USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=13 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 19 LYS NZ :NH3+ -115:sc= 1.22 (180deg=-0.751) USER MOD Set 1.2: B 21 GLN : amide:sc= -0.615 K(o=0.61,f=-9.8!) USER MOD Set 2.1: B 14 ASN : amide:sc= -4.01! K(o=-9!,f=-9.8) USER MOD Set 2.2: B 17 THR OG1 : rot -142:sc= -4.99! USER MOD Set 3.1: A 19 LYS NZ :NH3+ -142:sc= -0.765 (180deg=-0.928) USER MOD Set 3.2: A 21 GLN : amide:sc= -0.0943 K(o=-0.86,f=-8.5!) USER MOD Set 4.1: A 14 ASN : amide:sc= -0.944 K(o=-2.3,f=-2.9) USER MOD Set 4.2: A 17 THR OG1 : rot -105:sc= -1.31 USER MOD Set 5.1: A 10 CYS SG : rot -113:sc= -10.5! USER MOD Set 5.2: B 10 CYS SG : rot -106:sc= -10.4! USER MOD Single : A 1 LYS N :NH3+ 137:sc= 0.025 (180deg=-0.348) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= -0.0511 (180deg=-0.482) USER MOD Single : A 12 TYR OH : rot 15:sc= -1.47 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -109:sc= 0.0622 (180deg=-0.0178) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot 15:sc= -1.01 USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.355 5.448 -15.777 1.00 0.00 N ATOM 2 CA LYS A 1 5.392 5.264 -14.298 1.00 0.00 C ATOM 3 C LYS A 1 6.799 4.911 -13.813 1.00 0.00 C ATOM 4 O LYS A 1 7.701 4.680 -14.621 1.00 0.00 O ATOM 5 CB LYS A 1 4.403 4.156 -13.907 1.00 0.00 C ATOM 6 CG LYS A 1 4.718 2.799 -14.518 1.00 0.00 C ATOM 7 CD LYS A 1 3.503 2.210 -15.216 1.00 0.00 C ATOM 8 CE LYS A 1 3.697 0.741 -15.537 1.00 0.00 C ATOM 9 NZ LYS A 1 4.785 0.522 -16.533 1.00 0.00 N ATOM 0 H1 LYS A 1 4.508 4.984 -16.163 1.00 0.00 H new ATOM 0 H2 LYS A 1 5.325 6.463 -16.000 1.00 0.00 H new ATOM 0 H3 LYS A 1 6.205 5.025 -16.201 1.00 0.00 H new ATOM 0 HA LYS A 1 5.108 6.202 -13.822 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.392 4.060 -12.821 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.400 4.455 -14.211 1.00 0.00 H new ATOM 0 HG2 LYS A 1 5.536 2.900 -15.231 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.058 2.117 -13.738 1.00 0.00 H new ATOM 0 HD2 LYS A 1 2.625 2.331 -14.582 1.00 0.00 H new ATOM 0 HD3 LYS A 1 3.310 2.761 -16.136 1.00 0.00 H new ATOM 0 HE2 LYS A 1 3.930 0.198 -14.621 1.00 0.00 H new ATOM 0 HE3 LYS A 1 2.765 0.329 -15.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.883 -0.496 -16.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.551 1.018 -17.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.681 0.891 -16.155 1.00 0.00 H new ATOM 25 N LEU A 2 6.976 4.895 -12.487 1.00 0.00 N ATOM 26 CA LEU A 2 8.254 4.595 -11.859 1.00 0.00 C ATOM 27 C LEU A 2 9.066 3.444 -12.521 1.00 0.00 C ATOM 28 O LEU A 2 8.575 2.642 -13.318 1.00 0.00 O ATOM 29 CB LEU A 2 8.053 4.343 -10.362 1.00 0.00 C ATOM 30 CG LEU A 2 7.574 2.970 -10.021 1.00 0.00 C ATOM 31 CD1 LEU A 2 7.044 2.914 -8.642 1.00 0.00 C ATOM 32 CD2 LEU A 2 6.500 2.595 -10.940 1.00 0.00 C ATOM 0 H LEU A 2 6.228 5.092 -11.822 1.00 0.00 H new ATOM 0 HA LEU A 2 8.872 5.480 -12.012 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.997 4.523 -9.847 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.337 5.069 -9.978 1.00 0.00 H new ATOM 0 HG LEU A 2 8.419 2.286 -10.104 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.703 1.902 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.829 3.192 -7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.208 3.607 -8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.146 1.593 -10.696 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.677 3.304 -10.846 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.876 2.608 -11.963 1.00 0.00 H new ATOM 44 N PRO A 3 10.346 3.421 -12.135 1.00 0.00 N ATOM 45 CA PRO A 3 11.414 2.484 -12.557 1.00 0.00 C ATOM 46 C PRO A 3 11.094 1.013 -12.441 1.00 0.00 C ATOM 47 O PRO A 3 10.148 0.603 -11.776 1.00 0.00 O ATOM 48 CB PRO A 3 12.540 2.783 -11.584 1.00 0.00 C ATOM 49 CG PRO A 3 12.302 4.173 -11.152 1.00 0.00 C ATOM 50 CD PRO A 3 10.832 4.386 -11.189 1.00 0.00 C ATOM 0 HA PRO A 3 11.616 2.637 -13.617 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.524 2.097 -10.737 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.514 2.678 -12.061 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.692 4.338 -10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.812 4.876 -11.811 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.386 4.236 -10.206 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.587 5.402 -11.499 1.00 0.00 H new ATOM 58 N PRO A 4 11.943 0.203 -13.084 1.00 0.00 N ATOM 59 CA PRO A 4 11.865 -1.248 -13.080 1.00 0.00 C ATOM 60 C PRO A 4 11.852 -1.830 -11.707 1.00 0.00 C ATOM 61 O PRO A 4 12.327 -1.227 -10.743 1.00 0.00 O ATOM 62 CB PRO A 4 13.105 -1.627 -13.816 1.00 0.00 C ATOM 63 CG PRO A 4 13.259 -0.522 -14.739 1.00 0.00 C ATOM 64 CD PRO A 4 13.094 0.628 -13.879 1.00 0.00 C ATOM 0 HA PRO A 4 10.943 -1.620 -13.526 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.962 -1.723 -13.149 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.996 -2.579 -14.335 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.236 -0.530 -15.223 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.511 -0.547 -15.531 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.975 0.817 -13.265 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.896 1.541 -14.441 1.00 0.00 H new ATOM 72 N GLY A 5 11.279 -3.006 -11.631 1.00 0.00 N ATOM 73 CA GLY A 5 11.164 -3.681 -10.378 1.00 0.00 C ATOM 74 C GLY A 5 10.093 -3.085 -9.473 1.00 0.00 C ATOM 75 O GLY A 5 9.572 -3.773 -8.597 1.00 0.00 O ATOM 0 H GLY A 5 10.887 -3.509 -12.427 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.936 -4.732 -10.558 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.125 -3.647 -9.865 1.00 0.00 H new ATOM 79 N TRP A 6 9.763 -1.800 -9.679 1.00 0.00 N ATOM 80 CA TRP A 6 8.770 -1.128 -8.876 1.00 0.00 C ATOM 81 C TRP A 6 7.376 -1.578 -9.234 1.00 0.00 C ATOM 82 O TRP A 6 7.085 -1.912 -10.385 1.00 0.00 O ATOM 83 CB TRP A 6 8.814 0.377 -9.106 1.00 0.00 C ATOM 84 CG TRP A 6 9.775 1.134 -8.291 1.00 0.00 C ATOM 85 CD1 TRP A 6 10.719 1.932 -8.783 1.00 0.00 C ATOM 86 CD2 TRP A 6 9.858 1.235 -6.889 1.00 0.00 C ATOM 87 NE1 TRP A 6 11.487 2.438 -7.783 1.00 0.00 N ATOM 88 CE2 TRP A 6 10.962 2.030 -6.595 1.00 0.00 C ATOM 89 CE3 TRP A 6 9.136 0.710 -5.859 1.00 0.00 C ATOM 90 CZ2 TRP A 6 11.343 2.300 -5.299 1.00 0.00 C ATOM 91 CZ3 TRP A 6 9.502 0.983 -4.585 1.00 0.00 C ATOM 92 CH2 TRP A 6 10.586 1.754 -4.310 1.00 0.00 C ATOM 0 H TRP A 6 10.181 -1.216 -10.403 1.00 0.00 H new ATOM 0 HA TRP A 6 8.998 -1.374 -7.839 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.042 0.556 -10.157 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.818 0.780 -8.923 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.856 2.148 -9.832 1.00 0.00 H new ATOM 0 HE1 TRP A 6 12.314 3.023 -7.902 1.00 0.00 H new ATOM 0 HE3 TRP A 6 8.280 0.082 -6.