USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 505 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 41 THR OG1 : rot 160:sc= -0.562! USER MOD Set 1.2: A 50 LYS NZ :NH3+ 169:sc= 1.22 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= -0.135 (180deg=-0.517) USER MOD Single : A 12 GLN : amide:sc= -0.626 K(o=-0.63,f=-3.5!) USER MOD Single : A 25 ASN : amide:sc= -9.47! C(o=-9.5!,f=-19!) USER MOD Single : A 26 SER OG : rot 1:sc= 0.331 USER MOD Single : A 31 MET CE :methyl 162:sc= -4.8! (180deg=-5.19!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 170:sc= -1.05 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= -0.0438 (180deg=-0.293) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 101:sc= -0.18 USER MOD Single : A 77 ASN : amide:sc= -2.29 K(o=-2.3,f=-4.8!) USER MOD Single : A 78 LYS NZ :NH3+ 134:sc= 0.436 (180deg=-0.0883) USER MOD ----------------------------------------------------------------- ATOM 102 N VAL A 5 -11.257 1.437 -8.209 1.00 0.00 N ATOM 103 CA VAL A 5 -9.812 1.288 -8.328 1.00 0.00 C ATOM 104 C VAL A 5 -9.223 0.681 -7.065 1.00 0.00 C ATOM 105 O VAL A 5 -8.044 0.395 -7.020 1.00 0.00 O ATOM 106 CB VAL A 5 -9.091 2.622 -8.617 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.884 3.415 -7.337 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.758 2.416 -9.314 1.00 0.00 C ATOM 0 HA VAL A 5 -9.652 0.624 -9.177 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.737 3.186 -9.290 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.374 4.351 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.851 3.631 -6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.278 2.833 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.289 3.383 -9.496 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.107 1.810 -8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.919 1.907 -10.264 1.00 0.00 H new ATOM 118 N LYS A 6 -10.031 0.499 -6.022 1.00 0.00 N ATOM 119 CA LYS A 6 -9.510 -0.060 -4.781 1.00 0.00 C ATOM 120 C LYS A 6 -8.632 -1.256 -5.118 1.00 0.00 C ATOM 121 O LYS A 6 -7.506 -1.364 -4.643 1.00 0.00 O ATOM 122 CB LYS A 6 -10.667 -0.472 -3.861 1.00 0.00 C ATOM 123 CG LYS A 6 -10.247 -0.955 -2.476 1.00 0.00 C ATOM 124 CD LYS A 6 -9.529 -2.294 -2.521 1.00 0.00 C ATOM 125 CE LYS A 6 -9.455 -2.927 -1.141 1.00 0.00 C ATOM 126 NZ LYS A 6 -10.804 -3.267 -0.609 1.00 0.00 N ATOM 0 H LYS A 6 -11.026 0.725 -6.011 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.916 0.686 -4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.340 0.378 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.235 -1.264 -4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.595 -0.212 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.129 -1.040 -1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.049 -2.965 -3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.522 -2.156 -2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.846 -3.830 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.957 -2.242 -0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.716 -4.015 0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.230 -2.422 -0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.409 -3.601 -1.386 1.00 0.00 H new ATOM 140 N GLU A 7 -9.134 -2.118 -5.989 1.00 0.00 N ATOM 141 CA GLU A 7 -8.370 -3.270 -6.436 1.00 0.00 C ATOM 142 C GLU A 7 -7.324 -2.862 -7.480 1.00 0.00 C ATOM 143 O GLU A 7 -6.271 -3.484 -7.583 1.00 0.00 O ATOM 144 CB GLU A 7 -9.289 -4.349 -7.015 1.00 0.00 C ATOM 145 CG GLU A 7 -10.350 -4.851 -6.046 1.00 0.00 C ATOM 146 CD GLU A 7 -11.432 -3.824 -5.774 1.00 0.00 C ATOM 147 OE1 GLU A 7 -12.080 -3.372 -6.741 1.00 0.00 O ATOM 148 OE2 GLU A 7 -11.626 -3.466 -4.594 1.00 0.00 O ATOM 0 H GLU A 7 -10.065 -2.041 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.856 -3.680 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.782 -3.952 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.680 -5.193 -7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.807 -5.754 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.874 -5.128 -5.105 1.00 0.00 H new ATOM 155 N ASP A 8 -7.637 -1.834 -8.277 1.00 0.00 N ATOM 156 CA ASP A 8 -6.730 -1.371 -9.333 1.00 0.00 C ATOM 157 C ASP A 8 -5.425 -0.784 -8.776 1.00 0.00 C ATOM 158 O ASP A 8 -4.333 -1.209 -9.157 1.00 0.00 O ATOM 159 CB ASP A 8 -7.440 -0.363 -10.226 1.00 0.00 C ATOM 160 CG ASP A 8 -8.344 -1.027 -11.247 1.00 0.00 C ATOM 161 OD1 ASP A 8 -8.413 -2.274 -11.254 1.00 0.00 O ATOM 162 OD2 ASP A 8 -8.982 -0.301 -12.038 1.00 0.00 O ATOM 0 H ASP A 8 -8.509 -1.308 -8.211 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.450 -2.242 -9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.031 0.313 -9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.698 0.245 -10.743 1.00 0.00 H new ATOM 167 N ILE A 9 -5.542 0.163 -7.852 1.00 0.00 N ATOM 168 CA ILE A 9 -4.384 0.773 -7.219 1.00 0.00 C ATOM 169 C ILE A 9 -3.695 -0.258 -6.339 1.00 0.00 C ATOM 170 O ILE A 9 -2.478 -0.428 -6.395 1.00 0.00 O ATOM 171 CB ILE A 9 -4.787 2.016 -6.384 1.00 0.00 C ATOM 172 CG1 ILE A 9 -5.065 3.203 -7.306 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.710 2.374 -5.367 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.517 4.446 -6.572 1.00 0.00 C ATOM 0 H ILE A 9 -6.437 0.526 -7.524 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.697 1.110 -7.995 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.696 1.773 -5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.162 3.433 -7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.830 2.920 -8.029 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.023 3.249 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.558 1.535 -4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.777 2.594 -5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.696 5.247 -7.289 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.438 4.233 -6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.744 4.755 -5.868 1.00 0.00 H new ATOM 186 N ARG A 10 -4.498 -0.972 -5.554 1.00 0.00 N ATOM 187 CA ARG A 10 -3.982 -2.023 -4.687 1.00 0.00 C ATOM 188 C ARG A 10 -3.232 -3.032 -5.537 1.00 0.00 C ATOM 189 O ARG A 10 -2.265 -3.649 -5.089 1.00 0.00 O ATOM 190 CB ARG A 10 -5.138 -2.707 -3.944 1.00 0.00 C ATOM 191 CG ARG A 10 -4.728 -3.412 -2.662 1.00 0.00 C ATOM 192 CD ARG A 10 -4.516 -4.907 -2.857 1.00 0.00 C ATOM 193 NE ARG A 10 -5.750 -5.607 -3.222 1.00 0.00 N ATOM 194 CZ ARG A 10 -6.153 -5.824 -4.475 1.00 0.00 C ATOM 195 NH1 ARG A 10 -5.384 -5.485 -5.502 1.00 0.00 N ATOM 196 NH2 ARG A 10 -7.321 -6.411 -4.699 1.00 0.00 N ATOM 0 H ARG A 10 -5.508 -0.840 -5.502 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.306 -1.594 -3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.895 -1.959 -3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.604 -3.433 -4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.809 -2.965 -2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.495 -3.254 -1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.769 -5.066 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.117 -5.337 -1.938 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.342 -5.952 -2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.474 -5.054 -5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.703 -5.656 -6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.908 -6.695 -3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.632 -6.579 -5.656 1.00 0.00 H new ATOM 210 N GLY A 11 -3.670 -3.167 -6.786 1.00 0.00 N ATOM 211 CA GLY A 11 -3.010 -4.074 -7.699 1.00 0.00 C ATOM 212 C GLY A 11 -1.605 -3.598 -7.956 1.00 0.00 C ATOM 213 O GLY A 11 -0.647 -4.374 -7.931 1.00 0.00 O ATOM 0 H GLY A 11 -4.467 -2.665 -7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.993 -5.080 -7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.563 -4.129 -8.636 1.00 0.00 H new ATOM 217 N GLN A 12 -1.491 -2.293 -8.164 1.00 0.00 N ATOM 218 CA GLN A 12 -0.206 -1.661 -8.383 1.00 0.00 C ATOM 219 C GLN A 12 0.656 -1.805 -7.134 1.00 0.00 C ATOM 220 O GLN A 12 1.879 -1.872 -7.217 1.00 0.00 O ATOM 221 CB GLN A 12 -0.396 -0.180 -8.714 1.00 0.00 C ATOM 222 CG GLN A 12 -1.243 0.066 -9.951 1.00 0.00 C ATOM 223 CD GLN A 12 -1.437 1.543 -10.237 1.00 0.00 C ATOM 224 OE1 GLN A 12 -1.987 2.279 -9.418 1.00 0.00 O ATOM 225 NE2 GLN A 12 -0.981 1.984 -11.404 1.00 0.00 N ATOM 0 H GLN A 12 -2.283 -1.651 -8.185 1.00 0.00 H new ATOM 0 HA GLN A 12 0.290 -2.148 -9.222 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.860 0.317 -7.862 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.582 0.280 -8.857 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.771 -0.408 -10.811 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.217 -0.407 -9.821 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.531 1.338 -12.053 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.080 2.969 -11.651 1.00 0.00 H new ATOM 234 N ILE A 13 -0.004 -1.854 -5.975 1.00 0.00 N ATOM 235 CA ILE A 13 0.684 -1.992 -4.696 1.00 0.00 C ATOM 236 C ILE A 13 1.279 -3.388 -4.548 1.00 0.00 C ATOM 237 O ILE A 13 2.410 -3.542 -4.095 1.00 0.00 O ATOM 238 CB ILE A 13 -0.263 -1.709 -3.511 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.830 -0.292 -3.613 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.463 -1.898 -2.183 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.783 0.062 -2.491 1.00 0.00 C ATOM 0 H ILE A 13 -1.020 -1.800 -5.899 1.00 0.00 H new ATOM 0 HA ILE A 13 1.487 -1.255 -4.682 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.088 -2.420 -3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.005 0.421 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.348 -0.185 -4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.223 -1.693 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.823 -2.924 -2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.308 -1.212 -2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.145 1.081 -2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.627 -0.627 -2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.264 -0.012 -1.536 1.00 0.00 H new ATOM 253 N ILE A 14 0.514 -4.401 -4.941 1.00 0.00 N ATOM 254 CA ILE A 14 0.980 -5.780 -4.861 1.00 0.00 C ATOM 255 C ILE A 14 2.277 -5.950 -5.647 1.00 0.00 C ATOM 256 O ILE A 14 3.278 -6.429 -5.115 1.00 0.00 O ATOM 257 CB ILE A 14 -0.096 -6.762 -5.380 1.00 0.00 C ATOM 258 CG1 ILE A 14 -1.175 -6.970 -4.316 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.520 -8.099 -5.778 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.650 -7.604 -3.047 1.00 0.00 C ATOM 0 H ILE A 14 -0.428 -4.293 -5.317 1.00 0.00 H new ATOM 0 HA ILE A 14 1.172 -6.011 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.551 -6.326 -6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.626 -6.008 -4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.965 -7.598 -4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.262 -8.767 -6.138 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.254 -7.941 -6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.009 -8.546 -4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.467 -7.723 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.224 -8.581 -3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.120 -6.966 -2.613 1.00 0.00 H new ATOM 272 N GLY A 15 2.262 -5.532 -6.908 1.00 0.00 N ATOM 273 CA GLY A 15 3.454 -5.626 -7.729 1.00 0.00 C ATOM 274 C GLY A 15 4.528 -4.673 -7.246 1.00 0.00 C ATOM 275 O GLY A 15 5.716 -4.996 -7.255 1.00 0.00 O ATOM 0 H GLY A 15 1.448 -5.131 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.834 -6.647 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.204 -5.401 -8.766 1.00 0.00 H new ATOM 279 N ALA A 16 4.092 -3.496 -6.814 1.00 0.00 N ATOM 280 CA ALA A 16 4.990 -2.467 -6.306 1.00 0.00 C ATOM 281 C ALA A 16 5.752 -2.960 -5.078 1.00 0.00 C ATOM 282 O ALA A 16 6.860 -2.510 -4.799 1.00 0.00 O ATOM 283 CB ALA A 16 4.195 -1.208 -5.971 1.00 0.00 C ATOM 0 H ALA A 16 3.108 -3.229 -6.806 1.00 0.00 H new ATOM 0 HA ALA A 16 5.721 -2.233 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.871 -0.441 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.698 -0.842 -6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.448 -1.441 -5.212 1.00 0.00 H new ATOM 289 N LEU A 17 5.141 -3.885 -4.348 1.00 0.00 N ATOM 290 CA LEU A 17 5.736 -4.447 -3.148 1.00 0.00 C ATOM 291 C LEU A 17 6.652 -5.613 -3.490 1.00 0.00 C ATOM 292 O LEU A 17 7.623 -5.883 -2.784 1.00 0.00 O ATOM 293 CB LEU A 17 4.631 -4.908 -2.197 1.00 0.00 C ATOM 294 CG LEU A 17 3.864 -3.780 -1.497 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.566 -4.302 -0.899 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.727 -3.143 -0.414 1.00 0.00 C ATOM 0 H LEU A 17 4.221 -4.264 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 17 6.336 -3.677 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.921 -5.516 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.072 -5.553 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 17 3.619 -3.021 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.038 -3.485 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.940 -4.714 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.789 -5.081 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.168 -2.344 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.000 -3.897 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.631 -2.731 -0.864 1.00 0.00 H new ATOM 308 N ALA A 18 6.332 -6.300 -4.578 1.00 0.00 N ATOM 309 CA ALA A 18 7.126 -7.443 -5.017 1.00 0.00 C ATOM 310 C ALA A 18 8.588 -7.053 -5.214 1.00 0.00 C ATOM 311 O ALA A 18 8.893 -6.075 -5.895 1.00 0.00 O ATOM 312 CB ALA A 18 6.555 -8.017 -6.305 1.00 0.00 C ATOM 0 H ALA A 18 5.531 -6.088 -5.173 1.00 0.00 H new ATOM 0 HA ALA A 18 7.081 -8.205 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.157 -8.869 -6.622 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.528 -8.341 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.571 -7.253 -7.082 1.00 0.00 H new ATOM 318 N GLY A 19 9.489 -7.825 -4.612 1.00 0.00 N ATOM 319 CA GLY A 19 10.907 -7.540 -4.737 1.00 0.00 C ATOM 320 C GLY A 19 11.574 -7.271 -3.400 1.00 0.00 C ATOM 321 O GLY A 19 12.738 -7.615 -3.201 1.00 0.00 O ATOM 0 H GLY A 19 9.263 -8.640 -4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.401 -8.383 -5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.043 -6.675 -5.386 1.00 0.00 H new ATOM 325 N ALA A 20 10.838 -6.644 -2.484 1.00 0.00 N ATOM 326 CA ALA A 20 11.371 -6.317 -1.161 1.00 0.00 C ATOM 327 C ALA A 20 11.983 -7.535 -0.487 1.00 0.00 C ATOM 328 O ALA A 20 11.994 -8.630 -1.051 1.00 0.00 O ATOM 329 CB ALA A 20 10.267 -5.751 -0.281 1.00 0.00 C ATOM 0 H ALA A 20 9.872 -6.352 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 20 12.156 -5.573 -1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.672 -5.510 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.864 -4.847 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.472 -6.489 -0.175 1.00 0.00 H new ATOM 335 N ASP A 21 12.458 -7.339 0.741 1.00 0.00 N ATOM 336 CA ASP A 21 13.030 -8.425 1.528 1.00 0.00 C ATOM 337 C ASP A 21 11.939 -9.473 1.739 1.00 0.00 C ATOM 338 O ASP A 21 11.382 -9.968 0.759 1.00 0.00 O ATOM 339 CB ASP A 21 13.566 -7.867 2.848 1.00 0.00 C ATOM 340 CG ASP A 21 14.949 -7.266 2.694 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.119 -6.379 1.831 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.862 -7.683 3.435 1.00 0.00 O ATOM 0 H ASP A 21 12.457 -6.434 1.212 1.00 0.00 H new ATOM 0 HA ASP A 21 13.870 -8.895 1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.881 -7.107 3.225 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.598 -8.664 3.591 1.00 0.00 H new ATOM 347 N PHE A 22 11.562 -9.779 2.983 1.00 0.00 N ATOM 348 CA PHE A 22 10.464 -10.714 3.176 1.00 0.00 C ATOM 349 C PHE A 22 9.269 -10.101 2.467 1.00 0.00 C ATOM 350 O PHE A 22 9.364 -8.971 1.989 1.00 0.00 O ATOM 351 CB PHE A 22 10.168 -10.965 4.674 1.00 0.00 C ATOM 352 CG PHE A 22 9.362 -9.889 5.372 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.084 -9.531 4.936 1.00 0.00 C ATOM 354 CD2 PHE A 22 9.885 -9.239 6.474 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.361 -8.547 5.581 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.165 -8.258 7.122 1.00 0.00 C ATOM 357 CZ PHE A 22 7.909 -7.911 6.673 1.00 0.00 C ATOM 0 H PHE A 22 11.983 -9.409 3.835 1.00 0.00 H new ATOM 0 HA PHE A 22 10.712 -11.694 2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.634 -11.911 4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.116 -11.081 5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.655 -10.032 4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.869 -9.503 6.832 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.375 -8.279 5.232 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.586 -7.760 7.983 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.352 -7.137 7.180 1.00 0.00 H new ATOM 367 N PRO A 23 8.134 -10.784 2.374 1.00 0.00 N ATOM 368 CA PRO A 23 6.976 -10.207 1.708 1.00 0.00 C ATOM 369 C PRO A 23 6.458 -8.951 2.424 1.00 0.00 C ATOM 370 O PRO A 23 5.348 -8.963 2.954 1.00 0.00 O ATOM 371 CB PRO A 23 5.944 -11.334 1.739 1.00 0.00 C ATOM 372 CG PRO A 23 6.357 -12.192 2.881 1.00 0.00 C ATOM 373 CD PRO A 23 7.860 -12.134 2.901 1.00 0.00 C ATOM 0 HA PRO A 23 7.208 -9.869 0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.936 -10.944 1.881 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.941 -11.894 0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.937 -11.827 3.818 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.005 -13.215 2.751 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.258 -12.265 3.907 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.304 -12.911 2.279 1.00 0.00 H new ATOM 381 N ILE A 24 7.273 -7.866 2.406 1.00 0.00 N ATOM 382 CA ILE A 24 6.923 -6.558 3.007 1.00 0.00 C ATOM 383 C ILE A 24 7.708 -6.189 4.277 1.00 0.00 C ATOM 384 O ILE A 24 7.115 -5.955 5.330 1.00 0.00 O ATOM 385 CB ILE A 24 5.414 -6.441 3.296 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.626 -6.608 1.999 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.090 -5.106 3.950 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.163 -5.766 0.875 1.00 0.00 C ATOM 0 H ILE A 24 8.196 -7.876 1.971 1.00 0.00 H new ATOM 0 HA ILE A 24 7.217 -5.842 2.240 1.00 0.00 H new ATOM 0 HB ILE A 24 5.128 -7.232 3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.644 -7.656 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.583 -6.345 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.019 -5.046 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.635 -5.020 4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.384 -4.294 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.562 -5.928 -0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.120 -4.714 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.197 -6.045 0.673 1.00 0.00 H new ATOM 400 N ASN A 25 9.027 -6.088 4.164 1.00 0.00 N ATOM 401 CA ASN A 25 9.879 -5.697 5.300 1.00 0.00 C ATOM 402 C ASN A 25 9.564 -4.291 5.788 1.00 0.00 C ATOM 403 O ASN A 25 10.394 -3.390 5.664 1.00 0.00 O ATOM 404 CB ASN A 25 11.343 -5.745 4.895 1.00 0.00 C ATOM 405 CG ASN A 25 11.991 -7.069 5.215 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.562 -8.117 4.743 1.00 0.00 O ATOM 407 ND2 ASN A 25 13.040 -7.021 6.029 1.00 0.00 N ATOM 0 H ASN A 25 9.538 -6.270 3.300 1.00 0.00 H new ATOM 0 HA ASN A 25 9.679 -6.402 6.106 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.427 -5.553 3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.883 -4.948 5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.525 -7.880 6.286 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.360 -6.125 6.396 1.00 0.00 H new ATOM 414 N SER A 26 8.371 -4.089 6.327 1.00 0.00 N ATOM 415 CA SER A 26 7.982 -2.770 6.800 1.00 0.00 C ATOM 416 C SER A 26 8.103 -1.776 5.653 1.00 0.00 C ATOM 417 O SER A 26 8.832 -2.013 4.691 1.00 0.00 O ATOM 418 CB SER A 26 8.849 -2.324 7.981 1.00 0.00 C ATOM 419 OG SER A 26 10.178 -2.049 7.574 1.00 0.00 O ATOM 0 H SER A 26 7.663 -4.813 6.447 1.00 0.00 H new ATOM 0 HA SER A 26 6.950 -2.812 7.148 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.415 -1.434 8.437 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.855 -3.102 8.744 1.00 0.00 H new ATOM 0 HG SER A 26 10.259 -2.185 6.607 1.00 0.00 H new ATOM 425 N PRO A 27 7.381 -0.663 5.708 1.00 0.00 N ATOM 426 CA PRO A 27 7.425 0.318 4.639 1.00 0.00 C ATOM 427 C PRO A 27 8.837 0.700 4.238 1.00 0.00 C ATOM 428 O PRO A 27 9.097 0.949 3.072 1.00 0.00 O ATOM 429 CB PRO A 27 6.667 1.515 5.208 1.00 0.00 C ATOM 430 CG PRO A 27 5.756 0.936 6.237 1.00 0.00 C ATOM 431 CD PRO A 27 6.452 -0.284 6.783 1.00 0.00 C ATOM 0 HA PRO A 27 6.986 -0.073 3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.349 2.242 5.648 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.106 2.034 4.431 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.557 1.657 7.030 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.794 0.671 5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.981 -0.063 7.710 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.745 -1.084 7.003 1.00 0.00 H new ATOM 439 N GLU A 28 9.751 0.736 5.190 1.00 0.00 N ATOM 440 CA GLU A 28 11.129 1.086 4.877 1.00 0.00 C ATOM 441 C GLU A 28 11.657 0.224 3.729 1.00 0.00 C ATOM 442 O GLU A 28 12.103 0.733 2.697 1.00 0.00 O ATOM 443 CB GLU A 28 12.011 0.898 6.112 1.00 0.00 C ATOM 444 CG GLU A 28 11.512 1.657 7.331 1.00 0.00 C ATOM 445 CD GLU A 28 12.458 1.549 8.511 1.00 0.00 C ATOM 446 OE1 GLU A 28 12.727 0.415 8.955 1.00 0.00 O ATOM 447 OE2 GLU A 28 12.931 2.601 8.990 1.00 0.00 O ATOM 0 H GLU A 28 9.571 0.531 6.173 1.00 0.00 H new ATOM 0 HA GLU A 28 11.157 2.132 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.066 -0.164 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.024 1.225 5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.379 2.707 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.533 1.273 7.618 1.00 0.00 H new ATOM 454 N GLU A 29 11.607 -1.085 3.923 1.00 0.00 N ATOM 455 CA GLU A 29 12.087 -2.027 2.930 1.00 0.00 C ATOM 456 C GLU A 29 11.138 -2.193 1.760 1.00 0.00 C ATOM 457 O GLU A 29 11.527 -2.006 0.611 1.00 0.00 O ATOM 458 CB GLU A 29 12.239 -3.364 3.571 1.00 0.00 C ATOM 459 CG GLU A 29 12.970 -4.354 2.684 1.00 0.00 C ATOM 460 CD GLU A 29 14.341 -3.855 2.271 1.00 0.00 C ATOM 461 OE1 GLU A 29 15.178 -3.610 3.165 1.00 0.00 O ATOM 462 OE2 GLU A 29 14.578 -3.708 1.054 1.00 0.00 O ATOM 0 H GLU A 29 11.235 -1.519 4.768 1.00 0.00 H new ATOM 0 HA GLU A 29 13.030 -1.633 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.781 -3.253 4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.253 -3.760 3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.075 -5.302 3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.373 -4.549 1.793 1.00 0.00 H new ATOM 469 N LEU A 30 9.896 -2.584 2.046 1.00 0.00 N ATOM 470 CA LEU A 30 8.923 -2.800 0.984 1.00 0.00 C ATOM 471 C LEU A 30 8.911 -1.587 0.061 1.00 0.00 C ATOM 472 O LEU A 30 8.903 -1.729 -1.163 