USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 468 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: B 14 ASN : amide:sc= -16.4! C(o=-20!,f=-33!) USER MOD Set 1.2: B 17 THR OG1 : rot 170:sc= -3.63! USER MOD Set 2.1: A 14 ASN : amide:sc= -15.8! C(o=-21!,f=-30!) USER MOD Set 2.2: A 17 THR OG1 : rot -179:sc= -4.9! USER MOD Set 3.1: A 10 CYS SG : rot -92:sc= -8.09! USER MOD Set 3.2: B 10 CYS SG : rot 94:sc= -11.8! USER MOD Single : A 1 LYS N :NH3+ 143:sc= 0.0359 (180deg=-0.992) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot -15:sc= -0.219 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -5.77! C(o=-5.8!,f=-3.4!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ 175:sc= 0 (180deg=-0.0276) USER MOD Single : B 1 LYS NZ :NH3+ 156:sc= -0.401 (180deg=-1.18) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot -173:sc= -0.589 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -6.37! C(o=-6.4!,f=-3.8!) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 6.197 7.154 -15.189 1.00 0.00 N ATOM 2 CA LYS A 1 5.906 5.922 -14.400 1.00 0.00 C ATOM 3 C LYS A 1 7.173 5.328 -13.794 1.00 0.00 C ATOM 4 O LYS A 1 8.285 5.646 -14.220 1.00 0.00 O ATOM 5 CB LYS A 1 5.248 4.886 -15.310 1.00 0.00 C ATOM 6 CG LYS A 1 6.088 4.520 -16.522 1.00 0.00 C ATOM 7 CD LYS A 1 5.493 5.077 -17.806 1.00 0.00 C ATOM 8 CE LYS A 1 6.568 5.545 -18.768 1.00 0.00 C ATOM 9 NZ LYS A 1 7.143 6.863 -18.374 1.00 0.00 N ATOM 0 H1 LYS A 1 5.581 7.183 -16.027 1.00 0.00 H new ATOM 0 H2 LYS A 1 6.021 7.993 -14.600 1.00 0.00 H new ATOM 0 H3 LYS A 1 7.192 7.146 -15.491 1.00 0.00 H new ATOM 0 HA LYS A 1 5.237 6.193 -13.583 1.00 0.00 H new ATOM 0 HB2 LYS A 1 5.046 3.984 -14.733 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.286 5.271 -15.648 1.00 0.00 H new ATOM 0 HG2 LYS A 1 7.100 4.904 -16.393 1.00 0.00 H new ATOM 0 HG3 LYS A 1 6.166 3.435 -16.597 1.00 0.00 H new ATOM 0 HD2 LYS A 1 4.884 4.311 -18.286 1.00 0.00 H new ATOM 0 HD3 LYS A 1 4.830 5.909 -17.568 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.364 4.801 -18.810 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.148 5.619 -19.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 7.873 7.142 -19.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 6.390 7.580 -18.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 7.568 6.787 -17.428 1.00 0.00 H new ATOM 25 N LEU A 2 6.996 4.474 -12.785 1.00 0.00 N ATOM 26 CA LEU A 2 8.113 3.854 -12.109 1.00 0.00 C ATOM 27 C LEU A 2 8.689 2.611 -12.837 1.00 0.00 C ATOM 28 O LEU A 2 8.092 2.027 -13.742 1.00 0.00 O ATOM 29 CB LEU A 2 7.794 3.645 -10.618 1.00 0.00 C ATOM 30 CG LEU A 2 7.455 2.266 -10.146 1.00 0.00 C ATOM 31 CD1 LEU A 2 6.689 2.337 -8.872 1.00 0.00 C ATOM 32 CD2 LEU A 2 6.640 1.537 -11.121 1.00 0.00 C ATOM 0 H LEU A 2 6.082 4.201 -12.424 1.00 0.00 H new ATOM 0 HA LEU A 2 8.949 4.552 -12.153 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.654 3.990 -10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.959 4.297 -10.363 1.00 0.00 H new ATOM 0 HG LEU A 2 8.399 1.739 -10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.447 1.329 -8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.291 2.837 -8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.768 2.897 -9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.418 0.541 -10.737 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.708 2.076 -11.292 1.00 0.00 H new ATOM 0 HD23 LEU A 2 7.187 1.450 -12.060 1.00 0.00 H new ATOM 44 N PRO A 3 9.913 2.284 -12.416 1.00 0.00 N ATOM 45 CA PRO A 3 10.809 1.199 -12.898 1.00 0.00 C ATOM 46 C PRO A 3 10.509 -0.199 -12.424 1.00 0.00 C ATOM 47 O PRO A 3 9.691 -0.431 -11.540 1.00 0.00 O ATOM 48 CB PRO A 3 12.158 1.550 -12.277 1.00 0.00 C ATOM 49 CG PRO A 3 11.981 2.884 -11.685 1.00 0.00 C ATOM 50 CD PRO A 3 10.541 3.025 -11.381 1.00 0.00 C ATOM 0 HA PRO A 3 10.723 1.166 -13.984 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.444 0.819 -11.520 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.947 1.556 -13.029 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.580 2.989 -10.780 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.309 3.661 -12.376 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.297 2.626 -10.396 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.229 4.069 -11.388 1.00 0.00 H new ATOM 58 N PRO A 4 11.264 -1.144 -12.999 1.00 0.00 N ATOM 59 CA PRO A 4 11.231 -2.556 -12.662 1.00 0.00 C ATOM 60 C PRO A 4 11.522 -2.789 -11.220 1.00 0.00 C ATOM 61 O PRO A 4 12.078 -1.931 -10.528 1.00 0.00 O ATOM 62 CB PRO A 4 12.315 -3.113 -13.524 1.00 0.00 C ATOM 63 CG PRO A 4 12.300 -2.215 -14.659 1.00 0.00 C ATOM 64 CD PRO A 4 12.272 -0.915 -14.029 1.00 0.00 C ATOM 0 HA PRO A 4 10.255 -3.014 -12.826 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.280 -3.111 -13.016 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.112 -4.143 -13.818 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.181 -2.342 -15.289 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.429 -2.377 -15.293 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.239 -0.636 -13.609 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.985 -0.124 -14.722 1.00 0.00 H new ATOM 72 N GLY A 5 11.101 -3.935 -10.759 1.00 0.00 N ATOM 73 CA GLY A 5 11.270 -4.260 -9.379 1.00 0.00 C ATOM 74 C GLY A 5 10.230 -3.568 -8.512 1.00 0.00 C ATOM 75 O GLY A 5 9.760 -4.136 -7.525 1.00 0.00 O ATOM 0 H GLY A 5 10.641 -4.653 -11.319 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.196 -5.339 -9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.269 -3.967 -9.055 1.00 0.00 H new ATOM 79 N TRP A 6 9.855 -2.340 -8.903 1.00 0.00 N ATOM 80 CA TRP A 6 8.865 -1.565 -8.197 1.00 0.00 C ATOM 81 C TRP A 6 7.490 -2.141 -8.443 1.00 0.00 C ATOM 82 O TRP A 6 7.198 -2.651 -9.528 1.00 0.00 O ATOM 83 CB TRP A 6 8.847 -0.125 -8.703 1.00 0.00 C ATOM 84 CG TRP A 6 9.779 0.820 -8.064 1.00 0.00 C ATOM 85 CD1 TRP A 6 10.735 1.492 -8.700 1.00 0.00 C ATOM 86 CD2 TRP A 6 9.825 1.237 -6.726 1.00 0.00 C ATOM 87 NE1 TRP A 6 11.430 2.279 -7.836 1.00 0.00 N ATOM 88 CE2 TRP A 6 10.885 2.129 -6.597 1.00 0.00 C ATOM 89 CE3 TRP A 6 9.092 0.929 -5.633 1.00 0.00 C ATOM 90 CZ2 TRP A 6 11.205 2.710 -5.389 1.00 0.00 C ATOM 91 CZ3 TRP A 6 9.401 1.495 -4.448 1.00 0.00 C ATOM 92 CH2 TRP A 6 10.437 2.364 -4.321 1.00 0.00 C ATOM 0 H TRP A 6 10.241 -1.870 -9.722 1.00 0.00 H new ATOM 0 HA TRP A 6 9.118 -1.592 -7.137 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.059 -0.139 -9.772 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.836 0.263 -8.583 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.932 1.422 -9.759 1.00 0.00 H new ATOM 0 HE1 TRP A 6 12.221 2.877 -8.074 1.00 0.00 H new ATOM 0 HE3 TRP A 6 8.267 0.236 -5.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.025 3.406 -5.