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.202 2.916 -5.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.920 0.579 -3.770 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.853 1.938 -3.280 1.00 0.00 H new ATOM 103 N GLU A 7 6.506 -1.510 -8.253 1.00 0.00 N ATOM 104 CA GLU A 7 5.113 -1.833 -8.458 1.00 0.00 C ATOM 105 C GLU A 7 4.274 -1.255 -7.346 1.00 0.00 C ATOM 106 O GLU A 7 4.255 -1.766 -6.224 1.00 0.00 O ATOM 107 CB GLU A 7 4.862 -3.331 -8.586 1.00 0.00 C ATOM 108 CG GLU A 7 5.569 -4.186 -7.540 1.00 0.00 C ATOM 109 CD GLU A 7 5.147 -5.643 -7.593 1.00 0.00 C ATOM 110 OE1 GLU A 7 4.013 -5.950 -7.168 1.00 0.00 O ATOM 111 OE2 GLU A 7 5.954 -6.477 -8.054 1.00 0.00 O ATOM 0 H GLU A 7 6.740 -1.232 -7.300 1.00 0.00 H new ATOM 0 HA GLU A 7 4.822 -1.384 -9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.789 -3.513 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.180 -3.656 -9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.647 -4.118 -7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.359 -3.787 -6.548 1.00 0.00 H new ATOM 118 N LYS A 8 3.587 -0.176 -7.678 1.00 0.00 N ATOM 119 CA LYS A 8 2.728 0.508 -6.720 1.00 0.00 C ATOM 120 C LYS A 8 1.812 -0.521 -6.040 1.00 0.00 C ATOM 121 O LYS A 8 1.125 -1.285 -6.722 1.00 0.00 O ATOM 122 CB LYS A 8 1.841 1.569 -7.426 1.00 0.00 C ATOM 123 CG LYS A 8 1.192 2.564 -6.461 1.00 0.00 C ATOM 124 CD LYS A 8 -0.314 2.637 -6.667 1.00 0.00 C ATOM 125 CE LYS A 8 -0.674 3.460 -7.896 1.00 0.00 C ATOM 126 NZ LYS A 8 -0.754 2.623 -9.127 1.00 0.00 N ATOM 0 H LYS A 8 3.606 0.248 -8.605 1.00 0.00 H new ATOM 0 HA LYS A 8 3.361 1.007 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.448 2.117 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.059 1.060 -7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.406 2.269 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.629 3.552 -6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.716 1.629 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.781 3.076 -5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.631 3.956 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.071 4.243 -8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.270 3.141 -9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.206 2.406 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.254 1.737 -8.912 1.00 0.00 H new ATOM 140 N ARG A 9 1.807 -0.546 -4.712 1.00 0.00 N ATOM 141 CA ARG A 9 0.975 -1.495 -3.966 1.00 0.00 C ATOM 142 C ARG A 9 0.099 -0.772 -2.948 1.00 0.00 C ATOM 143 O ARG A 9 0.545 0.183 -2.321 1.00 0.00 O ATOM 144 CB ARG A 9 1.862 -2.518 -3.252 1.00 0.00 C ATOM 145 CG ARG A 9 1.258 -3.912 -3.184 1.00 0.00 C ATOM 146 CD ARG A 9 1.747 -4.794 -4.324 1.00 0.00 C ATOM 147 NE ARG A 9 3.169 -4.856 -4.407 1.00 0.00 N ATOM 148 CZ ARG A 9 3.907 -5.701 -3.719 1.00 0.00 C ATOM 149 NH1 ARG A 9 3.415 -6.402 -2.700 1.00 0.00 N ATOM 150 NH2 ARG A 9 5.145 -5.821 -4.075 1.00 0.00 N ATOM 0 H ARG A 9 2.366 0.076 -4.128 1.00 0.00 H new ATOM 0 HA ARG A 9 0.326 -2.009 -4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.822 -2.573 -3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.061 -2.168 -2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.515 -4.374 -2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.171 -3.840 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.352 -5.801 -4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.349 -4.416 -5.266 1.00 0.00 H new ATOM 0 HE ARG A 9 3.642 -4.208 -5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.437 -6.293 -2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.016 -7.048 -2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.506 -5.274 -4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.760 -6.463 -3.574 1.00 0.00 H new ATOM 164 N CYS A 10 -1.148 -1.229 -2.779 1.00 0.00 N ATOM 165 CA CYS A 10 -2.054 -0.597 -1.816 1.00 0.00 C ATOM 166 C CYS A 10 -2.792 -1.611 -0.953 1.00 0.00 C ATOM 167 O CYS A 10 -3.539 -2.453 -1.457 1.00 0.00 O ATOM 168 CB CYS A 10 -3.081 0.311 -2.509 1.00 0.00 C ATOM 169 SG CYS A 10 -2.383 1.422 -3.773 1.00 0.00 S ATOM 0 H CYS A 10 -1.546 -2.019 -3.287 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.416 0.007 -1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.843 -0.314 -2.975 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.582 0.914 -1.752 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.496 2.655 -3.377 1.00 0.00 H new ATOM 174 N PHE A 11 -2.604 -1.486 0.360 1.00 0.00 N ATOM 175 CA PHE A 11 -3.278 -2.346 1.318 1.00 0.00 C ATOM 176 C PHE A 11 -4.008 -1.494 2.358 1.00 0.00 C ATOM 177 O PHE A 11 -3.442 -0.544 2.903 1.00 0.00 O ATOM 178 CB PHE A 11 -2.297 -3.299 2.031 1.00 0.00 C ATOM 179 CG PHE A 11 -1.378 -2.618 3.008 1.00 0.00 C ATOM 180 CD1 PHE A 11 -1.834 -2.275 4.272 1.00 0.00 C ATOM 181 CD2 PHE A 11 -0.067 -2.330 2.671 1.00 0.00 C ATOM 182 CE1 PHE A 11 -0.998 -1.656 5.181 1.00 0.00 C ATOM 183 CE2 PHE A 11 0.774 -1.709 3.577 1.00 0.00 C ATOM 184 CZ PHE A 11 0.308 -1.372 4.832 1.00 0.00 C ATOM 0 H PHE A 11 -1.986 -0.792 0.781 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.992 -2.955 0.764 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.868 -4.063 2.558 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.696 -3.812 1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.855 -2.494 4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.303 -2.593 1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.365 -1.395 6.163 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.795 -1.488 3.303 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.964 -0.887 5.540 1.00 0.00 H new ATOM 194 N TYR A 12 -5.247 -1.857 2.655 1.00 0.00 N ATOM 195 CA TYR A 12 -6.023 -1.156 3.663 1.00 0.00 C ATOM 196 C TYR A 12 -5.539 -1.604 5.029 1.00 0.00 C ATOM 197 O TYR A 12 -5.275 -2.789 5.219 1.00 0.00 O ATOM 198 CB TYR A 12 -7.515 -1.461 3.520 1.00 0.00 C ATOM 199 CG TYR A 12 -8.220 -0.418 2.684 1.00 0.00 C ATOM 200 CD1 TYR A 12 -8.703 0.729 3.261 1.00 0.00 C ATOM 201 CD2 TYR A 12 -8.426 -0.589 1.323 1.00 0.00 C ATOM 202 CE1 TYR A 12 -9.372 1.669 2.542 1.00 0.00 C ATOM 203 CE2 TYR A 12 -9.087 0.346 0.577 1.00 0.00 C ATOM 204 CZ TYR A 12 -9.570 1.486 1.189 1.00 0.00 C ATOM 205 OH TYR A 12 -10.247 2.431 0.454 1.00 0.00 O ATOM 0 H TYR A 12 -5.736 -2.634 2.211 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.889 -0.081 3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.644 -2.442 3.063 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.974 -1.507 4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.547 0.890 4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.055 -1.482 0.842 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.748 2.557 3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.231 0.195 -0.483 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.311 3.262 0.969 1.00 0.00 H new ATOM 215 N PHE A 13 -5.429 -0.687 5.980 1.00 0.00 N ATOM 216 CA PHE A 13 -4.993 -1.068 7.321 1.00 0.00 C ATOM 217 C PHE A 13 -6.058 -0.713 8.320 1.00 0.00 C ATOM 218 O PHE A 13 -6.421 0.453 8.473 1.00 0.00 O ATOM 219 CB PHE A 13 -3.679 -0.412 7.712 1.00 0.00 C ATOM 220 CG PHE A 13 -3.016 -1.111 8.865 1.00 0.00 C ATOM 221 CD1 PHE A 13 -2.316 -2.275 8.646 1.00 0.00 C ATOM 222 CD2 PHE A 13 -3.076 -0.603 10.157 1.00 0.00 C ATOM 223 CE1 PHE A 13 -1.687 -2.927 9.676 1.00 0.00 C ATOM 224 CE2 PHE A 13 -2.443 -1.241 11.198 1.00 0.00 C ATOM 225 CZ PHE A 13 -1.744 -2.410 10.960 1.00 0.00 C ATOM 0 H PHE A 13 -5.630 0.305 5.856 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.828 -2.145 7.316 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.006 -0.411 6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.860 0.630 7.976 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.261 -2.682 7.647 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.628 0.306 10.346 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.147 -3.843 9.486 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.492 -0.831 12.196 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.245 -2.918 11.772 1.00 0.00 H new ATOM 235 N ASN A 14 -6.554 -1.730 9.000 1.00 0.00 N ATOM 236 CA ASN A 14 -7.583 -1.532 9.984 1.00 0.00 C ATOM 237 C ASN A 14 -6.917 -1.364 11.326 1.00 0.00 C ATOM 238 O ASN A 14 -6.961 -2.263 12.148 1.00 0.00 O ATOM 239 CB ASN A 14 -8.576 -2.708 10.007 1.00 0.00 C ATOM 240 CG ASN A 14 -9.843 -2.416 10.787 1.00 0.00 C ATOM 241 OD1 ASN A 14 -10.322 -3.249 11.553 1.00 0.00 O ATOM 242 ND2 ASN A 14 -10.392 -1.237 10.591 1.00 0.00 N ATOM 0 H ASN A 14 -6.256 -2.699 8.884 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.160 -0.642 9.735 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.842 -2.969 8.983 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.085 -3.579 10.440 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.249 -0.985 11.084 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.961 -0.575 9.946 1.00 0.00 H new ATOM 249 N ARG A 15 -6.248 -0.225 11.508 1.00 0.00 N ATOM 250 CA ARG A 15 -5.497 0.058 12.736 1.00 0.00 C ATOM 251 C ARG A 15 -6.224 -0.386 14.013 1.00 0.00 C ATOM 252 O ARG A 15 -5.561 -0.637 15.022 1.00 0.00 O ATOM 253 CB ARG A 15 -5.056 1.529 12.811 1.00 0.00 C ATOM 254 CG ARG A 15 -5.360 2.211 14.136 1.00 0.00 C ATOM 255 CD ARG A 15 -4.885 3.660 14.139 1.00 0.00 C ATOM 256 NE ARG A 15 -5.532 4.453 13.093 1.00 0.00 N ATOM 257 CZ ARG A 15 -6.792 4.894 13.154 1.00 0.00 C ATOM 258 NH1 ARG A 15 -7.551 4.634 14.216 1.00 0.00 N ATOM 259 NH2 ARG A 15 -7.295 5.600 12.146 1.00 0.00 N ATOM 0 H ARG A 15 -6.210 0.523 10.816 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.597 -0.554 12.680 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.983 1.584 12.626 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.546 2.083 12.010 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.433 2.178 14.326 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.876 1.666 14.947 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.091 4.107 15.112 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.804 3.687 13.998 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.986 4.684 12.263 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.172 4.093 14.994 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.511 4.975 14.252 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.720 5.804 11.329 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.256 5.938 12.190 1.00 0.00 H new ATOM 273 N ILE A 16 -7.557 -0.557 13.982 1.00 0.00 N ATOM 274 CA ILE A 16 -8.253 -1.036 15.115 1.00 0.00 C ATOM 275 C ILE A 16 -7.800 -2.444 15.394 1.00 0.00 C ATOM 276 O ILE A 16 -7.406 -2.807 16.504 1.00 0.00 O ATOM 277 CB ILE A 16 -9.723 -1.064 14.837 1.00 0.00 C ATOM 278 CG1 ILE A 16 -10.304 0.343 14.857 1.00 0.00 C ATOM 279 CG2 ILE A 16 -10.337 -1.948 15.869 1.00 0.00 C ATOM 280 CD1 ILE A 16 -9.344 1.476 15.179 1.00 0.00 C ATOM 0 H ILE A 16 -8.144 -0.362 13.171 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.053 -0.384 15.965 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.934 -1.455 13.842 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -10.748 0.541 13.882 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.114 0.366 15.587 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.414 -2.001 15.708 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.909 -2.948 15.793 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.138 -1.542 16.861 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.881 2.424 15.161 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.916 1.320 16.169 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.545 1.498 14.438 1.00 0.00 H new ATOM 292 N THR A 17 -7.857 -3.210 14.326 1.00 0.00 N ATOM 293 CA THR