1.00 0.00 O ATOM 473 CB LEU A 30 7.535 -3.059 1.579 1.00 0.00 C ATOM 474 CG LEU A 30 6.863 -1.839 2.201 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.132 -1.029 1.142 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.910 -2.251 3.308 1.00 0.00 C ATOM 0 H LEU A 30 9.547 -2.754 2.989 1.00 0.00 H new ATOM 0 HA LEU A 30 9.202 -3.679 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.888 -3.452 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.621 -3.835 2.340 1.00 0.00 H new ATOM 0 HG LEU A 30 7.641 -1.212 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.660 -0.164 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.842 -0.693 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.369 -1.649 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.444 -1.363 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.139 -2.905 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.462 -2.781 4.085 1.00 0.00 H new ATOM 488 N MET A 31 8.983 -0.393 0.650 1.00 0.00 N ATOM 489 CA MET A 31 9.051 0.825 -0.143 1.00 0.00 C ATOM 490 C MET A 31 10.359 0.840 -0.911 1.00 0.00 C ATOM 491 O MET A 31 10.423 1.331 -2.038 1.00 0.00 O ATOM 492 CB MET A 31 8.954 2.090 0.718 1.00 0.00 C ATOM 493 CG MET A 31 7.557 2.373 1.235 1.00 0.00 C ATOM 494 SD MET A 31 7.425 3.970 2.062 1.00 0.00 S ATOM 495 CE MET A 31 8.646 3.798 3.358 1.00 0.00 C ATOM 0 H MET A 31 8.995 -0.248 1.660 1.00 0.00 H new ATOM 0 HA MET A 31 8.199 0.827 -0.823 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.632 1.994 1.566 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.294 2.944 0.132 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.854 2.341 0.403 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.265 1.585 1.929 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.909 4.783 3.743 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.237 3.191 4.165 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.537 3.315 2.957 1.00 0.00 H new ATOM 505 N ALA A 32 11.409 0.283 -0.301 1.00 0.00 N ATOM 506 CA ALA A 32 12.706 0.237 -0.958 1.00 0.00 C ATOM 507 C ALA A 32 12.656 -0.672 -2.181 1.00 0.00 C ATOM 508 O ALA A 32 13.409 -0.490 -3.137 1.00 0.00 O ATOM 509 CB ALA A 32 13.775 -0.227 0.014 1.00 0.00 C ATOM 0 H ALA A 32 11.383 -0.134 0.630 1.00 0.00 H new ATOM 0 HA ALA A 32 12.960 1.243 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.740 -0.256 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.827 0.465 0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.527 -1.224 0.379 1.00 0.00 H new ATOM 515 N ALA A 33 11.768 -1.660 -2.131 1.00 0.00 N ATOM 516 CA ALA A 33 11.615 -2.617 -3.215 1.00 0.00 C ATOM 517 C ALA A 33 10.940 -2.012 -4.440 1.00 0.00 C ATOM 518 O ALA A 33 11.322 -2.309 -5.572 1.00 0.00 O ATOM 519 CB ALA A 33 10.817 -3.809 -2.731 1.00 0.00 C ATOM 0 H ALA A 33 11.140 -1.817 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 33 12.615 -2.927 -3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.703 -4.525 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.339 -4.283 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.833 -3.478 -2.399 1.00 0.00 H new ATOM 525 N LEU A 34 9.916 -1.188 -4.212 1.00 0.00 N ATOM 526 CA LEU A 34 9.166 -0.568 -5.310 1.00 0.00 C ATOM 527 C LEU A 34 10.062 -0.225 -6.507 1.00 0.00 C ATOM 528 O LEU A 34 11.236 0.111 -6.348 1.00 0.00 O ATOM 529 CB LEU A 34 8.392 0.664 -4.826 1.00 0.00 C ATOM 530 CG LEU A 34 7.066 0.339 -4.123 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.319 -0.357 -2.801 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.226 1.590 -3.912 1.00 0.00 C ATOM 0 H LEU A 34 9.586 -0.934 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 34 8.444 -1.307 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.024 1.230 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.189 1.310 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 34 6.505 -0.334 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.367 -0.579 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.862 -1.286 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.910 0.292 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.295 1.323 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.778 2.299 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.002 2.045 -4.877 1.00 0.00 H new ATOM 544 N PRO A 35 9.507 -0.351 -7.728 1.00 0.00 N ATOM 545 CA PRO A 35 10.225 -0.107 -8.989 1.00 0.00 C ATOM 546 C PRO A 35 11.026 1.193 -9.017 1.00 0.00 C ATOM 547 O PRO A 35 12.147 1.222 -9.527 1.00 0.00 O ATOM 548 CB PRO A 35 9.102 -0.059 -10.045 1.00 0.00 C ATOM 549 CG PRO A 35 7.816 -0.106 -9.280 1.00 0.00 C ATOM 550 CD PRO A 35 8.130 -0.784 -7.985 1.00 0.00 C ATOM 0 HA PRO A 35 10.973 -0.882 -9.156 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.167 0.850 -10.643 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.178 -0.900 -10.734 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.426 0.898 -9.110 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.053 -0.655 -9.833 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.452 -0.475 -7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.054 -1.868 -8.065 1.00 0.00 H new ATOM 605 N THR A 40 7.241 4.121 -5.289 1.00 0.00 N ATOM 606 CA THR A 40 6.458 4.638 -6.407 1.00 0.00 C ATOM 607 C THR A 40 4.998 4.826 -6.016 1.00 0.00 C ATOM 608 O THR A 40 4.400 3.963 -5.373 1.00 0.00 O ATOM 609 CB THR A 40 6.540 3.713 -7.640 1.00 0.00 C ATOM 610 OG1 THR A 40 5.775 4.266 -8.718 1.00 0.00 O ATOM 611 CG2 THR A 40 6.027 2.317 -7.318 1.00 0.00 C ATOM 0 HA THR A 40 6.888 5.605 -6.668 1.00 0.00 H new ATOM 0 HB THR A 40 7.587 3.636 -7.932 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.833 3.675 -9.497 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.098 1.689 -8.206 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.628 1.884 -6.519 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.987 2.377 -6.998 1.00 0.00 H new ATOM 619 N THR A 41 4.428 5.964 -6.399 1.00 0.00 N ATOM 620 CA THR A 41 3.040 6.262 -6.077 1.00 0.00 C ATOM 621 C THR A 41 2.087 5.572 -7.048 1.00 0.00 C ATOM 622 O THR A 41 2.217 5.711 -8.264 1.00 0.00 O ATOM 623 CB THR A 41 2.761 7.776 -6.111 1.00 0.00 C ATOM 624 OG1 THR A 41 3.808 8.488 -5.441 1.00 0.00 O ATOM 625 CG2 THR A 41 1.429 8.084 -5.445 1.00 0.00 C ATOM 0 H THR A 41 4.905 6.692 -6.931 1.00 0.00 H new ATOM 0 HA THR A 41 2.871 5.888 -5.067 1.00 0.00 H new ATOM 0 HB THR A 41 2.720 8.094 -7.153 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.805 9.424 -5.732 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.246 9.158 -5.477 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.630 7.564 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.455 7.751 -4.407 1.00 0.00 H new ATOM 633 N CYS A 42 1.117 4.841 -6.504 1.00 0.00 N ATOM 634 CA CYS A 42 0.133 4.149 -7.329 1.00 0.00 C ATOM 635 C CYS A 42 -1.127 4.995 -7.474 1.00 0.00 C ATOM 636 O CYS A 42 -2.245 4.491 -7.365 1.00 0.00 O ATOM 637 CB CYS A 42 -0.215 2.789 -6.722 1.00 0.00 C ATOM 638 SG CYS A 42 1.201 1.679 -6.534 1.00 0.00 S ATOM 0 H CYS A 42 0.992 4.713 -5.500 1.00 0.00 H new ATOM 0 HA CYS A 42 0.565 3.989 -8.317 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.672 2.946 -5.745 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.962 2.304 -7.350 1.00 0.00 H new ATOM 0 HG CYS A 42 0.852 0.647 -5.824 1.00 0.00 H new ATOM 644 N LYS A 43 -0.936 6.289 -7.714 1.00 0.00 N ATOM 645 CA LYS A 43 -2.050 7.216 -7.867 1.00 0.00 C ATOM 646 C LYS A 43 -2.719 7.052 -9.228 1.00 0.00 C ATOM 647 O LYS A 43 -2.105 6.565 -10.177 1.00 0.00 O ATOM 648 CB LYS A 43 -1.568 8.657 -7.670 1.00 0.00 C ATOM 649 CG LYS A 43 -0.496 9.102 -8.655 1.00 0.00 C ATOM 650 CD LYS A 43 -1.097 9.554 -9.976 1.00 0.00 C ATOM 651 CE LYS A 43 -0.032 10.089 -10.919 1.00 0.00 C ATOM 652 NZ LYS A 43 -0.610 10.534 -12.217 1.00 0.00 N ATOM 0 H LYS A 43 -0.016 6.720 -7.807 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.793 6.988 -7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.423 9.328 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.179 8.762 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.081 9.918 -8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.198 8.280 -8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.614 8.718 -10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.843 10.327 -9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.484 10.925 -10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.714 9.315 -11.