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.809 1.251 -3.578 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.655 2.789 -3.352 1.00 0.00 H new ATOM 103 N GLU A 7 6.638 -2.007 -7.457 1.00 0.00 N ATOM 104 CA GLU A 7 5.270 -2.460 -7.579 1.00 0.00 C ATOM 105 C GLU A 7 4.404 -1.787 -6.546 1.00 0.00 C ATOM 106 O GLU A 7 4.464 -2.098 -5.354 1.00 0.00 O ATOM 107 CB GLU A 7 5.144 -3.977 -7.477 1.00 0.00 C ATOM 108 CG GLU A 7 5.732 -4.585 -6.208 1.00 0.00 C ATOM 109 CD GLU A 7 4.926 -5.766 -5.703 1.00 0.00 C ATOM 110 OE1 GLU A 7 5.222 -6.908 -6.116 1.00 0.00 O ATOM 111 OE2 GLU A 7 3.999 -5.549 -4.894 1.00 0.00 O ATOM 0 H GLU A 7 6.867 -1.586 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 7 4.927 -2.181 -8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.089 -4.244 -7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.635 -4.427 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.756 -4.904 -6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.778 -3.822 -5.431 1.00 0.00 H new ATOM 118 N LYS A 8 3.607 -0.851 -7.024 1.00 0.00 N ATOM 119 CA LYS A 8 2.708 -0.098 -6.160 1.00 0.00 C ATOM 120 C LYS A 8 1.944 -1.072 -5.254 1.00 0.00 C ATOM 121 O LYS A 8 1.342 -2.028 -5.748 1.00 0.00 O ATOM 122 CB LYS A 8 1.676 0.695 -7.001 1.00 0.00 C ATOM 123 CG LYS A 8 0.940 1.769 -6.206 1.00 0.00 C ATOM 124 CD LYS A 8 -0.066 2.508 -7.073 1.00 0.00 C ATOM 125 CE LYS A 8 -0.391 3.880 -6.506 1.00 0.00 C ATOM 126 NZ LYS A 8 -1.291 4.656 -7.405 1.00 0.00 N ATOM 0 H LYS A 8 3.561 -0.591 -8.009 1.00 0.00 H new ATOM 0 HA LYS A 8 3.302 0.598 -5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.187 1.163 -7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.948 -0.000 -7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.427 1.311 -5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.660 2.478 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.332 2.616 -8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.981 1.920 -7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.863 3.767 -5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.533 4.436 -6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.488 5.585 -6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.831 4.787 -8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.184 4.138 -7.534 1.00 0.00 H new ATOM 140 N ARG A 9 1.966 -0.842 -3.943 1.00 0.00 N ATOM 141 CA ARG A 9 1.265 -1.730 -3.015 1.00 0.00 C ATOM 142 C ARG A 9 0.324 -0.955 -2.098 1.00 0.00 C ATOM 143 O ARG A 9 0.765 -0.316 -1.144 1.00 0.00 O ATOM 144 CB ARG A 9 2.271 -2.534 -2.186 1.00 0.00 C ATOM 145 CG ARG A 9 1.890 -3.998 -2.030 1.00 0.00 C ATOM 146 CD ARG A 9 2.335 -4.546 -0.686 1.00 0.00 C ATOM 147 NE ARG A 9 3.735 -4.392 -0.477 1.00 0.00 N ATOM 148 CZ ARG A 9 4.598 -5.385 -0.497 1.00 0.00 C ATOM 149 NH1 ARG A 9 4.266 -6.608 -0.904 1.00 0.00 N ATOM 150 NH2 ARG A 9 5.799 -5.116 -0.106 1.00 0.00 N ATOM 0 H ARG A 9 2.453 -0.061 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 9 0.660 -2.417 -3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.252 -2.469 -2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.361 -2.082 -1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.810 -4.107 -2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.344 -4.581 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.793 -4.035 0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.074 -5.602 -0.622 1.00 0.00 H new ATOM 0 HE ARG A 9 4.091 -3.453 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.314 -6.801 -1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.964 -7.352 -0.905 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.037 -4.172 0.198 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.510 -5.848 -0.101 1.00 0.00 H new ATOM 164 N CYS A 10 -0.980 -1.023 -2.394 1.00 0.00 N ATOM 165 CA CYS A 10 -1.989 -0.328 -1.589 1.00 0.00 C ATOM 166 C CYS A 10 -2.850 -1.313 -0.809 1.00 0.00 C ATOM 167 O CYS A 10 -3.800 -1.888 -1.346 1.00 0.00 O ATOM 168 CB CYS A 10 -2.878 0.570 -2.463 1.00 0.00 C ATOM 169 SG CYS A 10 -2.106 1.098 -4.028 1.00 0.00 S ATOM 0 H CYS A 10 -1.359 -1.550 -3.181 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.454 0.302 -0.878 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.801 0.037 -2.689 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.153 1.456 -1.891 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.510 2.240 -3.854 1.00 0.00 H new ATOM 174 N PHE A 11 -2.517 -1.489 0.469 1.00 0.00 N ATOM 175 CA PHE A 11 -3.265 -2.387 1.339 1.00 0.00 C ATOM 176 C PHE A 11 -3.998 -1.592 2.420 1.00 0.00 C ATOM 177 O PHE A 11 -3.444 -0.650 2.996 1.00 0.00 O ATOM 178 CB PHE A 11 -2.331 -3.422 2.003 1.00 0.00 C ATOM 179 CG PHE A 11 -1.403 -2.832 3.024 1.00 0.00 C ATOM 180 CD1 PHE A 11 -1.836 -2.642 4.325 1.00 0.00 C ATOM 181 CD2 PHE A 11 -0.108 -2.476 2.691 1.00 0.00 C ATOM 182 CE1 PHE A 11 -0.993 -2.105 5.278 1.00 0.00 C ATOM 183 CE2 PHE A 11 0.740 -1.936 3.639 1.00 0.00 C ATOM 184 CZ PHE A 11 0.297 -1.751 4.934 1.00 0.00 C ATOM 0 H PHE A 11 -1.733 -1.020 0.922 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.992 -2.918 0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.938 -4.192 2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.741 -3.914 1.230 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.844 -2.917 4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.243 -2.622 1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.342 -1.962 6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.748 -1.659 3.368 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.958 -1.330 5.677 1.00 0.00 H new ATOM 194 N TYR A 12 -5.223 -2.002 2.722 1.00 0.00 N ATOM 195 CA TYR A 12 -6.003 -1.369 3.770 1.00 0.00 C ATOM 196 C TYR A 12 -5.575 -1.982 5.092 1.00 0.00 C ATOM 197 O TYR A 12 -5.311 -3.184 5.148 1.00 0.00 O ATOM 198 CB TYR A 12 -7.508 -1.596 3.561 1.00 0.00 C ATOM 199 CG TYR A 12 -8.139 -0.504 2.725 1.00 0.00 C ATOM 200 CD1 TYR A 12 -8.176 -0.593 1.338 1.00 0.00 C ATOM 201 CD2 TYR A 12 -8.684 0.626 3.309 1.00 0.00 C ATOM 202 CE1 TYR A 12 -8.732 0.383 0.572 1.00 0.00 C ATOM 203 CE2 TYR A 12 -9.235 1.606 2.551 1.00 0.00 C ATOM 204 CZ TYR A 12 -9.267 1.495 1.178 1.00 0.00 C ATOM 205 OH TYR A 12 -9.828 2.495 0.416 1.00 0.00 O ATOM 0 H TYR A 12 -5.697 -2.773 2.252 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.828 -0.293 3.756 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.665 -2.559 3.076 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.005 -1.643 4.530 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.751 -1.461 0.856 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.670 0.729 4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.753 0.286 -0.503 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.652 2.481 3.027 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.558 2.384 -0.519 1.00 0.00 H new ATOM 215 N PHE A 13 -5.506 -1.188 6.149 1.00 0.00 N ATOM 216 CA PHE A 13 -5.129 -1.723 7.458 1.00 0.00 C ATOM 217 C PHE A 13 -6.143 -1.307 8.493 1.00 0.00 C ATOM 218 O PHE A 13 -6.274 -0.122 8.806 1.00 0.00 O ATOM 219 CB PHE A 13 -3.755 -1.249 7.899 1.00 0.00 C ATOM 220 CG PHE A 13 -3.169 -2.128 8.967 1.00 0.00 C ATOM 221 CD1 PHE A 13 -3.379 -1.867 10.317 1.00 0.00 C ATOM 222 CD2 PHE A 13 -2.384 -3.204 8.616 1.00 0.00 C ATOM 223 CE1 PHE A 13 -2.814 -2.660 11.285 1.00 0.00 C ATOM 224 CE2 PHE A 13 -1.824 -4.011 9.577 1.00 0.00 C ATOM 225 CZ PHE A 13 -2.034 -3.741 10.918 1.00 0.00 C ATOM 0 H PHE A 13 -5.701 -0.187 6.134 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.100 -2.809 7.364 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.086 -1.229 7.039 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.827 -0.227 8.271 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.995 -1.029 10.608 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.206 -3.416 7.572 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.978 -2.440 12.330 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.219 -4.857 9.285 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.591 -4.372 11.674 1.00 0.00 H new ATOM 235 N ASN A 14 -6.844 -2.285 9.039 1.00 0.00 N ATOM 236 CA ASN A 14 -7.823 -2.010 10.051 1.00 0.00 C ATOM 237 C ASN A 14 -7.195 -2.241 11.399 1.00 0.00 C ATOM 238 O ASN A 14 -7.354 -3.308 11.966 1.00 0.00 O ATOM 239 CB ASN A 14 -9.081 -2.875 9.934 1.00 0.00 C ATOM 240 CG ASN A 14 -8.838 -4.297 9.510 1.00 0.00 C ATOM 241 OD1 ASN A 14 -7.732 -4.671 9.175 1.00 0.00 O ATOM 242 ND2 ASN A 14 -9.900 -5.096 9.506 1.00 0.00 N ATOM 0 H ASN A 14 -6.747 -3.270 8.793 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.139 -0.975 9.921 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.590 -2.881 10.898 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.759 -2.409 9.218 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.806 -6.068 9.213 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.810 -4.737 9.796 1.00 0.00 H new ATOM 249 N ARG A 15 -6.455 -1.256 11.886 1.00 0.00 N ATOM 250 CA ARG A 15 -5.759 -1.371 13.157 1.00 0.00 C ATOM 251 C ARG A 15 -6.635 -1.960 14.281 1.00 0.00 C ATOM 252 O ARG A 15 -6.090 -2.462 15.267 1.00 0.00 O ATOM 253 CB ARG A 15 -5.121 -0.027 13.529 1.00 0.00 C ATOM 254 CG ARG A 15 -4.868 0.178 15.012 1.00 0.00 C ATOM 255 CD ARG A 15 -3.378 0.174 15.334 1.00 0.00 C ATOM 256 NE ARG A 15 -2.721 1.408 14.901 1.00 0.00 N ATOM 257 CZ ARG A 15 -2.709 2.542 15.610 1.00 0.00 C ATOM 258 NH1 ARG A 15 -3.316 2.609 16.794 1.00 0.00 N ATOM 259 NH2 ARG A 15 -2.086 3.614 15.133 1.00 0.00 N ATOM 0 H ARG A 15 -6.321 -0.361 11.415 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.958 -2.100 13.034 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.174 0.067 12.998 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.767 0.775 13.172 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.307 1.124 15.329 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.365 -0.609 15.579 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.239 0.047 16.408 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.904 -0.679 14.848 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.241 1.403 14.001 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.796 1.790 17.168 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.301 3.479 17.326 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.618 3.571 14.228 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.076 4.480 15.672 1.00 0.00 H new ATOM 273 N ILE A 16 -7.975 -1.994 14.124 1.00 0.00 N ATOM 274 CA ILE A 16 -8.809 -2.602 15.098 1.00 0.00 C ATOM 275 C ILE A 16 -8.516 -4.075 15.132 1.00 0.00 C ATOM 276 O ILE A 16 -8.174 -4.657 16.163 1.00 0.00 O ATOM 277 CB ILE A 16 -10.246 -2.408 14.734 1.00 0.00 C ATOM 278 CG1 ILE A 16 -10.673 -0.970 14.987 1.00 0.00 C ATOM 279 CG2 ILE A 16 -11.027 -3.386 15.545 1.00 0.00 C ATOM 280 CD1 ILE A 16 -9.625 -0.040 15.574 1.00 0.00 C ATOM 0 H ILE A 16 -8.470 -1.600 13.324 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.618 -2.149 16.071 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.421 -2.586 13.673 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.014 -0.545 14.043 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.531 -0.983 15.659 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.088 -3.284 15.315 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.700 -4.398 15.308 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.865 -3.191 16.605 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.053 0.954 15.706 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.297 -0.425 16.539 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.772 0.020 14.898 1.00 0.00 H new ATOM 292 N THR A 17 -8.612 -4.640 13.948 1.00 0.00 N ATOM 293 CA THR A 17 -8.325 -6.020 13.720 1.00 0.00 C ATOM 294 C THR A 17 -6.945 -6.126 13.126 1.00 0.00 C ATOM 295 O THR A 17 -6.574 -7.154 12.558 1.00 0.00 O ATOM 296 CB THR A 17 -9.407 -6.608 12.835 1.00 0.00 C ATOM 297 OG1 THR A 17 -9.086 -6.484 11.464 1.00 0.00 O ATOM 298 CG2 THR A 17 -10.729 -5.936 13.122 1.00 0.00 C ATOM 0 H THR A 17 -8.898 -4.135 13.109 1.00 0.00 H new ATOM 0 HA THR A 17 -8.327 -6.595 14.646 1.00 0.00 H new ATOM 0 HB THR A 17 -9.483 -7.671 13.062 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.812 -6.859 10.923 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.501 -6.364 12.482 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.997 -6.091 14.167 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.645 -4.868 12.924 1.00 0.00 H new ATOM 306 N GLY A 18 -6.225 -4.990 13.240 1.00 0.00 N ATOM 307 CA GLY A 18 -4.907 -4.815 12.668 1.00 0.00 C ATOM 308 C GLY A 18 -4.722 -5.644 11.427 1.00 0.00 C ATOM 309 O GLY A 18 -3.627 -6.134 11.149 1.00 0.00 O ATOM 0 H GLY A 18 -6.562 -4.168 13.742 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.751 -3.763 12.429 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.152 -5.090 13.404 1.00 0.00 H new ATOM 313 N LYS A 19 -5.824 -5.836 10.696 1.00 0.00 N ATOM 314 CA LYS A 19 -5.799 -6.642 9.509 1.00 0.00 C ATOM 315 C LYS A 19 -5.372 -5.876 8.290 1.00 0.00 C ATOM 316 O LYS A 19 -5.465 -4.652 8.228 1.00 0.00 O ATOM 317 CB LYS A 19 -7.155 -7.236 9.265 1.00 0.00 C ATOM 318 CG LYS A 19 -7.299 -8.578 9.891 1.00 0.00 C ATOM 319 CD LYS A 19 -8.393 -9.413 9.238 1.00 0.00 C ATOM 320 CE LYS A 19 -9.636 -8.587 8.945 1.00 0.00 C ATOM 321 NZ LYS A 19 -10.640 -9.344 8.145 1.00 0.00 N ATOM 0 H LYS A 19 -6.736 -5.437 10.919 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.061 -7.426 9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.920 -6.568 9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.327 -7.317 8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.350 -9.111 9.823 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.522 -8.459 10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.016 -9.844 8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.655 -10.244 9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.088 -8.268 9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.351 -7.684 8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.470 -8.742 7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.219 -9.626 7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.933 -10.193 8.669 1.00 0.00 H new ATOM 335 N ARG A 20 -4.920 -6.621 7.310 1.00 0.00 N ATOM 336 CA ARG A 20 -4.505 -6.033 6.066 1.00 0.00 C ATOM 