A 17 -7.466 -4.583 14.319 1.00 0.00 C ATOM 294 C THR A 17 -6.110 -4.723 13.673 1.00 0.00 C ATOM 295 O THR A 17 -5.721 -5.810 13.239 1.00 0.00 O ATOM 296 CB THR A 17 -8.548 -5.356 13.603 1.00 0.00 C ATOM 297 OG1 THR A 17 -8.455 -5.197 12.200 1.00 0.00 O ATOM 298 CG2 THR A 17 -9.891 -4.871 14.076 1.00 0.00 C ATOM 0 H THR A 17 -8.187 -2.876 13.420 1.00 0.00 H new ATOM 0 HA THR A 17 -7.363 -4.984 15.327 1.00 0.00 H new ATOM 0 HB THR A 17 -8.424 -6.415 13.830 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.159 -4.589 11.892 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.679 -5.424 13.564 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.977 -5.029 15.151 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.992 -3.808 13.856 1.00 0.00 H new ATOM 306 N GLY A 18 -5.441 -3.560 13.563 1.00 0.00 N ATOM 307 CA GLY A 18 -4.161 -3.439 12.879 1.00 0.00 C ATOM 308 C GLY A 18 -4.073 -4.375 11.690 1.00 0.00 C ATOM 309 O GLY A 18 -2.998 -4.837 11.308 1.00 0.00 O ATOM 0 H GLY A 18 -5.783 -2.681 13.951 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.022 -2.411 12.544 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.353 -3.659 13.577 1.00 0.00 H new ATOM 313 N LYS A 19 -5.246 -4.673 11.140 1.00 0.00 N ATOM 314 CA LYS A 19 -5.393 -5.567 10.016 1.00 0.00 C ATOM 315 C LYS A 19 -4.960 -4.954 8.711 1.00 0.00 C ATOM 316 O LYS A 19 -4.925 -3.739 8.560 1.00 0.00 O ATOM 317 CB LYS A 19 -6.836 -5.954 9.869 1.00 0.00 C ATOM 318 CG LYS A 19 -7.165 -7.243 10.547 1.00 0.00 C ATOM 319 CD LYS A 19 -8.480 -7.821 10.054 1.00 0.00 C ATOM 320 CE LYS A 19 -8.260 -8.805 8.915 1.00 0.00 C ATOM 321 NZ LYS A 19 -7.726 -8.137 7.694 1.00 0.00 N ATOM 0 H LYS A 19 -6.130 -4.290 11.474 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.754 -6.425 10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.463 -5.163 10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.079 -6.034 8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.364 -7.961 10.371 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.219 -7.084 11.624 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.990 -8.322 10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.131 -7.014 9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.566 -9.582 9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.202 -9.299 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.157 -8.563 6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.954 -7.123 7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.694 -8.258 7.655 1.00 0.00 H new ATOM 335 N ARG A 20 -4.681 -5.822 7.756 1.00 0.00 N ATOM 336 CA ARG A 20 -4.311 -5.387 6.431 1.00 0.00 C ATOM 337 C ARG A 20 -5.017 -6.174 5.355 1.00 0.00 C ATOM 338 O ARG A 20 -5.170 -7.395 5.435 1.00 0.00 O ATOM 339 CB ARG A 20 -2.821 -5.443 6.211 1.00 0.00 C ATOM 340 CG ARG A 20 -2.270 -6.848 6.010 1.00 0.00 C ATOM 341 CD ARG A 20 -0.814 -6.940 6.441 1.00 0.00 C ATOM 342 NE ARG A 20 -0.278 -8.295 6.297 1.00 0.00 N ATOM 343 CZ ARG A 20 1.025 -8.590 6.325 1.00 0.00 C ATOM 344 NH1 ARG A 20 1.933 -7.630 6.488 1.00 0.00 N ATOM 345 NH2 ARG A 20 1.422 -9.851 6.190 1.00 0.00 N ATOM 0 H ARG A 20 -4.705 -6.834 7.878 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.630 -4.347 6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.571 -4.839 5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.322 -4.988 7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.866 -7.559 6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.359 -7.129 4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.216 -6.250 5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.724 -6.624 7.480 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.940 -9.060 6.167 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.636 -6.660 6.593 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.925 -7.865 6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.732 -10.592 6.065 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.416 -10.078 6.211 1.00 0.00 H new ATOM 359 N GLN A 21 -5.453 -5.436 4.358 1.00 0.00 N ATOM 360 CA GLN A 21 -6.165 -5.982 3.234 1.00 0.00 C ATOM 361 C GLN A 21 -5.678 -5.324 1.952 1.00 0.00 C ATOM 362 O GLN A 21 -5.071 -4.267 1.998 1.00 0.00 O ATOM 363 CB GLN A 21 -7.621 -5.636 3.392 1.00 0.00 C ATOM 364 CG GLN A 21 -8.158 -5.777 4.784 1.00 0.00 C ATOM 365 CD GLN A 21 -9.353 -6.681 4.878 1.00 0.00 C ATOM 366 OE1 GLN A 21 -9.277 -7.779 5.427 1.00 0.00 O ATOM 367 NE2 GLN A 21 -10.466 -6.235 4.337 1.00 0.00 N ATOM 0 H GLN A 21 -5.319 -4.426 4.309 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.008 -7.060 3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.772 -4.608 3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -8.205 -6.273 2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.370 -6.162 5.431 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.428 -4.791 5.162 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.485 -5.318 3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.310 -6.807 4.363 1.00 0.00 H new ATOM 376 N PHE A 22 -6.026 -5.891 0.814 1.00 0.00 N ATOM 377 CA PHE A 22 -5.703 -5.271 -0.470 1.00 0.00 C ATOM 378 C PHE A 22 -7.029 -4.768 -1.069 1.00 0.00 C ATOM 379 O PHE A 22 -7.241 -4.761 -2.284 1.00 0.00 O ATOM 380 CB PHE A 22 -5.037 -6.278 -1.399 1.00 0.00 C ATOM 381 CG PHE A 22 -3.536 -6.205 -1.382 1.00 0.00 C ATOM 382 CD1 PHE A 22 -2.850 -6.105 -0.184 1.00 0.00 C ATOM 383 CD2 PHE A 22 -2.809 -6.234 -2.560 1.00 0.00 C ATOM 384 CE1 PHE A 22 -1.478 -6.035 -0.162 1.00 0.00 C ATOM 385 CE2 PHE A 22 -1.438 -6.164 -2.542 1.00 0.00 C ATOM 386 CZ PHE A 22 -0.776 -6.065 -1.342 1.00 0.00 C ATOM 0 H PHE A 22 -6.530 -6.775 0.745 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.002 -4.447 -0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.348 -7.284 -1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.390 -6.111 -2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.400 -6.082 0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.327 -6.313 -3.505 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.954 -5.957 0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.882 -6.187 -3.468 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.303 -6.010 -1.327 1.00 0.00 H new ATOM 396 N GLU A 23 -7.934 -4.436 -0.145 1.00 0.00 N ATOM 397 CA GLU A 23 -9.300 -4.016 -0.412 1.00 0.00 C ATOM 398 C GLU A 23 -9.792 -3.024 0.584 1.00 0.00 C ATOM 399 O GLU A 23 -9.293 -2.969 1.698 1.00 0.00 O ATOM 400 CB GLU A 23 -10.189 -5.245 -0.228 1.00 0.00 C ATOM 401 CG GLU A 23 -11.316 -5.063 0.800 1.00 0.00 C ATOM 402 CD GLU A 23 -12.123 -6.329 1.023 1.00 0.00 C ATOM 403 OE1 GLU A 23 -12.667 -6.870 0.037 1.00 0.00 O ATOM 404 OE2 GLU A 23 -12.218 -6.778 2.184 1.00 0.00 O ATOM 0 H GLU A 23 -7.719 -4.456 0.852 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.328 -3.578 -1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.630 -5.507 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.567 -6.086 0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.887 -4.740 1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.982 -4.268 0.464 1.00 0.00 H new ATOM 411 N ARG A 24 -10.877 -2.362 0.201 1.00 0.00 N ATOM 412 CA ARG A 24 -11.586 -1.495 1.089 1.00 0.00 C ATOM 413 C ARG A 24 -12.698 -2.361 1.685 1.00 0.00 C ATOM 414 O ARG A 24 -13.717 -2.640 1.051 1.00 0.00 O ATOM 415 CB ARG A 24 -12.103 -0.275 0.373 1.00 0.00 C ATOM 416 CG ARG A 24 -12.944 0.582 1.268 1.00 0.00 C ATOM 417 CD ARG A 24 -13.929 1.417 0.468 1.00 0.00 C ATOM 418 NE ARG A 24 -13.541 2.822 0.371 1.00 0.00 N ATOM 419 CZ ARG A 24 -12.754 3.325 -0.585 1.00 0.00 C ATOM 420 NH1 ARG A 24 -12.248 2.540 -1.534 1.00 0.00 N ATOM 421 NH2 ARG A 24 -12.475 4.625 -0.595 1.00 0.00 N ATOM 0 H ARG A 24 -11.277 -2.421 -0.735 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.948 -1.092 1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.263 0.308 -0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.691 -0.583 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.487 -0.048 1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.302 1.238 1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -14.019 1.001 -0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.914 1.349 0.930 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.895 3.463 1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.460 1.542 -1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.649 2.936 -2.258 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.861 5.235 0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.875 5.012 -1.323 1.00 0.00 H new ATOM 435 N PRO A 25 -12.421 -2.861 2.894 1.00 0.00 N ATOM 436 CA PRO A 25 -13.260 -3.794 3.649 1.00 0.00 C ATOM 437 C PRO A 25 -14.750 -3.586 3.499 1.00 0.00 C ATOM 438 O PRO A 25 -15.255 -2.468 3.373 1.00 0.00 O ATOM 439 CB PRO A 25 -12.798 -3.634 5.063 1.00 0.00 C ATOM 440 CG PRO A 25 -11.420 -3.068 4.973 1.00 0.00 C ATOM 441 CD PRO A 25 -11.187 -2.575 3.592 1.00 0.00 C ATOM 0 HA PRO A 25 -13.141 -4.809 3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.459 -2.969 5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.796 -4.591 5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.300 -2.254 5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.683 -3.829 5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.964 -1.508 3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.341 -3.081 3.127 1.00 0.00 H new ATOM 449 N SER A 26 -15.419 -4.721 3.511 1.00 0.00 N ATOM 450 CA SER A 26 -16.853 -4.835 3.376 1.00 0.00 C ATOM 451 C SER A 26 -17.580 -4.023 4.379 1.00 0.00 C ATOM 452 O SER A 26 -18.646 -3.469 4.106 1.00 0.00 O ATOM 453 CB SER A 26 -17.235 -6.263 3.562 1.00 0.00 C ATOM 454 OG SER A 26 -16.580 -7.109 2.632 1.00 0.00 O ATOM 0 H SER A 26 -14.958 -5.624 3.620 1.00 0.00 H new ATOM 0 HA SER A 26 -17.124 -4.469 2.386 1.00 0.00 H new ATOM 0 HB2 SER A 26 -16.987 -6.576 4.576 1.00 0.00 H new ATOM 0 HB3 SER A 26 -18.314 -6.368 3.451 1.00 0.00 H new ATOM 0 HG SER A 26 -16.854 -8.037 2.785 1.00 0.00 H new ATOM 460 N ASP A 27 -16.972 -3.959 5.528 1.00 0.00 N ATOM 461 CA ASP A 27 -17.495 -3.199 6.632 1.00 0.00 C ATOM 462 C ASP A 27 -18.658 -3.907 7.339 1.00 0.00 C ATOM 463 O ASP A 27 -18.715 -3.839 8.584 1.00 0.00 O ATOM 464 CB ASP A 27 -17.891 -1.853 6.079 1.00 0.00 C ATOM 465 CG ASP A 27 -19.318 -1.432 6.396 1.00 0.00 C ATOM 466 OD1 ASP A 27 -19.548 -0.910 7.508 1.00 0.00 O ATOM 467 OD2 ASP A 27 -20.201 -1.620 5.534 1.00 0.00 O ATOM 468 OXT ASP A 27 -19.498 -4.521 6.645 1.00 0.00 O ATOM 0 H ASP A 27 -16.093 -4.435 5.729 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.738 -3.087 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -17.208 -1.099 6.471 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.763 -1.868 4.997 1.00 0.00 H new TER 473 ASP A 27 ATOM 474 N LYS B 1 -16.695 5.462 2.941 1.00 0.00 N ATOM 475 CA LYS B 1 -15.575 4.486 2.816 1.00 0.00 C ATOM 476 C LYS B 1 -15.580 3.477 3.966 1.00 0.00 C ATOM 477 O LYS B 1 -16.344 3.620 4.922 1.00 0.00 O ATOM 478 CB LYS B 1 -14.248 5.258 2.790 1.00 0.00 C ATOM 479 CG LYS B 1 -13.969 6.058 4.056 1.00 0.00 C ATOM 480 CD LYS B 1 -14.011 7.556 3.791 1.00 0.00 C ATOM 481 CE LYS B 1 -12.977 8.303 4.613 1.00 0.00 C ATOM 482 NZ LYS B 1 -13.228 8.189 6.079 1.00 0.00 N ATOM 0 H1 LYS B 1 -17.406 5.271 2.206 1.00 0.00 H new ATOM 0 H2 LYS B 1 -17.134 5.369 3.879 1.00 0.00 H new ATOM 0 H3 LYS B 1 -16.328 6.428 2.825 1.00 0.00 H new ATOM 0 HA LYS B 1 -15.699 3.923 1.891 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -13.432 4.552 2.632 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -14.252 5.937 1.937 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -14.704 5.802 4.819 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -12.991 5.785 4.452 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -13.837 7.743 2.731 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -15.005 7.938 4.023 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -11.985 7.913 4.385 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -12.980 9.355 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -12.496 8.715 6.598 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -14.163 8.584 6.