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.150 10.892 -12.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.081 9.731 -12.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.303 11.291 -12.047 1.00 0.00 H new ATOM 712 N GLU A 48 -4.236 9.438 -4.693 1.00 0.00 N ATOM 713 CA GLU A 48 -2.869 8.936 -4.588 1.00 0.00 C ATOM 714 C GLU A 48 -2.709 8.032 -3.370 1.00 0.00 C ATOM 715 O GLU A 48 -3.114 8.385 -2.262 1.00 0.00 O ATOM 716 CB GLU A 48 -1.881 10.101 -4.504 1.00 0.00 C ATOM 717 CG GLU A 48 -2.105 11.177 -5.556 1.00 0.00 C ATOM 718 CD GLU A 48 -1.136 12.335 -5.420 1.00 0.00 C ATOM 719 OE1 GLU A 48 -1.135 12.986 -4.354 1.00 0.00 O ATOM 720 OE2 GLU A 48 -0.381 12.593 -6.380 1.00 0.00 O ATOM 0 HA GLU A 48 -2.657 8.350 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.951 10.554 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.867 9.713 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.003 10.737 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.126 11.551 -5.477 1.00 0.00 H new ATOM 727 N LEU A 49 -2.109 6.863 -3.584 1.00 0.00 N ATOM 728 CA LEU A 49 -1.884 5.900 -2.508 1.00 0.00 C ATOM 729 C LEU A 49 -0.531 5.218 -2.665 1.00 0.00 C ATOM 730 O LEU A 49 -0.123 4.870 -3.773 1.00 0.00 O ATOM 731 CB LEU A 49 -2.990 4.839 -2.480 1.00 0.00 C ATOM 732 CG LEU A 49 -4.349 5.312 -1.957 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.201 5.938 -0.577 1.00 0.00 C ATOM 734 CD2 LEU A 49 -4.999 6.282 -2.933 1.00 0.00 C ATOM 0 H LEU A 49 -1.769 6.559 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.899 6.451 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.124 4.453 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.654 4.006 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.003 4.445 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.177 6.269 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.793 5.201 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.528 6.793 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.963 6.603 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.354 7.150 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.146 5.788 -3.893 1.00 0.00 H new ATOM 746 N LYS A 50 0.158 5.031 -1.546 1.00 0.00 N ATOM 747 CA LYS A 50 1.466 4.390 -1.551 1.00 0.00 C ATOM 748 C LYS A 50 1.997 4.236 -0.136 1.00 0.00 C ATOM 749 O LYS A 50 1.633 4.990 0.761 1.00 0.00 O ATOM 750 CB LYS A 50 2.456 5.190 -2.397 1.00 0.00 C ATOM 751 CG LYS A 50 2.658 6.615 -1.913 1.00 0.00 C ATOM 752 CD LYS A 50 3.713 7.334 -2.736 1.00 0.00 C ATOM 753 CE LYS A 50 3.799 8.808 -2.375 1.00 0.00 C ATOM 754 NZ LYS A 50 4.861 9.508 -3.149 1.00 0.00 N ATOM 0 H LYS A 50 -0.168 5.315 -0.622 1.00 0.00 H new ATOM 0 HA LYS A 50 1.352 3.399 -1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.417 4.676 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.104 5.212 -3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.715 7.158 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.955 6.606 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.683 6.863 -2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.480 7.232 -3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.837 9.285 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.000 8.909 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.767 10.535 -3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.796 9.199 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.763 9.279 -4.159 1.00 0.00 H new ATOM 768 N ALA A 51 2.856 3.246 0.058 1.00 0.00 N ATOM 769 CA ALA A 51 3.435 2.978 1.369 1.00 0.00 C ATOM 770 C ALA A 51 3.964 4.253 2.023 1.00 0.00 C ATOM 771 O ALA A 51 4.025 4.353 3.245 1.00 0.00 O ATOM 772 CB ALA A 51 4.539 1.939 1.253 1.00 0.00 C ATOM 0 H ALA A 51 3.169 2.612 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 51 2.645 2.586 2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.963 1.748 2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.127 1.014 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.319 2.310 0.588 1.00 0.00 H new ATOM 778 N SER A 52 4.350 5.229 1.213 1.00 0.00 N ATOM 779 CA SER A 52 4.866 6.483 1.746 1.00 0.00 C ATOM 780 C SER A 52 3.771 7.262 2.476 1.00 0.00 C ATOM 781 O SER A 52 3.868 7.504 3.679 1.00 0.00 O ATOM 782 CB SER A 52 5.458 7.334 0.622 1.00 0.00 C ATOM 783 OG SER A 52 5.915 8.582 1.114 1.00 0.00 O ATOM 0 H SER A 52 4.317 5.179 0.195 1.00 0.00 H new ATOM 0 HA SER A 52 5.652 6.247 2.463 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.284 6.799 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.706 7.497 -0.150 1.00 0.00 H new ATOM 0 HG SER A 52 6.291 9.107 0.376 1.00 0.00 H new ATOM 789 N ASP A 53 2.730 7.654 1.743 1.00 0.00 N ATOM 790 CA ASP A 53 1.619 8.406 2.325 1.00 0.00 C ATOM 791 C ASP A 53 0.743 7.526 3.214 1.00 0.00 C ATOM 792 O ASP A 53 0.498 7.847 4.376 1.00 0.00 O ATOM 793 CB ASP A 53 0.765 9.026 1.216 1.00 0.00 C ATOM 794 CG ASP A 53 1.524 10.064 0.412 1.00 0.00 C ATOM 795 OD1 ASP A 53 1.990 11.056 1.012 1.00 0.00 O ATOM 796 OD2 ASP A 53 1.650 9.886 -0.818 1.00 0.00 O ATOM 0 H ASP A 53 2.633 7.464 0.746 1.00 0.00 H new ATOM 0 HA ASP A 53 2.046 9.194 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.414 8.239 0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.119 9.487 1.657 1.00 0.00 H new ATOM 801 N ALA A 54 0.266 6.420 2.652 1.00 0.00 N ATOM 802 CA ALA A 54 -0.595 5.492 3.379 1.00 0.00 C ATOM 803 C ALA A 54 0.178 4.712 4.436 1.00 0.00 C ATOM 804 O ALA A 54 -0.285 4.566 5.568 1.00 0.00 O ATOM 805 CB ALA A 54 -1.271 4.537 2.410 1.00 0.00 C ATOM 0 H ALA A 54 0.462 6.143 1.690 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.355 6.080 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.911 3.849 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.875 5.104 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.513 3.971 1.869 1.00 0.00 H new ATOM 811 N GLY A 55 1.352 4.206 4.063 1.00 0.00 N ATOM 812 CA GLY A 55 2.164 3.438 5.002 1.00 0.00 C ATOM 813 C GLY A 55 2.251 4.089 6.370 1.00 0.00 C ATOM 814 O GLY A 55 2.415 3.402 7.378 1.00 0.00 O ATOM 0 H GLY A 55 1.757 4.312 3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.743 2.438 5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.169 3.320 4.596 1.00 0.00 H new ATOM 818 N GLN A 56 2.127 5.416 6.404 1.00 0.00 N ATOM 819 CA GLN A 56 2.173 6.172 7.658 1.00 0.00 C ATOM 820 C GLN A 56 1.385 5.454 8.739 1.00 0.00 C ATOM 821 O GLN A 56 1.739 5.469 9.918 1.00 0.00 O ATOM 822 CB GLN A 56 1.552 7.553 7.451 1.00 0.00 C ATOM 823 CG GLN A 56 1.725 8.485 8.637 1.00 0.00 C ATOM 824 CD GLN A 56 1.147 9.864 8.383 1.00 0.00 C ATOM 825 OE1 GLN A 56 -0.050 10.011 8.138 1.00 0.00 O ATOM 826 NE2 GLN A 56 1.998 10.882 8.438 1.00 0.00 N ATOM 0 H GLN A 56 1.993 5.993 5.574 1.00 0.00 H new ATOM 0 HA GLN A 56 3.215 6.265 7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.999 8.014 6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.488 7.436 7.245 