337 C ARG A 20 -5.098 -6.744 4.884 1.00 0.00 C ATOM 338 O ARG A 20 -5.178 -7.974 4.839 1.00 0.00 O ATOM 339 CB ARG A 20 -3.002 -6.016 5.929 1.00 0.00 C ATOM 340 CG ARG A 20 -2.388 -7.380 5.640 1.00 0.00 C ATOM 341 CD ARG A 20 -0.868 -7.313 5.602 1.00 0.00 C ATOM 342 NE ARG A 20 -0.279 -7.426 6.938 1.00 0.00 N ATOM 343 CZ ARG A 20 0.263 -6.408 7.616 1.00 0.00 C ATOM 344 NH1 ARG A 20 0.295 -5.181 7.098 1.00 0.00 N ATOM 345 NH2 ARG A 20 0.775 -6.620 8.825 1.00 0.00 N ATOM 0 H ARG A 20 -4.831 -7.636 7.353 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.872 -5.007 6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.729 -5.329 5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.569 -5.622 6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.703 -8.091 6.404 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.760 -7.753 4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.486 -8.114 4.969 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.558 -6.372 5.148 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.282 -8.344 7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.097 -5.008 6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.712 -4.415 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.753 -7.555 9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.189 -5.847 9.346 1.00 0.00 H new ATOM 359 N GLN A 21 -5.502 -5.945 3.928 1.00 0.00 N ATOM 360 CA GLN A 21 -6.083 -6.443 2.715 1.00 0.00 C ATOM 361 C GLN A 21 -5.822 -5.460 1.600 1.00 0.00 C ATOM 362 O GLN A 21 -5.839 -4.256 1.831 1.00 0.00 O ATOM 363 CB GLN A 21 -7.574 -6.624 2.874 1.00 0.00 C ATOM 364 CG GLN A 21 -8.108 -6.101 4.175 1.00 0.00 C ATOM 365 CD GLN A 21 -9.553 -6.453 4.412 1.00 0.00 C ATOM 366 OE1 GLN A 21 -9.860 -7.389 5.150 1.00 0.00 O ATOM 367 NE2 GLN A 21 -10.452 -5.715 3.794 1.00 0.00 N ATOM 0 H GLN A 21 -5.435 -4.928 3.973 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.634 -7.408 2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.082 -6.119 2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.813 -7.684 2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.506 -6.498 4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.998 -5.017 4.195 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.155 -4.948 3.191 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.445 -5.910 3.919 1.00 0.00 H new ATOM 376 N PHE A 22 -5.642 -5.941 0.386 1.00 0.00 N ATOM 377 CA PHE A 22 -5.448 -5.037 -0.745 1.00 0.00 C ATOM 378 C PHE A 22 -6.824 -4.573 -1.234 1.00 0.00 C ATOM 379 O PHE A 22 -7.099 -4.524 -2.436 1.00 0.00 O ATOM 380 CB PHE A 22 -4.712 -5.753 -1.868 1.00 0.00 C ATOM 381 CG PHE A 22 -3.268 -6.038 -1.562 1.00 0.00 C ATOM 382 CD1 PHE A 22 -2.391 -5.009 -1.262 1.00 0.00 C ATOM 383 CD2 PHE A 22 -2.786 -7.336 -1.570 1.00 0.00 C ATOM 384 CE1 PHE A 22 -1.074 -5.269 -0.979 1.00 0.00 C ATOM 385 CE2 PHE A 22 -1.468 -7.598 -1.286 1.00 0.00 C ATOM 386 CZ PHE A 22 -0.615 -6.563 -0.992 1.00 0.00 C ATOM 0 H PHE A 22 -5.625 -6.934 0.153 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.851 -4.179 -0.436 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.221 -6.693 -2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.769 -5.147 -2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.748 -3.990 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.454 -8.152 -1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.400 -4.458 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.104 -8.615 -1.294 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.422 -6.768 -0.770 1.00 0.00 H new ATOM 396 N GLU A 23 -7.700 -4.304 -0.267 1.00 0.00 N ATOM 397 CA GLU A 23 -9.070 -3.926 -0.516 1.00 0.00 C ATOM 398 C GLU A 23 -9.574 -2.877 0.402 1.00 0.00 C ATOM 399 O GLU A 23 -9.254 -2.864 1.585 1.00 0.00 O ATOM 400 CB GLU A 23 -9.963 -5.134 -0.266 1.00 0.00 C ATOM 401 CG GLU A 23 -11.144 -4.832 0.661 1.00 0.00 C ATOM 402 CD GLU A 23 -12.028 -6.038 0.920 1.00 0.00 C ATOM 403 OE1 GLU A 23 -11.497 -7.094 1.325 1.00 0.00 O ATOM 404 OE2 GLU A 23 -13.256 -5.924 0.721 1.00 0.00 O ATOM 0 H GLU A 23 -7.463 -4.346 0.724 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.095 -3.554 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.343 -5.500 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.365 -5.936 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.764 -4.458 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.746 -4.036 0.223 1.00 0.00 H new ATOM 411 N ARG A 24 -10.513 -2.130 -0.143 1.00 0.00 N ATOM 412 CA ARG A 24 -11.259 -1.176 0.607 1.00 0.00 C ATOM 413 C ARG A 24 -12.414 -1.972 1.183 1.00 0.00 C ATOM 414 O ARG A 24 -13.326 -2.399 0.471 1.00 0.00 O ATOM 415 CB ARG A 24 -11.698 -0.039 -0.280 1.00 0.00 C ATOM 416 CG ARG A 24 -12.586 0.931 0.423 1.00 0.00 C ATOM 417 CD ARG A 24 -12.694 2.227 -0.351 1.00 0.00 C ATOM 418 NE ARG A 24 -12.685 3.394 0.523 1.00 0.00 N ATOM 419 CZ ARG A 24 -13.708 3.764 1.299 1.00 0.00 C ATOM 420 NH1 ARG A 24 -14.838 3.058 1.317 1.00 0.00 N ATOM 421 NH2 ARG A 24 -13.601 4.847 2.060 1.00 0.00 N ATOM 0 H ARG A 24 -10.772 -2.179 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.686 -0.699 1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.818 0.485 -0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.221 -0.442 -1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.577 0.496 0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.195 1.131 1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.866 2.297 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.612 2.222 -0.938 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.841 3.966 0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.929 2.226 0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.612 3.350 1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.740 5.394 2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.380 5.132 2.654 1.00 0.00 H new ATOM 435 N PRO A 25 -12.324 -2.237 2.481 1.00 0.00 N ATOM 436 CA PRO A 25 -13.287 -3.061 3.214 1.00 0.00 C ATOM 437 C PRO A 25 -14.702 -2.551 3.160 1.00 0.00 C ATOM 438 O PRO A 25 -14.950 -1.397 2.809 1.00 0.00 O ATOM 439 CB PRO A 25 -12.737 -3.099 4.618 1.00 0.00 C ATOM 440 CG PRO A 25 -11.322 -2.680 4.503 1.00 0.00 C ATOM 441 CD PRO A 25 -11.235 -1.765 3.335 1.00 0.00 C ATOM 0 HA PRO A 25 -13.380 -4.051 2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.292 -2.429 5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.816 -4.100 5.043 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.993 -2.177 5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.673 -3.545 4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.369 -0.723 3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.269 -1.835 2.836 1.00 0.00 H new ATOM 449 N SER A 26 -15.611 -3.470 3.483 1.00 0.00 N ATOM 450 CA SER A 26 -17.057 -3.243 3.488 1.00 0.00 C ATOM 451 C SER A 26 -17.426 -1.805 3.620 1.00 0.00 C ATOM 452 O SER A 26 -18.269 -1.286 2.886 1.00 0.00 O ATOM 453 CB SER A 26 -17.680 -4.019 4.616 1.00 0.00 C ATOM 454 OG SER A 26 -19.074 -3.777 4.716 1.00 0.00 O ATOM 