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -13.199 7.188 6.359 1.00 0.00 H new ATOM 498 N LEU B 2 -14.732 2.447 3.848 1.00 0.00 N ATOM 499 CA LEU B 2 -14.619 1.391 4.846 1.00 0.00 C ATOM 500 C LEU B 2 -14.678 1.875 6.324 1.00 0.00 C ATOM 501 O LEU B 2 -14.551 3.056 6.652 1.00 0.00 O ATOM 502 CB LEU B 2 -13.363 0.554 4.577 1.00 0.00 C ATOM 503 CG LEU B 2 -12.092 1.148 5.094 1.00 0.00 C ATOM 504 CD1 LEU B 2 -10.907 0.526 4.457 1.00 0.00 C ATOM 505 CD2 LEU B 2 -12.078 2.588 4.800 1.00 0.00 C ATOM 0 H LEU B 2 -14.105 2.328 3.052 1.00 0.00 H new ATOM 0 HA LEU B 2 -15.509 0.772 4.733 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -13.496 -0.430 5.025 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -13.267 0.404 3.502 1.00 0.00 H new ATOM 0 HG LEU B 2 -12.047 0.969 6.168 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -10.000 0.980 4.855 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -10.900 -0.543 4.668 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -10.949 0.683 3.379 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -11.153 3.027 5.175 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -12.141 2.740 3.723 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -12.929 3.067 5.284 1.00 0.00 H new ATOM 517 N PRO B 3 -14.884 0.881 7.193 1.00 0.00 N ATOM 518 CA PRO B 3 -15.008 0.971 8.666 1.00 0.00 C ATOM 519 C PRO B 3 -13.906 1.715 9.381 1.00 0.00 C ATOM 520 O PRO B 3 -12.831 1.960 8.843 1.00 0.00 O ATOM 521 CB PRO B 3 -14.949 -0.478 9.110 1.00 0.00 C ATOM 522 CG PRO B 3 -15.408 -1.249 7.937 1.00 0.00 C ATOM 523 CD PRO B 3 -15.008 -0.473 6.732 1.00 0.00 C ATOM 0 HA PRO B 3 -15.914 1.527 8.908 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -13.937 -0.762 9.400 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -15.589 -0.654 9.974 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -14.957 -2.241 7.926 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -16.488 -1.390 7.965 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -14.067 -0.839 6.320 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -15.755 -0.555 5.942 1.00 0.00 H new ATOM 531 N PRO B 4 -14.181 2.047 10.648 1.00 0.00 N ATOM 532 CA PRO B 4 -13.259 2.725 11.545 1.00 0.00 C ATOM 533 C PRO B 4 -11.950 2.025 11.674 1.00 0.00 C ATOM 534 O PRO B 4 -11.843 0.815 11.471 1.00 0.00 O ATOM 535 CB PRO B 4 -14.009 2.705 12.832 1.00 0.00 C ATOM 536 CG PRO B 4 -15.383 2.784 12.382 1.00 0.00 C ATOM 537 CD PRO B 4 -15.432 1.772 11.350 1.00 0.00 C ATOM 0 HA PRO B 4 -12.987 3.721 11.195 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.818 1.795 13.401 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.741 3.545 13.473 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -16.087 2.576 13.188 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -15.627 3.773 11.993 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -15.464 0.763 11.760 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -16.303 1.881 10.704 1.00 0.00 H new ATOM 545 N GLY B 5 -10.951 2.808 11.997 1.00 0.00 N ATOM 546 CA GLY B 5 -9.629 2.283 12.132 1.00 0.00 C ATOM 547 C GLY B 5 -8.973 1.954 10.793 1.00 0.00 C ATOM 548 O GLY B 5 -7.747 1.894 10.707 1.00 0.00 O ATOM 0 H GLY B 5 -11.035 3.810 12.170 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -9.011 3.006 12.664 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -9.664 1.381 12.744 1.00 0.00 H new ATOM 552 N TRP B 6 -9.787 1.737 9.746 1.00 0.00 N ATOM 553 CA TRP B 6 -9.280 1.411 8.432 1.00 0.00 C ATOM 554 C TRP B 6 -8.755 2.638 7.732 1.00 0.00 C ATOM 555 O TRP B 6 -9.391 3.694 7.755 1.00 0.00 O ATOM 556 CB TRP B 6 -10.382 0.867 7.537 1.00 0.00 C ATOM 557 CG TRP B 6 -10.621 -0.580 7.571 1.00 0.00 C ATOM 558 CD1 TRP B 6 -11.802 -1.140 7.814 1.00 0.00 C ATOM 559 CD2 TRP B 6 -9.727 -1.628 7.294 1.00 0.00 C ATOM 560 NE1 TRP B 6 -11.698 -2.500 7.833 1.00 0.00 N ATOM 561 CE2 TRP B 6 -10.419 -2.832 7.502 1.00 0.00 C ATOM 562 CE3 TRP B 6 -8.405 -1.675 6.925 1.00 0.00 C ATOM 563 CZ2 TRP B 6 -9.798 -4.071 7.348 1.00 0.00 C ATOM 564 CZ3 TRP B 6 -7.804 -2.889 6.759 1.00 0.00 C ATOM 565 CH2 TRP B 6 -8.480 -4.059 6.974 1.00 0.00 C ATOM 0 H TRP B 6 -10.804 1.786 9.801 1.00 0.00 H new ATOM 0 HA TRP B 6 -8.493 0.673 8.588 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -11.312 1.369 7.803 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -10.151 1.147 6.509 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -12.719 -0.593 7.975 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -12.448 -3.155 8.056 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -7.848 -0.763 6.768 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -10.330 -4.996 7.515 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -6.770 -2.927 6.450 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -7.961 -4.997 6.846 1.00 0.00 H new ATOM 576 N GLU B 7 -7.641 2.480 7.054 1.00 0.00 N ATOM 577 CA GLU B 7 -7.086 3.565 6.280 1.00 0.00 C ATOM 578 C GLU B 7 -6.344 3.024 5.086 1.00 0.00 C ATOM 579 O GLU B 7 -5.244 2.478 5.214 1.00 0.00 O ATOM 580 CB GLU B 7 -6.156 4.457 7.092 1.00 0.00 C ATOM 581 CG GLU B 7 -6.754 4.998 8.385 1.00 0.00 C ATOM 582 CD GLU B 7 -7.456 6.330 8.197 1.00 0.00 C ATOM 583 OE1 GLU B 7 -8.454 6.379 7.446 1.00 0.00 O ATOM 584 OE2 GLU B 7 -7.008 7.327 8.802 1.00 0.00 O ATOM 0 H GLU B 7 -7.104 1.614 7.023 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.927 4.179 5.957 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -5.255 3.893 7.333 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -5.849 5.298 6.471 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -7.463 4.272 8.783 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -5.963 5.111 9.126 1.00 0.00 H new ATOM 591 N LYS B 8 -6.958 3.179 3.926 1.00 0.00 N ATOM 592 CA LYS B 8 -6.360 2.708 2.683 1.00 0.00 C ATOM 593 C LYS B 8 -4.901 3.190 2.615 1.00 0.00 C ATOM 594 O LYS B 8 -4.632 4.376 2.821 1.00 0.00 O ATOM 595 CB LYS B 8 -7.118 3.263 1.447 1.00 0.00 C ATOM 596 CG LYS B 8 -6.796 2.511 0.157 1.00 0.00 C ATOM 597 CD LYS B 8 -7.479 3.143 -1.045 1.00 0.00 C ATOM 598 CE LYS B 8 -7.363 2.262 -2.279 1.00 0.00 C ATOM 599 NZ LYS B 8 -7.458 3.052 -3.539 1.00 0.00 N ATOM 0 H LYS B 8 -7.868 3.626 3.816 1.00 0.00 H new ATOM 0 HA LYS B 8 -6.415 1.619 2.669 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -8.191 3.210 1.633 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -6.868 4.316 1.318 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -5.717 2.502 0.000 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -7.113 1.472 0.252 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -8.531 3.316 -0.818 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -7.033 4.116 -1.248 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -6.413 1.729 -2.256 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -8.151 1.509 -2.263 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -7.374 2.414 -4.