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.243 8.048 9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.786 8.577 8.871 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.982 10.713 8.645 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.667 11.833 8.274 1.00 0.00 H new ATOM 835 N VAL A 57 0.292 4.854 8.306 1.00 0.00 N ATOM 836 CA VAL A 57 -0.619 4.136 9.177 1.00 0.00 C ATOM 837 C VAL A 57 -0.152 2.704 9.450 1.00 0.00 C ATOM 838 O VAL A 57 -0.968 1.815 9.700 1.00 0.00 O ATOM 839 CB VAL A 57 -2.017 4.135 8.540 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.434 5.572 8.241 1.00 0.00 C ATOM 841 CG2 VAL A 57 -2.028 3.297 7.267 1.00 0.00 C ATOM 0 H VAL A 57 0.008 4.852 7.326 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.646 4.644 10.141 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.728 3.691 9.237 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.426 5.576 7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.455 6.145 9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.719 6.022 7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.027 3.310 6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.316 3.711 6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.749 2.271 7.505 1.00 0.00 H new ATOM 851 N LEU A 58 1.160 2.485 9.400 1.00 0.00 N ATOM 852 CA LEU A 58 1.733 1.164 9.640 1.00 0.00 C ATOM 853 C LEU A 58 2.986 1.277 10.508 1.00 0.00 C ATOM 854 O LEU A 58 4.109 1.193 10.012 1.00 0.00 O ATOM 855 CB LEU A 58 2.078 0.487 8.311 1.00 0.00 C ATOM 856 CG LEU A 58 0.960 0.500 7.264 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.408 -0.213 5.998 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.309 -0.135 7.819 1.00 0.00 C ATOM 0 H LEU A 58 1.848 3.209 9.194 1.00 0.00 H new ATOM 0 HA LEU A 58 0.995 0.557 10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.955 0.977 7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.356 -0.548 8.510 1.00 0.00 H new ATOM 0 HG LEU A 58 0.738 1.537 7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.601 -0.194 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.283 0.290 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.661 -1.247 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.089 -0.114 7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.105 -1.168 8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.642 0.422 8.695 1.00 0.00 H new ATOM 870 N THR A 59 2.780 1.480 11.808 1.00 0.00 N ATOM 871 CA THR A 59 3.883 1.623 12.758 1.00 0.00 C ATOM 872 C THR A 59 4.923 0.514 12.608 1.00 0.00 C ATOM 873 O THR A 59 4.748 -0.420 11.825 1.00 0.00 O ATOM 874 CB THR A 59 3.372 1.631 14.210 1.00 0.00 C ATOM 875 OG1 THR A 59 2.685 0.405 14.494 1.00 0.00 O ATOM 876 CG2 THR A 59 2.437 2.807 14.448 1.00 0.00 C ATOM 0 H THR A 59 1.854 1.550 12.230 1.00 0.00 H new ATOM 0 HA THR A 59 4.356 2.578 12.530 1.00 0.00 H new ATOM 0 HB THR A 59 4.231 1.729 14.874 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.364 0.417 15.420 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.089 2.792 15.481 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.969 3.739 14.258 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.582 2.734 13.776 1.00 0.00 H new ATOM 884 N ALA A 60 6.010 0.636 13.368 1.00 0.00 N ATOM 885 CA ALA A 60 7.096 -0.340 13.336 1.00 0.00 C ATOM 886 C ALA A 60 6.595 -1.746 13.649 1.00 0.00 C ATOM 887 O ALA A 60 7.040 -2.721 13.046 1.00 0.00 O ATOM 888 CB ALA A 60 8.191 0.060 14.313 1.00 0.00 C ATOM 0 H ALA A 60 6.162 1.407 14.018 1.00 0.00 H new ATOM 0 HA ALA A 60 7.505 -0.351 12.326 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.995 -0.676 14.280 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.584 1.039 14.039 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.780 0.103 15.322 1.00 0.00 H new ATOM 894 N ASP A 61 5.669 -1.849 14.595 1.00 0.00 N ATOM 895 CA ASP A 61 5.115 -3.144 14.980 1.00 0.00 C ATOM 896 C ASP A 61 4.649 -3.917 13.749 1.00 0.00 C ATOM 897 O ASP A 61 4.637 -5.148 13.740 1.00 0.00 O ATOM 898 CB ASP A 61 3.949 -2.956 15.953 1.00 0.00 C ATOM 899 CG ASP A 61 3.359 -4.275 16.412 1.00 0.00 C ATOM 900 OD1 ASP A 61 4.102 -5.082 17.011 1.00 0.00 O ATOM 901 OD2 ASP A 61 2.153 -4.501 16.175 1.00 0.00 O ATOM 0 H ASP A 61 5.286 -1.055 15.109 1.00 0.00 H new ATOM 0 HA ASP A 61 5.899 -3.718 15.475 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.291 -2.393 16.821 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.172 -2.361 15.473 1.00 0.00 H new ATOM 906 N ASP A 62 4.261 -3.178 12.714 1.00 0.00 N ATOM 907 CA ASP A 62 3.788 -3.776 11.471 1.00 0.00 C ATOM 908 C ASP A 62 4.930 -4.344 10.628 1.00 0.00 C ATOM 909 O ASP A 62 4.695 -4.809 9.513 1.00 0.00 O ATOM 910 CB ASP A 62 3.024 -2.742 10.644 1.00 0.00 C ATOM 911 CG ASP A 62 1.838 -2.165 11.391 1.00 0.00 C ATOM 912 OD1 ASP A 62 0.932 -2.941 11.760 1.00 0.00 O ATOM 913 OD2 ASP A 62 1.814 -0.935 11.608 1.00 0.00 O ATOM 0 H ASP A 62 4.265 -2.158 12.713 1.00 0.00 H new ATOM 0 HA ASP A 62 3.130 -4.600 11.747 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.700 -1.935 10.363 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.678 -3.204 9.720 1.00 0.00 H new ATOM 918 N PHE A 63 6.164 -4.295 11.138 1.00 0.00 N ATOM 919 CA PHE A 63 7.308 -4.804 10.383 1.00 0.00 C ATOM 920 C PHE A 63 6.985 -6.144 9.725 1.00 0.00 C ATOM 921 O PHE A 63 6.814 -6.204 8.512 1.00 0.00 O ATOM 922 CB PHE A 63 8.548 -4.935 11.271 1.00 0.00 C ATOM 923 CG PHE A 63 9.590 -3.885 11.012 1.00 0.00 C ATOM 924 CD1 PHE A 63 9.282 -2.539 11.109 1.00 0.00 C ATOM 925 CD2 PHE A 63 10.882 -4.251 10.673 1.00 0.00 C ATOM 926 CE1 PHE A 63 10.244 -1.576 10.874 1.00 0.00 C ATOM 927 CE2 PHE A 63 11.847 -3.295 10.436 1.00 0.00 C ATOM 928 CZ PHE A 63 11.530 -1.955 10.537 1.00 0.00 C ATOM 0 H PHE A 63 6.393 -3.914 12.056 1.00 0.00 H new ATOM 0 HA PHE A 63 7.525 -4.079 9.598 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.243 -4.881 12.316 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.991 -5.919 11.118 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.278 -2.238 11.371 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.137 -5.298 10.593 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.992 -0.529 10.953 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.850 -3.594 10.171 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.285 -1.205 10.353 1.00 0.00 H new ATOM 938 N PRO A 64 6.864 -7.234 10.506 1.00 0.00 N ATOM 939 CA PRO A 64 6.532 -8.551 9.956 1.00 0.00 C ATOM 940 C PRO A 64 5.107 -8.586 9.429 1.00 0.00 C ATOM 941 O PRO A 64 4.197 -9.097 10.081 1.00 0.00 O ATOM 942 CB PRO A 64 6.704 -9.491 11.145 1.00 0.00 C ATOM 943 CG PRO A 64 6.480 -8.630 12.340 1.00 0.00 C ATOM 944 CD PRO A 64 7.008 -7.270 11.974 1.00 0.00 C ATOM 0 HA PRO A 64 7.160 -8.823 9.108 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.988 -10.312 11.108 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.699 -9.936 11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.421 -8.582 12.594 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.999 -9.029 13.211 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.438 -6.475 12.454 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.047 -7.146 12.279 1.00 0.00 H new ATOM 952 N PHE A 65 4.924 -8.011 8.249 1.00 0.00 N ATOM 953 CA PHE A 65 3.618 -7.934 7.618 1.00 0.00 C ATOM 954 C PHE A 65 3.204 -9.260 6.991 1.00 0.00 C ATOM 955 O PHE A 65 4.030 -9.994 6.450 1.00 0.00 O ATOM 956 CB PHE A 65 3.625 -6.851 6.543 1.00 0.00 C ATOM 957 CG PHE A 65 2.725 -5.696 6.850 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.368 -5.899 6.934 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.224 -4.418 7.038 