0 H SER A 26 -15.356 -4.419 3.756 1.00 0.00 H new ATOM 0 HA SER A 26 -17.434 -3.583 2.523 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.506 -5.084 4.464 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.196 -3.748 5.554 1.00 0.00 H new ATOM 0 HG SER A 26 -19.444 -4.299 5.458 1.00 0.00 H new ATOM 460 N ASP A 27 -16.738 -1.175 4.527 1.00 0.00 N ATOM 461 CA ASP A 27 -16.895 0.234 4.774 1.00 0.00 C ATOM 462 C ASP A 27 -18.236 0.595 5.429 1.00 0.00 C ATOM 463 O ASP A 27 -18.271 1.597 6.173 1.00 0.00 O ATOM 464 CB ASP A 27 -16.694 0.905 3.443 1.00 0.00 C ATOM 465 CG ASP A 27 -17.780 1.899 3.060 1.00 0.00 C ATOM 466 OD1 ASP A 27 -18.827 1.465 2.536 1.00 0.00 O ATOM 467 OD2 ASP A 27 -17.579 3.111 3.281 1.00 0.00 O ATOM 468 OXT ASP A 27 -19.235 -0.121 5.197 1.00 0.00 O ATOM 0 H ASP A 27 -16.045 -1.627 5.123 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.164 0.579 5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.735 1.422 3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.634 0.138 2.671 1.00 0.00 H new TER 473 ASP A 27 ATOM 474 N LYS B 1 -17.477 6.262 4.416 1.00 0.00 N ATOM 475 CA LYS B 1 -16.003 6.146 4.607 1.00 0.00 C ATOM 476 C LYS B 1 -15.619 4.802 5.229 1.00 0.00 C ATOM 477 O LYS B 1 -16.482 4.063 5.710 1.00 0.00 O ATOM 478 CB LYS B 1 -15.530 7.299 5.501 1.00 0.00 C ATOM 479 CG LYS B 1 -16.165 7.308 6.886 1.00 0.00 C ATOM 480 CD LYS B 1 -17.255 8.362 6.996 1.00 0.00 C ATOM 481 CE LYS B 1 -16.686 9.726 7.334 1.00 0.00 C ATOM 482 NZ LYS B 1 -16.196 10.447 6.126 1.00 0.00 N ATOM 0 H1 LYS B 1 -17.708 7.216 4.072 1.00 0.00 H new ATOM 0 H2 LYS B 1 -17.793 5.557 3.720 1.00 0.00 H new ATOM 0 H3 LYS B 1 -17.959 6.094 5.322 1.00 0.00 H new ATOM 0 HA LYS B 1 -15.517 6.201 3.633 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -14.447 7.241 5.609 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -15.751 8.244 5.005 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -16.585 6.325 7.100 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -15.398 7.497 7.637 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -17.802 8.419 6.055 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -17.971 8.066 7.763 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -17.452 10.325 7.827 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -15.866 9.610 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -16.200 11.471 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -15.228 10.138 5.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -16.818 10.236 5.320 1.00 0.00 H new ATOM 498 N LEU B 2 -14.319 4.493 5.217 1.00 0.00 N ATOM 499 CA LEU B 2 -13.807 3.250 5.772 1.00 0.00 C ATOM 500 C LEU B 2 -14.351 2.920 7.152 1.00 0.00 C ATOM 501 O LEU B 2 -14.625 3.801 7.970 1.00 0.00 O ATOM 502 CB LEU B 2 -12.316 3.343 5.927 1.00 0.00 C ATOM 503 CG LEU B 2 -11.480 3.131 4.683 1.00 0.00 C ATOM 504 CD1 LEU B 2 -10.043 3.349 5.056 1.00 0.00 C ATOM 505 CD2 LEU B 2 -11.662 1.739 4.121 1.00 0.00 C ATOM 0 H LEU B 2 -13.600 5.099 4.823 1.00 0.00 H new ATOM 0 HA LEU B 2 -14.121 2.474 5.074 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -12.078 4.327 6.331 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -12.007 2.610 6.672 1.00 0.00 H new ATOM 0 HG LEU B 2 -11.795 3.833 3.911 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -9.413 3.203 4.178 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -9.914 4.365 5.430 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -9.756 2.638 5.831 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -11.047 1.624 3.229 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -11.361 1.003 4.867 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -12.709 1.585 3.862 1.00 0.00 H new ATOM 517 N PRO B 3 -14.418 1.616 7.435 1.00 0.00 N ATOM 518 CA PRO B 3 -14.822 1.078 8.730 1.00 0.00 C ATOM 519 C PRO B 3 -13.771 1.372 9.765 1.00 0.00 C ATOM 520 O PRO B 3 -12.617 1.650 9.435 1.00 0.00 O ATOM 521 CB PRO B 3 -14.914 -0.420 8.517 1.00 0.00 C ATOM 522 CG PRO B 3 -14.838 -0.589 7.048 1.00 0.00 C ATOM 523 CD PRO B 3 -14.029 0.554 6.525 1.00 0.00 C ATOM 0 HA PRO B 3 -15.759 1.512 9.078 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -14.101 -0.943 9.020 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -15.846 -0.821 8.915 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -14.373 -1.541 6.792 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -15.835 -0.592 6.607 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -12.959 0.352 6.563 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -14.272 0.790 5.489 1.00 0.00 H new ATOM 531 N PRO B 4 -14.151 1.324 11.026 1.00 0.00 N ATOM 532 CA PRO B 4 -13.261 1.586 12.131 1.00 0.00 C ATOM 533 C PRO B 4 -11.958 0.856 12.059 1.00 0.00 C ATOM 534 O PRO B 4 -11.870 -0.297 11.628 1.00 0.00 O ATOM 535 CB PRO B 4 -14.085 1.168 13.288 1.00 0.00 C ATOM 536 CG PRO B 4 -15.419 1.560 12.861 1.00 0.00 C ATOM 537 CD PRO B 4 -15.493 1.024 11.515 1.00 0.00 C ATOM 0 HA PRO B 4 -12.932 2.624 12.167 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -14.014 0.096 13.475 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.785 1.672 14.207 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -16.190 1.141 13.507 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -15.546 2.642 12.873 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -15.706 -0.045 11.507 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -16.267 1.508 10.920 1.00 0.00 H new ATOM 545 N GLY B 5 -10.944 1.572 12.486 1.00 0.00 N ATOM 546 CA GLY B 5 -9.609 1.056 12.485 1.00 0.00 C ATOM 547 C GLY B 5 -8.975 0.955 11.096 1.00 0.00 C ATOM 548 O GLY B 5 -7.752 0.869 10.995 1.00 0.00 O ATOM 0 H GLY B 5 -11.028 2.524 12.841 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -8.985 1.694 13.111 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -9.614 0.067 12.942 1.00 0.00 H new ATOM 552 N TRP B 6 -9.786 0.957 10.022 1.00 0.00 N ATOM 553 CA TRP B 6 -9.258 0.844 8.665 1.00 0.00 C ATOM 554 C TRP B 6 -8.651 2.146 8.179 1.00 0.00 C ATOM 555 O TRP B 6 -9.104 3.235 8.533 1.00 0.00 O ATOM 556 CB TRP B 6 -10.360 0.470 7.678 1.00 0.00 C ATOM 557 CG TRP B 6 -10.655 -0.970 7.516 1.00 0.00 C ATOM 558 CD1 TRP B 6 -11.860 -1.513 7.670 1.00 0.00 C ATOM 559 CD2 TRP B 6 -9.800 -2.017 7.114 1.00 0.00 C ATOM 560 NE1 TRP B 6 -11.826 -2.853 7.469 1.00 0.00 N ATOM 561 CE2 TRP B 6 -10.565 -3.197 7.110 1.00 0.00 C ATOM 562 CE3 TRP B 6 -8.474 -2.090 6.776 1.00 0.00 C ATOM 563 CZ2 TRP B 6 -10.021 -4.424 6.768 1.00 0.00 C ATOM 564 CZ3 TRP B 6 -7.938 -3.299 6.438 1.00 0.00 C ATOM 565 CH2 TRP B 6 -8.692 -4.442 6.434 1.00 0.00 C ATOM 0 H TRP B 6 -10.802 1.035 10.075 1.00 0.00 H new ATOM 0 HA TRP B 6 -8.492 0.070 8.708 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -11.277 0.971 7.988 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -10.091 0.873 6.701 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -12.751 -0.957 7.923 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -12.614 -3.493 7.570 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -7.860 -1.201 6.777 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -10.617 -5.325 6.765 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -6.894 -3.355 6.167 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -8.229 -5.379 6.161 1.00 0.00 H new ATOM 576 N GLU B 7 -7.659 2.003 7.319 1.00 0.00 N ATOM 577 CA GLU B 7 -6.991 3.133 6.696 1.00 0.00 C ATOM 578 C GLU B 7 -6.325 2.667 5.412 1.00 0.00 C ATOM 579 O GLU B 7 -5.542 1.715 5.421 1.00 0.00 O ATOM 580 CB GLU B 7 -5.955 3.767 7.636 1.00 0.00 C ATOM 581 CG GLU B 7 -6.541 4.750 8.641 1.00 0.00 C ATOM 582 CD GLU B 7 -7.200 5.946 7.978 1.00 0.00 C ATOM 583 OE1 GLU B 7 -6.484 6.923 7.671 1.00 0.00 O ATOM 584 OE2 GLU B 7 -8.431 5.907 7.765 1.00 0.00 O ATOM 0 H GLU B 7 -7.292 1.096 7.031 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.735 3.898 6.473 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -5.440 2.974 8.178 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -5.205 4.282 7.036 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -7.274 4.235 9.261 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -5.750 5.099 9.305 1.00 0.00 H new ATOM 591 N LYS B 8 -6.648 3.331 4.308 1.00 0.00 N ATOM 592 CA LYS B 8 -6.085 2.965 3.020 1.00 0.00 C ATOM 593 C LYS B 8 -4.654 3.502 2.916 1.00 0.00 C ATOM 594 O LYS B 8 -4.431 4.710 3.020 1.00 0.00 O ATOM 595 CB LYS B 8 -6.939 3.541 1.861 1.00 0.00 C ATOM 596 CG LYS B 8 -6.584 2.953 0.496 1.00 0.00 C ATOM 597 CD LYS B 8 -6.238 4.045 -0.505 1.00 0.00 C ATOM 598 CE LYS B 8 -5.415 3.501 -1.664 1.00 0.00 C ATOM 599 NZ LYS B 8 -6.245 3.272 -2.880 1.00 0.00 N ATOM 0 H LYS B 8 -7.293 4.121 4.282 1.00 0.00 H new ATOM 0 HA LYS B 8 -6.080 1.878 2.940 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -7.993 3.352 2.067 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -6.810 4.623 1.827 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -5.740 2.272 0.600 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -7.423 2.366 0.121 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -7.155 4.493 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -5.682 4.837 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -4.613 4.201 -1.899 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -4.943 2.565 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -5.645 2.902 -3.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -6.995 2.584 -2.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -6.675 4.170 -3.181 1.00 0.00 H new ATOM 613 N ARG B 9 -3.693 2.604 2.716 1.00 0.00 N ATOM 614 CA ARG B 9 -2.285 2.995 2.604 1.00 0.00 C ATOM 615 C ARG B 9 -1.633 2.330 1.397 1.00 0.00 C ATOM 616 O ARG B 9 -1.921 1.172 1.096 1.00 0.00 O ATOM 617 CB ARG B 9 -1.527 2.622 3.881 1.00 0.00 C ATOM 618 CG ARG B 9 -2.125 3.226 5.144 1.00 0.00 C ATOM 619 CD ARG B 9 -1.213 3.031 6.347 1.00 0.00 C ATOM 620 NE ARG B 9 0.100 3.541 6.133 1.00 0.00 N ATOM 621 CZ ARG B 9 0.446 4.792 6.345 1.00 0.00 C ATOM 622 NH1 ARG B 9 -0.455 5.749 6.556 1.00 0.00 N ATOM 623 NH2 ARG B 9 1.711 5.057 6.335 1.00 0.00 N ATOM 0 H ARG B 9 -3.860 1.602 2.628 1.00 0.00 H new ATOM 0 HA ARG B 9 -2.242 4.076 2.468 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.511 1.537 3.980 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -0.491 2.949 3.787 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -2.302 4.290 4.990 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -3.094 2.768 5.343 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.653 3.524 7.214 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -1.151 1.968 6.582 1.00 0.00 H new ATOM 0 HE ARG B 9 0.815 2.897 5.795 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -1.449 5.522 6.557 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -0.151 6.709 6.717 1.00 0.00 H new ATOM 0 HH21 ARG B 9 2.387 4.312 6.168 1.00 0.00 H new ATOM 0 HH22 ARG B 9 2.033 6.012 6.494 1.00 0.00 H new ATOM 637 N CYS B 10 -0.757 3.063 0.702 1.00 0.00 N ATOM 638 CA CYS B 10 -0.087 2.512 -0.478 1.00 0.00 C ATOM 639 C CYS B 10 1.362 2.961 -0.607 1.00 0.00 C ATOM 640 O CYS B 10 1.639 4.117 -0.935 1.00 0.00 O ATOM 641 CB CYS B 10 -0.843 2.901 -1.755 1.00 0.00 C ATOM 642 SG CYS B 10 -0.062 2.322 -3.294 1.00 0.00 S ATOM 0 H CYS B 10 -0.499 4.023 0.931 1.00 0.00 H new ATOM 0 HA CYS B 10 -0.089 1.430 -0.348 1.00 0.00 H new ATOM 0 HB2 CYS B 10 -1.855 2.499 -1.701 1.00 0.00 H new ATOM 0 HB3 CYS B 10 -0.933 3.987 -1.793 1.00 0.00 H new ATOM 0 HG CYS B 10 -0.573 1.176 -3.635 1.00 0.00 H new ATOM 647 N PHE B 11 2.282 2.016 -0.408 1.00 0.00 N ATOM 648 CA PHE B 11 3.702 2.290 -0.567 1.00 0.00 C ATOM 649 C PHE B 11 4.247 1.442 -1.716 1.00 0.00 C ATOM 650 O PHE B 11 3.979 0.240 -1.794 1.00 0.00 O ATOM 651 CB PHE B 11 4.510 2.019 0.724 1.00 0.00 C ATOM 652 CG PHE B 11 4.655 0.571 1.086 1.00 0.00 C ATOM 653 CD1 PHE B 11 5.575 -0.226 0.413 1.00 0.00 C ATOM 654 CD2 PHE B 11 3.896 0.008 2.108 1.00 0.00 C ATOM 655 CE1 PHE B 11 5.737 -1.562 0.749 1.00 0.00 C ATOM 656 CE2 PHE B 11 4.051 -1.330 2.449 1.00 0.00 C ATOM 657 CZ PHE B 11 4.973 -2.116 1.769 1.00 0.00 C ATOM 0 H PHE B 11 2.065 1.057 -0.137 1.00 0.00 H new ATOM 0 HA PHE B 11 3.814 3.351 -0.789 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.504 2.451 0.611 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.029 2.539 1.552 1.00 0.00 H new ATOM 0 HD1 PHE B 11 6.170 0.200 -0.381 1.00 0.00 H new ATOM 0 HD2 PHE B 11 3.180 0.617 2.641 1.00 0.00 H new ATOM 0 HE1 PHE B 11 6.455 -2.170 0.219 1.00 0.00 H new ATOM 0 HE2 PHE B 11 3.456 -1.758 3.242 1.00 0.00 H new ATOM 0 HZ PHE B 11 5.096 -3.156 2.033 1.00 0.00 H new ATOM 667 N TYR B 12 5.027 2.061 -2.588 1.00 0.00 N ATOM 668 CA TYR B 12 5.636 1.354 -3.700 1.00 0.00 C ATOM 669 C TYR B 12 6.797 0.543 -3.162 1.00 0.00 C ATOM 670 O TYR B 12 7.476 0.988 -2.236 1.00 0.00 O ATOM 671 CB TYR B 12 6.148 2.329 -4.768 1.00 0.00 C ATOM 672 CG TYR B 12 5.141 2.547 -5.879 1.00 0.00 C ATOM 673 CD1 TYR B 12 5.118 1.727 -7.000 1.00 0.00 C ATOM 674 CD2 TYR B 12 4.217 3.591 -5.825 1.00 0.00 C ATOM 675 CE1 TYR B 12 4.230 1.928 -8.019 1.00 0.00 C ATOM 676 CE2 TYR B 12 3.316 3.805 -6.838 1.00 0.00 C ATOM 677 CZ TYR B 12 3.318 2.973 -7.945 1.00 0.00 C ATOM 678 OH TYR B 12 2.416 3.178 -8.964 1.00 0.00 O ATOM 0 H TYR B 12 5.253 3.055 -2.545 1.00 0.00 H new ATOM 0 HA TYR B 12 4.890 0.710 -4.166 1.00 0.00 H new ATOM 0 HB2 TYR B 12 6.383 3.285 -4.301 1.00 0.00 H new ATOM 0 HB3 TYR B 12 7.076 1.945 -5.192 1.00 0.00 H new ATOM 0 HD1 TYR B 12 5.820 0.909 -7.068 1.00 0.00 H new ATOM 0 HD2 TYR B 12 4.211 4.246 -4.966 1.00 0.00 H new ATOM 0 HE1 TYR B 12 4.237 1.276 -8.880 1.00 0.00 H new ATOM 0 HE2 TYR B 12 2.609 4.619 -6.772 1.00 0.00 H new ATOM 0 HH TYR B 12 1.928 4.013 -8.806 1.00 0.00 H new ATOM 688 N PHE B 13 7.041 -0.623 -3.729 1.00 0.00 N ATOM 689 CA PHE B 13 8.163 -1.444 -3.286 1.00 0.00 C ATOM 690 C PHE B 13 8.956 -1.914 -4.476 1.00 0.00 C ATOM 691 O PHE B 13 8.463 -2.692 -5.297 1.00 0.00 O ATOM 692 CB PHE B 13 7.715 -2.658 -2.492 1.00 0.00 C ATOM 693 CG PHE B 13 8.834 -3.238 -1.677 1.00 0.00 C ATOM 694 CD1 PHE B 13 9.083 -2.750 -0.407 1.00 