 H ALA A 131 6.336 5.396 -9.678 1.00 0.00 H new ATOM 0 HA ALA A 131 7.531 4.877 -11.504 1.00 0.00 H new ATOM 0 HB1 ALA A 131 6.554 5.781 -13.594 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.296 5.316 -12.424 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.713 7.032 -12.648 1.00 0.00 H new