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.507 -4.860 7.200 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.369 -3.364 7.305 1.00 0.00 C ATOM 962 CZ PHE A 65 1.006 -3.585 7.385 1.00 0.00 C ATOM 0 H PHE A 65 5.675 -7.587 7.705 1.00 0.00 H new ATOM 0 HA PHE A 65 2.896 -7.690 8.397 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.643 -6.484 6.416 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.325 -7.292 5.593 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.971 -6.893 6.788 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.288 -4.243 6.976 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.556 -5.040 7.264 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.765 -2.370 7.451 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.335 -2.764 7.591 1.00 0.00 H new ATOM 972 N LYS A 66 1.908 -9.542 7.060 1.00 0.00 N ATOM 973 CA LYS A 66 1.350 -10.762 6.495 1.00 0.00 C ATOM 974 C LYS A 66 1.376 -10.723 4.965 1.00 0.00 C ATOM 975 O LYS A 66 0.334 -10.732 4.296 1.00 0.00 O ATOM 976 CB LYS A 66 -0.074 -10.973 6.998 1.00 0.00 C ATOM 977 CG LYS A 66 -0.151 -11.269 8.487 1.00 0.00 C ATOM 978 CD LYS A 66 -1.587 -11.478 8.940 1.00 0.00 C ATOM 979 CE LYS A 66 -1.662 -11.771 10.431 1.00 0.00 C ATOM 980 NZ LYS A 66 -1.096 -10.661 11.244 1.00 0.00 N ATOM 0 H LYS A 66 1.220 -8.935 7.506 1.00 0.00 H new ATOM 0 HA LYS A 66 1.966 -11.600 6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.664 -10.082 6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.527 -11.797 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.436 -12.159 8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.292 -10.445 9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.175 -10.589 8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.029 -12.304 8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.701 -11.937 10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.121 -12.692 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.374 -10.783 12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.059 -10.671 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.459 -9.752 10.892 1.00 0.00 H new ATOM 994 N SER A 67 2.582 -10.689 4.420 1.00 0.00 N ATOM 995 CA SER A 67 2.769 -10.667 2.979 1.00 0.00 C ATOM 996 C SER A 67 2.202 -9.406 2.334 1.00 0.00 C ATOM 997 O SER A 67 1.359 -8.717 2.909 1.00 0.00 O ATOM 998 CB SER A 67 2.138 -11.903 2.349 1.00 0.00 C ATOM 999 OG SER A 67 2.728 -13.091 2.848 1.00 0.00 O ATOM 0 H SER A 67 3.449 -10.676 4.957 1.00 0.00 H new ATOM 0 HA SER A 67 3.844 -10.667 2.796 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.067 -11.912 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.256 -11.863 1.266 1.00 0.00 H new ATOM 0 HG SER A 67 2.303 -13.868 2.429 1.00 0.00 H new ATOM 1005 N ALA A 68 2.684 -9.122 1.126 1.00 0.00 N ATOM 1006 CA ALA A 68 2.254 -7.955 0.363 1.00 0.00 C ATOM 1007 C ALA A 68 0.737 -7.879 0.248 1.00 0.00 C ATOM 1008 O ALA A 68 0.174 -6.796 0.109 1.00 0.00 O ATOM 1009 CB ALA A 68 2.889 -7.978 -1.019 1.00 0.00 C ATOM 0 H ALA A 68 3.382 -9.694 0.650 1.00 0.00 H new ATOM 0 HA ALA A 68 2.584 -7.065 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.564 -7.104 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.974 -7.963 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.584 -8.883 -1.544 1.00 0.00 H new ATOM 1015 N GLU A 69 0.079 -9.027 0.311 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.373 -9.067 0.219 1.00 0.00 C ATOM 1017 C GLU A 69 -1.989 -8.370 1.422 1.00 0.00 C ATOM 1018 O GLU A 69 -2.982 -7.654 1.299 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.871 -10.510 0.130 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.430 -11.372 1.288 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.855 -12.821 1.136 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.073 -13.074 1.037 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -0.968 -13.700 1.115 1.00 0.00 O ATOM 0 H GLU A 69 0.524 -9.938 0.425 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.677 -8.545 -0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.960 -10.508 0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.513 -10.953 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.345 -11.324 1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.845 -10.971 2.213 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.380 -8.573 2.584 1.00 0.00 N ATOM 1031 CA GLU A 70 -1.844 -7.963 3.809 1.00 0.00 C ATOM 1032 C GLU A 70 -1.644 -6.456 3.775 1.00 0.00 C ATOM 1033 O GLU A 70 -2.533 -5.686 4.138 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.065 -8.580 4.965 1.00 0.00 C ATOM 1035 CG GLU A 70 -1.042 -7.752 6.225 1.00 0.00 C ATOM 1036 CD GLU A 70 -2.393 -7.675 6.908 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -2.940 -8.738 7.265 1.00 0.00 O ATOM 1038 OE2 GLU A 70 -2.907 -6.549 7.082 1.00 0.00 O ATOM 0 H GLU A 70 -0.556 -9.163 2.696 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.912 -8.145 3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.495 -9.555 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.038 -8.753 4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.314 -8.175 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.705 -6.744 5.985 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.461 -6.052 3.351 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.106 -4.640 3.277 1.00 0.00 C ATOM 1047 C VAL A 71 -0.930 -3.905 2.236 1.00 0.00 C ATOM 1048 O VAL A 71 -1.442 -2.820 2.494 1.00 0.00 O ATOM 1049 CB VAL A 71 1.385 -4.475 2.974 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.786 -3.008 3.001 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.186 -5.285 3.972 1.00 0.00 C ATOM 0 H VAL A 71 0.279 -6.686 3.049 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.325 -4.200 4.250 1.00 0.00 H new ATOM 0 HB VAL A 71 1.594 -4.844 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.850 -2.918 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.214 -2.461 2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.582 -2.593 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.250 -5.172 3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.976 -4.930 4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.910 -6.336 3.892 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.066 -4.498 1.059 1.00 0.00 N ATOM 1062 CA ALA A 72 -1.841 -3.883 -0.004 1.00 0.00 C ATOM 1063 C ALA A 72 -3.253 -3.574 0.480 1.00 0.00 C ATOM 1064 O ALA A 72 -3.777 -2.481 0.254 1.00 0.00 O ATOM 1065 CB ALA A 72 -1.872 -4.785 -1.227 1.00 0.00 C ATOM 0 H ALA A 72 -0.652 -5.399 0.818 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.365 -2.944 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.457 -4.310 -2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.855 -4.953 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.327 -5.740 -0.963 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.856 -4.539 1.167 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.199 -4.372 1.708 1.00 0.00 C ATOM 1073 C ASP A 73 -5.196 -3.369 2.859 1.00 0.00 C ATOM 1074 O ASP A 73 -6.071 -2.511 2.951 1.00 0.00 O ATOM 1075 CB ASP A 73 -5.753 -5.718 2.184 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.000 -6.681 1.039 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -6.773 -6.330 0.123 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -5.418 -7.786 1.057 1.00 0.00 O ATOM 0 H ASP A 73 -3.434 -5.447 1.362 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.841 -3.987 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.052 -6.167 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.686 -5.553 2.724 1.00 0.00 H new ATOM 1083 N THR A 74 -4.205 -3.485 3.735 1.00 0.00 N ATOM 1084 