0.00 C ATOM 695 CD2 PHE B 13 9.625 -4.283 -2.164 1.00 0.00 C ATOM 696 CE1 PHE B 13 10.096 -3.276 0.369 1.00 0.00 C ATOM 697 CE2 PHE B 13 10.634 -4.826 -1.394 1.00 0.00 C ATOM 698 CZ PHE B 13 10.877 -4.322 -0.120 1.00 0.00 C ATOM 0 H PHE B 13 6.489 -1.023 -4.487 1.00 0.00 H new ATOM 0 HA PHE B 13 8.775 -0.819 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE B 13 6.893 -2.378 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE B 13 7.332 -3.417 -3.174 1.00 0.00 H new ATOM 0 HD1 PHE B 13 8.476 -1.946 -0.017 1.00 0.00 H new ATOM 0 HD2 PHE B 13 9.444 -4.671 -3.156 1.00 0.00 H new ATOM 0 HE1 PHE B 13 10.284 -2.877 1.355 1.00 0.00 H new ATOM 0 HE2 PHE B 13 11.232 -5.639 -1.779 1.00 0.00 H new ATOM 0 HZ PHE B 13 11.667 -4.739 0.487 1.00 0.00 H new ATOM 708 N ASN B 14 10.193 -1.466 -4.553 1.00 0.00 N ATOM 709 CA ASN B 14 11.053 -1.868 -5.625 1.00 0.00 C ATOM 710 C ASN B 14 11.890 -3.019 -5.157 1.00 0.00 C ATOM 711 O ASN B 14 13.000 -2.810 -4.700 1.00 0.00 O ATOM 712 CB ASN B 14 11.975 -0.753 -6.118 1.00 0.00 C ATOM 713 CG ASN B 14 12.533 0.130 -5.039 1.00 0.00 C ATOM 714 OD1 ASN B 14 12.126 0.051 -3.899 1.00 0.00 O ATOM 715 ND2 ASN B 14 13.462 1.003 -5.417 1.00 0.00 N ATOM 0 H ASN B 14 10.616 -0.824 -3.882 1.00 0.00 H new ATOM 0 HA ASN B 14 10.415 -2.143 -6.465 1.00 0.00 H new ATOM 0 HB2 ASN B 14 12.804 -1.202 -6.665 1.00 0.00 H new ATOM 0 HB3 ASN B 14 11.425 -0.133 -6.826 1.00 0.00 H new ATOM 0 HD21 ASN B 14 13.865 1.646 -4.735 1.00 0.00 H new ATOM 0 HD22 ASN B 14 13.771 1.030 -6.389 1.00 0.00 H new ATOM 722 N ARG B 15 11.353 -4.224 -5.243 1.00 0.00 N ATOM 723 CA ARG B 15 12.065 -5.402 -4.787 1.00 0.00 C ATOM 724 C ARG B 15 13.508 -5.459 -5.327 1.00 0.00 C ATOM 725 O ARG B 15 14.337 -6.180 -4.766 1.00 0.00 O ATOM 726 CB ARG B 15 11.249 -6.665 -5.086 1.00 0.00 C ATOM 727 CG ARG B 15 12.057 -7.946 -5.191 1.00 0.00 C ATOM 728 CD ARG B 15 11.802 -8.869 -4.003 1.00 0.00 C ATOM 729 NE ARG B 15 12.126 -8.228 -2.727 1.00 0.00 N ATOM 730 CZ ARG B 15 13.353 -8.181 -2.199 1.00 0.00 C ATOM 731 NH1 ARG B 15 14.385 -8.742 -2.827 1.00 0.00 N ATOM 732 NH2 ARG B 15 13.548 -7.570 -1.035 1.00 0.00 N ATOM 0 H ARG B 15 10.426 -4.411 -5.625 1.00 0.00 H new ATOM 0 HA ARG B 15 12.175 -5.341 -3.704 1.00 0.00 H new ATOM 0 HB2 ARG B 15 10.501 -6.789 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG B 15 10.709 -6.517 -6.021 1.00 0.00 H new ATOM 0 HG2 ARG B 15 11.802 -8.463 -6.116 1.00 0.00 H new ATOM 0 HG3 ARG B 15 13.119 -7.704 -5.244 1.00 0.00 H new ATOM 0 HD2 ARG B 15 10.755 -9.174 -4.000 1.00 0.00 H new ATOM 0 HD3 ARG B 15 12.397 -9.775 -4.114 1.00 0.00 H new ATOM 0 HE ARG B 15 11.366 -7.789 -2.207 1.00 0.00 H new ATOM 0 HH11 ARG B 15 14.243 -9.214 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG B 15 15.317 -8.700 -2.415 1.00 0.00 H new ATOM 0 HH21 ARG B 15 12.763 -7.139 -0.547 1.00 0.00 H new ATOM 0 HH22 ARG B 15 14.483 -7.532 -0.629 1.00 0.00 H new ATOM 746 N ILE B 16 13.855 -4.643 -6.350 1.00 0.00 N ATOM 747 CA ILE B 16 15.186 -4.591 -6.829 1.00 0.00 C ATOM 748 C ILE B 16 16.072 -4.052 -5.736 1.00 0.00 C ATOM 749 O ILE B 16 17.064 -4.660 -5.331 1.00 0.00 O ATOM 750 CB ILE B 16 15.275 -3.663 -8.002 1.00 0.00 C ATOM 751 CG1 ILE B 16 14.651 -4.288 -9.243 1.00 0.00 C ATOM 752 CG2 ILE B 16 16.722 -3.356 -8.193 1.00 0.00 C ATOM 753 CD1 ILE B 16 14.062 -5.680 -9.091 1.00 0.00 C ATOM 0 H ILE B 16 13.205 -4.025 -6.836 1.00 0.00 H new ATOM 0 HA ILE B 16 15.498 -5.592 -7.128 1.00 0.00 H new ATOM 0 HB ILE B 16 14.716 -2.744 -7.824 1.00 0.00 H new ATOM 0 HG12 ILE B 16 13.863 -3.623 -9.598 1.00 0.00 H new ATOM 0 HG13 ILE B 16 15.412 -4.325 -10.023 1.00 0.00 H new ATOM 0 HG21 ILE B 16 16.842 -2.680 -9.040 1.00 0.00 H new ATOM 0 HG22 ILE B 16 17.116 -2.884 -7.293 1.00 0.00 H new ATOM 0 HG23 ILE B 16 17.268 -4.280 -8.386 1.00 0.00 H new ATOM 0 HD11 ILE B 16 13.651 -6.008 -10.046 1.00 0.00 H new ATOM 0 HD12 ILE B 16 14.842 -6.373 -8.775 1.00 0.00 H new ATOM 0 HD13 ILE B 16 13.269 -5.660 -8.343 1.00 0.00 H new ATOM 765 N THR B 17 15.646 -2.900 -5.253 1.00 0.00 N ATOM 766 CA THR B 17 16.300 -2.209 -4.184 1.00 0.00 C ATOM 767 C THR B 17 15.480 -2.369 -2.931 1.00 0.00 C ATOM 768 O THR B 17 15.622 -1.605 -1.975 1.00 0.00 O ATOM 769 CB THR B 17 16.509 -0.760 -4.585 1.00 0.00 C ATOM 770 OG1 THR B 17 15.433 0.061 -4.174 1.00 0.00 O ATOM 771 CG2 THR B 17 16.698 -0.657 -6.080 1.00 0.00 C ATOM 0 H THR B 17 14.819 -2.418 -5.607 1.00 0.00 H new ATOM 0 HA THR B 17 17.286 -2.626 -3.979 1.00 0.00 H new ATOM 0 HB THR B 17 17.407 -0.405 -4.080 1.00 0.00 H new ATOM 0 HG1 THR B 17 15.672 1.003 -4.304 1.00 0.00 H new ATOM 0 HG21 THR B 17 16.847 0.387 -6.357 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.570 -1.239 -6.377 1.00 0.00 H new ATOM 0 HG23 THR B 17 15.813 -1.044 -6.586 1.00 0.00 H new ATOM 779 N GLY B 18 14.579 -3.366 -3.007 1.00 0.00 N ATOM 780 CA GLY B 18 13.617 -3.655 -1.962 1.00 0.00 C ATOM 781 C GLY B 18 13.235 -2.418 -1.189 1.00 0.00 C ATOM 782 O GLY B 18 12.979 -2.476 0.014 1.00 0.00 O ATOM 0 H GLY B 18 14.509 -3.992 -3.809 1.00 0.00 H new ATOM 0 HA2 GLY B 18 12.724 -4.097 -2.403 1.00 0.00 H new ATOM 0 HA3 GLY B 18 14.035 -4.395 -1.279 1.00 0.00 H new ATOM 786 N LYS B 19 13.238 -1.279 -1.887 1.00 0.00 N ATOM 787 CA LYS B 19 12.928 -0.014 -1.273 1.00 0.00 C ATOM 788 C LYS B 19 11.445 0.259 -1.218 1.00 0.00 C ATOM 789 O LYS B 19 10.655 -0.332 -1.951 1.00 0.00 O ATOM 790 CB LYS B 19 13.608 1.089 -2.032 1.00 0.00 C ATOM 791 CG LYS B 19 14.926 1.451 -1.449 1.00 0.00 C ATOM 792 CD LYS B 19 15.461 2.759 -2.013 1.00 0.00 C ATOM 793 CE LYS B 19 16.426 3.432 -1.048 1.00 0.00 C ATOM 794 NZ LYS B 19 16.295 4.917 -1.070 1.00 0.00 N ATOM 0 H LYS B 19 13.455 -1.222 -2.882 1.00 0.00 H new ATOM 0 HA LYS B 19 13.289 -0.056 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS B 19 13.745 0.782 -3.069 1.00 0.00 H new ATOM 0 HB3 LYS B 19 12.965 1.969 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.832 1.535 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS B 19 15.641 0.652 -1.646 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.966 2.568 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.630 3.431 -2.225 1.00 0.00 H new ATOM 0 HE2 LYS B 19 16.241 3.067 -0.038 1.00 0.00 H new ATOM 0 HE3 LYS B 19 17.448 3.155 -1.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 16.970 5.335 -0.398 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 16.496 5.269 -2.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 15.327 5.184 -0.799 1.00 0.00 H new ATOM 808 N ARG B 20 11.079 1.170 -0.340 1.00 0.00 N ATOM 809 CA ARG B 20 9.692 1.545 -0.194 1.00 0.00 C ATOM 810 C ARG B 20 9.491 3.038 -0.151 1.00 0.00 C ATOM 811 O ARG B 20 10.254 3.778 0.476 1.00 0.00 O ATOM 812 CB ARG B 20 9.088 0.937 1.047 1.00 0.00 C ATOM 813 CG ARG B 20 9.566 1.572 2.346 1.00 0.00 C ATOM 814 CD ARG B 20 9.229 0.705 3.550 1.00 0.00 C ATOM 815 NE ARG B 20 7.787 0.635 3.796 1.00 0.00 N ATOM 816 CZ ARG B 20 7.071 1.616 4.353 1.00 0.00 C ATOM 817 NH1 ARG B 20 7.651 2.760 4.711 1.00 0.00 N ATOM 818 NH2 ARG B 20 5.768 1.453 4.552 1.00 0.00 N ATOM 0 H ARG B 20 11.722 1.662 0.280 1.00 0.00 H new ATOM 0 HA ARG B 20 9.188 1.158 -1.080 1.00 0.00 H new ATOM 0 HB2 ARG B 20 8.003 1.024 0.990 1.00 0.00 H new ATOM 0 HB3 ARG B 20 9.322 -0.127 1.068 1.00 0.00 H new ATOM 0 HG2 ARG B 20 10.644 1.729 2.300 1.00 0.00 H new ATOM 0 HG3 ARG B 20 9.106 2.553 2.463 1.00 0.00 H new ATOM 0 HD2 ARG B 20 9.618 -0.301 3.391 1.00 0.00 H new ATOM 0 HD3 ARG B 20 9.727 1.104 4.434 1.00 0.00 H new ATOM 0 HE ARG B 20 7.298 -0.218 3.525 1.00 0.00 H new ATOM 0 HH11 ARG B 20 8.651 2.894 4.561 1.00 0.00 H new ATOM 0 HH12 ARG B 20 7.095 3.503 5.135 1.00 0.00 H new ATOM 0 HH21 ARG B 20 5.316 0.580 4.280 1.00 0.00 H new ATOM 0 HH22 ARG B 20 5.220 2.201 4.977 1.00 0.00 H new ATOM 832 N GLN B 21 8.437 3.459 -0.818 1.00 0.00 N ATOM 833 CA GLN B 21 8.068 4.850 -0.877 1.00 0.00 C ATOM 834 C GLN B 21 6.592 4.953 -1.173 1.00 0.00 C ATOM 835 O GLN B 21 6.070 4.141 -1.922 1.00 0.00 O ATOM 836 CB GLN B 21 8.828 5.557 -1.970 1.00 0.00 C ATOM 837 CG GLN B 21 9.686 4.642 -2.789 1.00 0.00 C ATOM 838 CD GLN B 21 10.645 5.372 -3.688 1.00 0.00 C ATOM 839 OE1 GLN B 21 11.861 5.296 -3.512 1.00 0.00 O ATOM 840 NE2 GLN B 21 10.110 6.085 -4.654 1.00 0.00 N ATOM 0 H GLN B 21 7.812 2.840 -1.335 1.00 0.00 H new ATOM 0 HA GLN B 21 8.305 5.316 0.080 1.00 0.00 H new ATOM 0 HB2 GLN B 21 8.119 6.062 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN B 21 9.456 6.329 -1.525 1.00 0.00 H new ATOM 0 HG2 GLN B 21 10.249 3.990 -2.122 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.046 4.001 -3.396 1.00 0.00 H new ATOM 0 HE21 GLN B 21 9.096 6.119 -4.762 1.00 0.00 H new ATOM 0 HE22 GLN B 21 10.709 6.605 -5.296 1.00 0.00 H new ATOM 849 N PHE B 22 5.919 5.959 -0.653 1.00 0.00 N ATOM 850 CA PHE B 22 4.498 6.130 -0.958 1.00 0.00 C ATOM 851 C PHE B 22 4.357 6.816 -2.325 1.00 0.00 C ATOM 852 O PHE B 22 3.551 7.733 -2.501 1.00 0.00 O ATOM 853 CB PHE B 22 3.837 6.983 0.116 1.00 0.00 C ATOM 854 CG PHE B 22 3.868 6.364 1.486 1.00 0.00 C ATOM 855 CD1 PHE B 22 3.145 5.206 1.762 1.00 0.00 C ATOM 856 CD2 PHE B 22 4.629 6.933 2.504 1.00 0.00 C ATOM 857 CE1 PHE B 22 3.180 4.634 3.019 1.00 0.00 C ATOM 858 CE2 PHE B 22 4.665 6.363 3.762 1.00 0.00 C ATOM 859 CZ PHE B 22 3.941 5.214 4.016 1.00 0.00 C ATOM 0 H PHE B 22 6.315 6.662 -0.029 1.00 0.00 H new ATOM 0 HA PHE B 22 4.011 5.155 -0.984 1.00 0.00 H new ATOM 0 HB2 PHE B 22 4.334 7.952 0.154 1.00 0.00 H new ATOM 0 HB3 PHE B 22 2.800 7.167 -0.166 1.00 0.00 H new ATOM 0 HD1 PHE B 22 2.550 4.750 0.984 1.00 0.00 H new ATOM 0 HD2 PHE B 22 5.198 7.830 2.308 1.00 0.00 H new ATOM 0 HE1 PHE B 22 2.614 3.737 3.222 1.00 0.00 H new ATOM 0 HE2 PHE B 22 5.257 6.814 4.544 1.00 0.00 H new ATOM 0 HZ PHE B 22 3.970 4.767 4.999 1.00 0.00 H new ATOM 869 N GLU B 23 5.211 6.402 -3.260 1.00 0.00 N ATOM 870 CA GLU B 23 5.287 6.984 -4.583 1.00 0.00 C ATOM 871 C GLU B 23 5.658 6.007 -5.652 1.00 0.00 C ATOM 872 O GLU B 23 6.379 5.050 -5.410 1.00 0.00 O ATOM 873 CB GLU B 23 6.410 8.011 -4.567 1.00 0.00 C ATOM 874 CG GLU B 23 7.412 7.846 -5.711 1.00 0.00 C ATOM 875 CD GLU B 23 8.579 8.814 -5.629 1.00 0.00 C ATOM 876 OE1 GLU B 23 9.196 8.917 -4.546 1.00 0.00 O ATOM 877 OE2 GLU B 23 8.877 9.468 -6.650 1.00 0.00 O ATOM 0 H GLU B 23 5.875 5.642 -3.110 1.00 0.00 H new ATOM 0 HA GLU B 23 4.299 7.387 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU B 23 5.977 9.010 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU B 23 6.941 7.940 -3.618 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.794 6.825 -5.706 1.00 0.00 H new ATOM 0 HG3 GLU B 23 6.896 7.989 -6.661 1.00 0.00 H new ATOM 884 N ARG B 24 5.282 6.394 -6.860 1.00 0.00 N ATOM 885 CA ARG B 24 5.676 5.716 -8.059 1.00 0.00 C ATOM 886 C ARG B 24 6.894 6.521 -8.527 1.00 0.00 C ATOM 887 O ARG B 24 6.780 7.642 -9.027 1.00 0.00 O ATOM 888 CB ARG B 24 4.522 5.701 -9.036 1.00 0.00 C ATOM 889 CG ARG B 24 4.845 5.029 -10.330 1.00 0.00 C ATOM 890 CD ARG B 24 3.622 4.977 -11.225 1.00 0.00 C ATOM 891 NE ARG B 24 3.783 4.072 -12.363 1.00 0.00 N ATOM 892 CZ ARG B 24 3.607 2.746 -12.325 1.00 0.00 C ATOM 893 NH1 ARG B 24 3.242 2.140 -11.203 1.00 0.00 N ATOM 894 NH2 ARG B 24 3.788 2.024 -13.426 1.00 0.00 N ATOM 0 H ARG B 24 4.684 7.204 -7.025 1.00 0.00 H new ATOM 0 HA ARG B 24 5.935 4.664 -7.937 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.673 5.196 -8.575 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.212 6.727 -9.236 1.00 0.00 H new ATOM 0 HG2 ARG B 24 5.648 5.566 -10.834 1.00 0.00 H new ATOM 0 HG3 ARG B 24 5.207 4.018 -10.141 1.00 0.00 H new ATOM 0 HD2 ARG B 24 2.761 4.661 -10.636 1.00 0.00 H new ATOM 0 HD3 ARG B 24 3.406 5.980 -11.593 1.00 0.00 H new ATOM 0 HE ARG B 24 4.051 4.485 -13.257 1.00 0.00 H new ATOM 0 HH11 ARG B 24 3.092 2.686 -10.354 1.00 0.00 H new ATOM 0 HH12 ARG B 24 3.112 1.128 -11.189 1.00 0.00 H new ATOM 0 HH21 ARG B 24 4.060 2.481 -14.296 1.00 0.00 H new ATOM 0 HH22 ARG B 24 3.655 1.013 -13.401 1.00 0.00 H new ATOM 908 N PRO B 25 8.077 5.961 -8.248 1.00 0.00 N ATOM 909 CA PRO B 25 9.388 6.582 -8.490 1.00 0.00 C ATOM 910 C PRO B 25 9.611 7.095 -9.890 1.00 0.00 C ATOM 911 O PRO B 25 9.127 6.545 -10.881 1.00 0.00 O ATOM 912 CB PRO B 25 10.391 5.529 -8.093 1.00 0.00 C ATOM 913 CG PRO B 25 9.633 4.567 -7.257 1.00 0.00 C ATOM 914 CD PRO B 25 8.195 4.668 -7.613 1.00 0.00 C ATOM 0 HA PRO B 25 9.480 7.496 -7.904 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.816 5.040 -8.969 1.00 0.00 H new ATOM 0 HB3 PRO B 25 11.221 5.965 -7.537 1.00 0.00 H new ATOM 0 HG2 PRO B 25 9.995 3.552 -7.424 1.00 0.00 H new ATOM 0 HG3 PRO B 25 9.778 4.787 -6.199 1.00 0.00 H new ATOM 0 HD2 PRO B 25 7.894 3.865 -8.286 1.00 0.00 H new ATOM 0 HD3 PRO B 25 7.560 4.599 -6.730 1.00 0.00 H new ATOM 922 N SER B 26 10.361 8.185 -9.917 1.00 0.00 N ATOM 923 CA SER B 26 10.731 8.899 -11.126 1.00 0.00 C ATOM 924 C SER B 26 11.159 7.974 -12.203 1.00 0.00 C ATOM 925 O SER B 26 10.832 8.152 -13.379 1.00 0.00 O ATOM 926 CB SER B 26 11.858 9.840 -10.817 1.00 0.00 C ATOM 927 OG SER B 26 12.326 10.506 -11.979 1.00 0.00 O ATOM 0 H SER B 26 10.740 8.610 -9.071 1.00 0.00 H new ATOM 0 HA SER B 26 9.854 9.445 -11.475 1.00 0.00 H new ATOM 0 HB2 SER B 26 11.525 10.577 -10.086 1.00 0.00 H new ATOM 0 HB3 SER B 26 12.679 9.286 -10.361 1.00 0.00 H new ATOM 0 HG SER B 26 13.058 11.111 -11.737 1.00 0.00 H new ATOM 933 N ASP B 27 11.864 6.974 -11.760 1.00 0.00 N ATOM 934 CA ASP B 27 12.349 5.935 -12.623 1.00 0.00 C ATOM 935 C ASP B 27 13.515 6.390 -13.511 1.00 0.00 C ATOM 936 O ASP B 27 13.501 7.551 -13.975 1.00 0.00 O ATOM 937 CB ASP B 27 11.163 5.465 -13.422 1.00 0.00 C ATOM 938 CG ASP B 27 11.401 5.380 -14.920 1.00 0.00 C ATOM 939 OD1 ASP B 27 11.929 4.345 -15.378 1.00 0.00 O ATOM 940 OD2 ASP B 27 11.057 6.346 -15.633 1.00 0.00 O ATOM 941 OXT ASP B 27 14.433 5.574 -13.734 1.00 0.00 O ATOM 0 H ASP B 27 12.121 6.855 -10.780 1.00 0.00 H new ATOM 0 HA ASP B 27 12.771 5.118 -12.037 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.864 4.482 -13.059 1.00 0.00 H new ATOM 0 HB3 ASP B 27 10.327 6.140 -13.238 1.00 0.00 H new TER 946 ASP B 27