CA THR A 74 -4.088 -2.591 4.881 1.00 0.00 C ATOM 1085 C THR A 74 -4.003 -1.133 4.440 1.00 0.00 C ATOM 1086 O THR A 74 -4.692 -0.268 4.983 1.00 0.00 O ATOM 1087 CB THR A 74 -2.847 -2.934 5.729 1.00 0.00 C ATOM 1088 OG1 THR A 74 -2.906 -4.300 6.151 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.754 -2.031 6.949 1.00 0.00 C ATOM 0 H THR A 74 -3.470 -4.190 3.674 1.00 0.00 H new ATOM 0 HA THR A 74 -4.985 -2.729 5.484 1.00 0.00 H new ATOM 0 HB THR A 74 -1.962 -2.778 5.112 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.330 -4.845 5.576 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.870 -2.294 7.530 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.681 -0.992 6.628 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.644 -2.159 7.565 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.155 -0.866 3.452 1.00 0.00 N ATOM 1098 CA ILE A 75 -2.978 0.486 2.939 1.00 0.00 C ATOM 1099 C ILE A 75 -4.299 1.054 2.431 1.00 0.00 C ATOM 1100 O ILE A 75 -4.726 2.126 2.856 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.931 0.519 1.801 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.553 0.130 2.341 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.875 1.894 1.144 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.526 0.103 1.279 1.00 0.00 C ATOM 0 H ILE A 75 -2.579 -1.570 2.991 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.620 1.101 3.764 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.231 -0.203 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.266 0.834 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.618 -0.853 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.130 1.887 0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.852 2.137 0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.603 2.642 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.476 -0.180 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.261 -0.622 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.619 1.092 0.830 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.943 0.336 1.520 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.212 0.785 0.960 1.00 0.00 C ATOM 1118 C VAL A 76 -7.271 0.986 2.042 1.00 0.00 C ATOM 1119 O VAL A 76 -7.998 1.979 2.030 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.743 -0.201 -0.097 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -5.883 -0.144 -1.351 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.790 -1.615 0.462 1.00 0.00 C ATOM 0 H VAL A 76 -4.610 -0.556 1.154 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.015 1.745 0.483 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.759 0.090 -0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.270 -0.846 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.906 0.865 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.856 -0.410 -1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.168 -2.295 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.787 -1.923 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.449 -1.641 1.330 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.360 0.043 2.974 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.341 0.128 4.054 1.00 0.00 C ATOM 1134 C ASN A 77 -8.109 1.349 4.942 1.00 0.00 C ATOM 1135 O ASN A 77 -9.019 2.147 5.162 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.303 -1.144 4.905 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.894 -2.341 4.184 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -8.453 -2.708 3.096 1.00 0.00 O ATOM 1139 ND2 ASN A 77 -9.903 -2.957 4.790 1.00 0.00 N ATOM 0 H ASN A 77 -6.768 -0.787 3.005 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.323 0.232 3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.271 -1.363 5.181 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.851 -0.974 5.832 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.342 -3.767 4.353 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.238 -2.620 5.692 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.893 1.482 5.462 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.551 2.595 6.340 1.00 0.00 C ATOM 1148 C LYS A 78 -6.445 3.913 5.578 1.00 0.00 C ATOM 1149 O LYS A 78 -6.880 4.956 6.065 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.236 2.303 7.055 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.304 1.091 7.970 1.00 0.00 C ATOM 1152 CD LYS A 78 -3.989 0.859 8.697 1.00 0.00 C ATOM 1153 CE LYS A 78 -4.086 -0.311 9.663 1.00 0.00 C ATOM 1154 NZ LYS A 78 -2.796 -0.562 10.364 1.00 0.00 N ATOM 0 H LYS A 78 -6.127 0.831 5.290 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.355 2.700 7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.454 2.145 6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.948 3.176 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.103 1.230 8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.557 0.207 7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.199 0.668 7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.709 1.760 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.866 -0.111 10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.384 -1.207 9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.974 -0.698 11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.349 -1.416 9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.163 0.252 10.229 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.845 3.866 4.395 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.662 5.068 3.586 1.00 0.00 C ATOM 1170 C ALA A 79 -6.991 5.629 3.083 1.00 0.00 C ATOM 1171 O ALA A 79 -7.124 6.837 2.893 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.740 4.780 2.411 1.00 0.00 C ATOM 0 H ALA A 79 -5.477 3.013 3.974 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.207 5.823 4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.613 5.685 1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.769 4.451 2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.176 3.997 1.790 1.00 0.00 H new ATOM 1178 N GLY A 80 -7.973 4.758 2.874 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.267 5.220 2.400 1.00 0.00 C ATOM 1180 C GLY A 80 -10.061 4.145 1.690 1.00 0.00 C ATOM 1181 O GLY A 80 -11.198 3.850 2.058 1.00 0.00 O ATOM 0 H GLY A 80 -7.899 3.751 3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.845 5.591 3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.119 6.061 1.722 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.460 3.573 0.658 1.00 0.00 N ATOM 1186 CA LEU A 81 -10.107 2.535 -0.133 1.00 0.00 C ATOM 1187 C LEU A 81 -10.263 1.249 0.672 1.00 0.00 C ATOM 1188 O LEU A 81 -10.250 0.162 0.057 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.289 2.277 -1.396 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.882 3.540 -2.159 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.763 3.232 -3.141 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -10.079 4.130 -2.890 1.00 0.00 C ATOM 1193 OXT LEU A 81 -10.397 1.339 1.910 1.00 0.00 O ATOM 0 H LEU A 81 -8.519 3.812 0.346 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.105 2.876 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.389 1.726 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.866 1.636 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.519 4.274 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.487 4.141 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.897 2.852 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.102 2.481 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.771 5.027 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.469 3.399 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.855 4.387 -2.169 1.00 0.00 H new