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -8.375 3.541 -3.574 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -6.691 3.753 -3.568 1.00 0.00 H new ATOM 613 N ARG B 9 -3.965 2.285 2.336 1.00 0.00 N ATOM 614 CA ARG B 9 -2.547 2.655 2.260 1.00 0.00 C ATOM 615 C ARG B 9 -1.923 2.188 0.948 1.00 0.00 C ATOM 616 O ARG B 9 -2.315 1.156 0.413 1.00 0.00 O ATOM 617 CB ARG B 9 -1.786 2.045 3.441 1.00 0.00 C ATOM 618 CG ARG B 9 -0.618 2.891 3.921 1.00 0.00 C ATOM 619 CD ARG B 9 -0.066 2.378 5.243 1.00 0.00 C ATOM 620 NE ARG B 9 -1.054 2.324 6.269 1.00 0.00 N ATOM 621 CZ ARG B 9 -1.272 3.297 7.129 1.00 0.00 C ATOM 622 NH1 ARG B 9 -0.746 4.510 6.972 1.00 0.00 N ATOM 623 NH2 ARG B 9 -2.029 3.024 8.140 1.00 0.00 N ATOM 0 H ARG B 9 -4.156 1.299 2.160 1.00 0.00 H new ATOM 0 HA ARG B 9 -2.478 3.742 2.302 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.479 1.895 4.269 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -1.416 1.061 3.153 1.00 0.00 H new ATOM 0 HG2 ARG B 9 0.171 2.885 3.169 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -0.940 3.926 4.037 1.00 0.00 H new ATOM 0 HD2 ARG B 9 0.353 1.383 5.095 1.00 0.00 H new ATOM 0 HD3 ARG B 9 0.751 3.023 5.565 1.00 0.00 H new ATOM 0 HE ARG B 9 -1.626 1.482 6.341 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -0.153 4.708 6.166 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -0.936 5.241 7.658 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -2.426 2.090 8.242 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -2.230 3.742 8.836 1.00 0.00 H new ATOM 637 N CYS B 10 -0.943 2.946 0.435 1.00 0.00 N ATOM 638 CA CYS B 10 -0.273 2.571 -0.817 1.00 0.00 C ATOM 639 C CYS B 10 1.231 2.818 -0.771 1.00 0.00 C ATOM 640 O CYS B 10 1.687 3.963 -0.757 1.00 0.00 O ATOM 641 CB CYS B 10 -0.862 3.307 -2.028 1.00 0.00 C ATOM 642 SG CYS B 10 -2.682 3.277 -2.122 1.00 0.00 S ATOM 0 H CYS B 10 -0.602 3.808 0.860 1.00 0.00 H new ATOM 0 HA CYS B 10 -0.448 1.501 -0.929 1.00 0.00 H new ATOM 0 HB2 CYS B 10 -0.530 4.345 -2.003 1.00 0.00 H new ATOM 0 HB3 CYS B 10 -0.457 2.864 -2.938 1.00 0.00 H new ATOM 0 HG CYS B 10 -3.055 2.448 -3.052 1.00 0.00 H new ATOM 647 N PHE B 11 1.994 1.726 -0.794 1.00 0.00 N ATOM 648 CA PHE B 11 3.446 1.803 -0.807 1.00 0.00 C ATOM 649 C PHE B 11 3.983 1.199 -2.102 1.00 0.00 C ATOM 650 O PHE B 11 3.525 0.139 -2.536 1.00 0.00 O ATOM 651 CB PHE B 11 4.071 1.065 0.392 1.00 0.00 C ATOM 652 CG PHE B 11 3.947 -0.436 0.326 1.00 0.00 C ATOM 653 CD1 PHE B 11 4.805 -1.187 -0.483 1.00 0.00 C ATOM 654 CD2 PHE B 11 2.981 -1.103 1.075 1.00 0.00 C ATOM 655 CE1 PHE B 11 4.696 -2.571 -0.541 1.00 0.00 C ATOM 656 CE2 PHE B 11 2.871 -2.488 1.020 1.00 0.00 C ATOM 657 CZ PHE B 11 3.729 -3.222 0.212 1.00 0.00 C ATOM 0 H PHE B 11 1.624 0.775 -0.804 1.00 0.00 H new ATOM 0 HA PHE B 11 3.720 2.856 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.127 1.329 0.457 1.00 0.00 H new ATOM 0 HB3 PHE B 11 3.598 1.418 1.308 1.00 0.00 H new ATOM 0 HD1 PHE B 11 5.561 -0.686 -1.069 1.00 0.00 H new ATOM 0 HD2 PHE B 11 2.310 -0.538 1.705 1.00 0.00 H new ATOM 0 HE1 PHE B 11 5.363 -3.140 -1.172 1.00 0.00 H new ATOM 0 HE2 PHE B 11 2.118 -2.993 1.606 1.00 0.00 H new ATOM 0 HZ PHE B 11 3.644 -4.298 0.170 1.00 0.00 H new ATOM 667 N TYR B 12 4.971 1.847 -2.699 1.00 0.00 N ATOM 668 CA TYR B 12 5.583 1.332 -3.908 1.00 0.00 C ATOM 669 C TYR B 12 6.616 0.292 -3.524 1.00 0.00 C ATOM 670 O TYR B 12 7.381 0.509 -2.583 1.00 0.00 O ATOM 671 CB TYR B 12 6.248 2.448 -4.708 1.00 0.00 C ATOM 672 CG TYR B 12 5.316 3.004 -5.756 1.00 0.00 C ATOM 673 CD1 TYR B 12 5.228 2.414 -7.003 1.00 0.00 C ATOM 674 CD2 TYR B 12 4.533 4.132 -5.515 1.00 0.00 C ATOM 675 CE1 TYR B 12 4.415 2.912 -7.981 1.00 0.00 C ATOM 676 CE2 TYR B 12 3.700 4.646 -6.482 1.00 0.00 C ATOM 677 CZ TYR B 12 3.641 4.035 -7.729 1.00 0.00 C ATOM 678 OH TYR B 12 2.820 4.540 -8.708 1.00 0.00 O ATOM 0 H TYR B 12 5.363 2.727 -2.365 1.00 0.00 H new ATOM 0 HA TYR B 12 4.810 0.887 -4.534 1.00 0.00 H new ATOM 0 HB2 TYR B 12 6.558 3.246 -4.034 1.00 0.00 H new ATOM 0 HB3 TYR B 12 7.150 2.067 -5.186 1.00 0.00 H new ATOM 0 HD1 TYR B 12 5.819 1.534 -7.210 1.00 0.00 H new ATOM 0 HD2 TYR B 12 4.581 4.612 -4.549 1.00 0.00 H new ATOM 0 HE1 TYR B 12 4.375 2.433 -8.948 1.00 0.00 H new ATOM 0 HE2 TYR B 12 3.097 5.517 -6.274 1.00 0.00 H new ATOM 0 HH TYR B 12 2.714 3.876 -9.421 1.00 0.00 H new ATOM 688 N PHE B 13 6.657 -0.826 -4.235 1.00 0.00 N ATOM 689 CA PHE B 13 7.646 -1.853 -3.929 1.00 0.00 C ATOM 690 C PHE B 13 8.605 -1.982 -5.069 1.00 0.00 C ATOM 691 O PHE B 13 8.214 -2.279 -6.196 1.00 0.00 O ATOM 692 CB PHE B 13 7.014 -3.204 -3.642 1.00 0.00 C ATOM 693 CG PHE B 13 7.951 -4.120 -2.910 1.00 0.00 C ATOM 694 CD1 PHE B 13 8.186 -3.919 -1.561 1.00 0.00 C ATOM 695 CD2 PHE B 13 8.597 -5.181 -3.555 1.00 0.00 C ATOM 696 CE1 PHE B 13 9.030 -4.751 -0.854 1.00 0.00 C ATOM 697 CE2 PHE B 13 9.448 -6.021 -2.861 1.00 0.00 C ATOM 698 CZ PHE B 13 9.663 -5.812 -1.502 1.00 0.00 C ATOM 0 H PHE B 13 6.032 -1.044 -5.011 1.00 0.00 H new ATOM 0 HA PHE B 13 8.169 -1.540 -3.025 1.00 0.00 H new ATOM 0 HB2 PHE B 13 6.110 -3.063 -3.050 1.00 0.00 H new ATOM 0 HB3 PHE B 13 6.712 -3.669 -4.580 1.00 0.00 H new ATOM 0 HD1 PHE B 13 7.701 -3.098 -1.054 1.00 0.00 H new ATOM 0 HD2 PHE B 13 8.428 -5.346 -4.609 1.00 0.00 H new ATOM 0 HE1 PHE B 13 9.200 -4.581 0.199 1.00 0.00 H new ATOM 0 HE2 PHE B 13 9.943 -6.835 -3.370 1.00 0.00 H new ATOM 0 HZ PHE B 13 10.318 -6.470 -0.950 1.00 0.00 H new ATOM 708 N ASN B 14 9.868 -1.761 -4.766 1.00 0.00 N ATOM 709 CA ASN B 14 10.887 -1.847 -5.767 1.00 0.00 C ATOM 710 C ASN B 14 11.467 -3.233 -5.709 1.00 0.00 C ATOM 711 O ASN B 14 12.540 -3.414 -5.165 1.00 0.00 O ATOM 712 CB ASN B 14 11.986 -0.798 -5.532 1.00 0.00 C ATOM 713 CG ASN B 14 12.841 -0.502 -6.755 1.00 0.00 C ATOM 714 OD1 ASN B 14 14.011 -0.145 -6.630 1.00 0.00 O ATOM 715 ND2 ASN B 14 12.268 -0.634 -7.938 1.00 0.00 N ATOM 0 H ASN B 14 10.203 -1.521 -3.833 1.00 0.00 H new ATOM 0 HA ASN B 14 10.459 -1.649 -6.750 1.00 0.00 H new ATOM 0 HB2 ASN B 14 11.521 0.129 -5.195 1.00 0.00 H new ATOM 0 HB3 ASN B 14 12.633 -1.142 -4.725 1.00 0.00 H new ATOM 0 HD21 ASN B 14 12.799 -0.437 -8.787 1.00 0.00 H new ATOM 0 HD22 ASN B 14 11.295 -0.932 -8.003 1.00 0.00 H new ATOM 722 N ARG B 15 10.726 -4.215 -6.214 1.00 0.00 N ATOM 723 CA ARG B 15 11.162 -5.609 -6.156 1.00 0.00 C ATOM 724 C ARG B 15 12.638 -5.789 -6.542 1.00 0.00 C ATOM 725 O ARG B 15 13.244 -6.791 -6.155 1.00 0.00 O ATOM 726 CB ARG B 15 10.226 -6.536 -6.946 1.00 0.00 C ATOM 727 CG ARG B 15 10.938 -7.557 -7.819 1.00 0.00 C ATOM 728 CD ARG B 15 9.978 -8.206 -8.810 1.00 0.00 C ATOM 729 NE ARG B 15 8.796 -8.766 -8.150 1.00 0.00 N ATOM 730 CZ ARG B 15 8.786 -9.919 -7.473 1.00 0.00 C ATOM 731 NH1 ARG B 15 9.895 -10.647 -7.357 1.00 0.00 N ATOM 732 NH2 ARG B 15 7.661 -10.344 -6.909 1.00 0.00 N ATOM 0 H ARG B 15 9.823 -4.073 -6.667 1.00 0.00 H new ATOM 0 HA ARG B 15 11.093 -5.911 -5.111 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.581 -7.064 -6.244 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.579 -5.926 -7.576 1.00 0.00 H new ATOM 0 HG2 ARG B 15 11.750 -7.072 -8.361 1.00 0.00 H new ATOM 0 HG3 ARG B 15 11.389 -8.325 -7.190 1.00 0.00 H new ATOM 0 HD2 ARG B 15 9.664 -7.467 -9.547 1.00 0.00 H new ATOM 0 HD3 ARG B 15 10.498 -8.996 -9.352 1.00 0.00 H new ATOM 0 HE ARG B 15 7.923 -8.242 -8.211 1.00 0.00 H new ATOM 0 HH11 ARG B 15 10.763 -10.326 -7.787 1.00 0.00 H new ATOM 0 HH12 ARG B 15 9.877 -11.525 -6.838 1.00 0.00 H new ATOM 0 HH21 ARG B 15 6.808 -9.791 -6.993 1.00 0.00 H new ATOM 0 HH22 ARG B 15 7.650 -11.223 -6.392 1.00 0.00 H new ATOM 746 N ILE B 16 13.256 -4.802 -7.220 1.00 0.00 N ATOM 747 CA ILE B 16 14.638 -4.875 -7.519 1.00 0.00 C ATOM 748 C ILE B 16 15.404 -4.799 -6.222 1.00 0.00 C ATOM 749 O ILE B 16 16.249 -5.636 -5.899 1.00 0.00 O ATOM 750 CB ILE B 16 15.039 -3.713 -8.371 1.00 0.00 C ATOM 751 CG1 ILE B 16 14.545 -3.899 -9.799 1.00 0.00 C ATOM 752 CG2 ILE B 16 16.525 -3.615 -8.287 1.00 0.00 C ATOM 753 CD1 ILE B 16 13.918 -5.243 -10.134 1.00 0.00 C ATOM 0 H ILE B 16 12.791 -3.959 -7.557 1.00 0.00 H new ATOM 0 HA ILE B 16 14.849 -5.804 -8.049 1.00 0.00 H new ATOM 0 HB ILE B 16 14.589 -2.783 -8.023 1.00 0.00 H new ATOM 0 HG12 ILE B 16 13.813 -3.120 -10.010 1.00 0.00 H new ATOM 0 HG13 ILE B 16 15.386 -3.738 -10.474 1.00 0.00 H new ATOM 0 HG21 ILE B 16 16.869 -2.778 -8.895 1.00 0.00 H new ATOM 0 HG22 ILE B 16 16.821 -3.457 -7.250 1.00 0.00 H new ATOM 0 HG23 ILE B 16 16.972 -4.539 -8.655 1.00 0.00 H new ATOM 0 HD11 ILE B 16 13.608 -5.249 -11.179 1.00 0.00 H new ATOM 0 HD12 ILE B 16 14.647 -6.036 -9.967 1.00 0.00 H new ATOM 0 HD13 ILE B 16 13.050 -5.408 -9.496 1.00 0.00 H new ATOM 765 N THR B 17 15.037 -3.770 -5.483 1.00 0.00 N ATOM 766 CA THR B 17 15.580 -3.484 -4.191 1.00 0.00 C ATOM 767 C THR B 17 14.686 -4.056 -3.123 1.00 0.00 C ATOM 768 O THR B 17 14.857 -3.769 -1.937 1.00 0.00 O ATOM 769 CB THR B 17 15.725 -1.984 -4.073 1.00 0.00 C ATOM 770 OG1 THR B 17 14.472 -1.357 -3.856 1.00 0.00 O ATOM 771 CG2 THR B 17 16.340 -1.451 -5.335 1.00 0.00 C ATOM 0 H THR B 17 14.332 -3.097 -5.783 1.00 0.00 H new ATOM 0 HA THR B 17 16.559 -3.944 -4.062 1.00 0.00 H new ATOM 0 HB THR B 17 16.363 -1.766 -3.217 1.00 0.00 H new ATOM 0 HG1 THR B 17 14.440 -0.511 -4.349 1.00 0.00 H new ATOM 0 HG21 THR B 17 16.448 -0.369 -5.258 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.320 -1.904 -5.482 1.00 0.00 H new ATOM 0 HG23 THR B 17 15.698 -1.692 -6.182 1.00 0.00 H new ATOM 779 N GLY B 18 13.692 -4.828 -3.599 1.00 0.00 N ATOM 780 CA GLY B 18 12.660 -5.398 -2.755 1.00 0.00 C ATOM 781 C GLY B 18 12.377 -4.507 -1.570 1.00 0.00 C ATOM 782 O GLY B 18 12.073 -4.976 -0.473 1.00 0.00 O ATOM 0 H GLY B 18 13.594 -5.067 -4.586 1.00 0.00 H new ATOM 0 HA2 GLY B 18 11.748 -5.539 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY B 18 12.972 -6.383 -2.408 1.00 0.00 H new ATOM 786 N LYS B 19 12.512 -3.199 -1.809 1.00 0.00 N ATOM 787 CA LYS B 19 12.301 -2.207 -0.789 1.00 0.00 C ATOM 788 C LYS B 19 11.007 -1.453 -1.042 1.00 0.00 C ATOM 789 O LYS B 19 10.430 -1.537 -2.127 1.00 0.00 O ATOM 790 CB LYS B 19 13.511 -1.288 -0.698 1.00 0.00 C ATOM 791 CG LYS B 19 13.346 -0.006 -1.458 1.00 0.00 C ATOM 792 CD LYS B 19 14.090 1.145 -0.798 1.00 0.00 C ATOM 793 CE LYS B 19 13.339 1.677 0.414 1.00 0.00 C ATOM 794 NZ LYS B 19 12.629 2.951 0.116 1.00 0.00 N ATOM 0 H LYS B 19 12.770 -2.814 -2.718 1.00 0.00 H new ATOM 0 HA LYS B 19 12.195 -2.695 0.180 1.00 0.00 H new ATOM 0 HB2 LYS B 19 13.705 -1.058 0.350 1.00 0.00 H new ATOM 0 HB3 LYS B 19 14.387 -1.815 -1.076 1.00 0.00 H new ATOM 0 HG2 LYS B 19 13.712 -0.138 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS B 19 12.287 0.240 -1.529 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.082 0.811 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.232 1.949 -1.520 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.619 0.931 0.750 1.00 0.00 H new ATOM 0 HE3 LYS B 19 14.040 1.836 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.043 3.720 0.681 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 12.725 3.174 -0.895 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.622 2.851 0.354 1.00 0.00 H new ATOM 808 N ARG B 20 10.522 -0.773 -0.017 1.00 0.00 N ATOM 809 CA ARG B 20 9.249 -0.073 -0.123 1.00 0.00 C ATOM 810 C ARG B 20 9.307 1.427 0.127 1.00 0.00 C ATOM 811 O ARG B 20 10.090 1.926 0.936 1.00 0.00 O ATOM 812 CB ARG B 20 8.242 -0.713 0.831 1.00 0.00 C ATOM 813 CG ARG B 20 8.448 -0.335 2.292 1.00 0.00 C ATOM 814 CD ARG B 20 8.481 -1.566 3.185 1.00 0.00 C ATOM 815 NE ARG B 20 9.691 -2.365 2.979 1.00 0.00 N ATOM 816 CZ ARG B 20 9.795 -3.662 3.281 1.00 0.00 C ATOM 817 NH1 ARG B 20 8.768 -4.318 3.816 1.00 0.00 N ATOM 818 NH2 ARG B 20 10.934 -4.306 3.048 1.00 0.00 N ATOM 0 H ARG B 20 10.983 -0.690 0.889 1.00 0.00 H new ATOM 0 HA ARG B 20 8.943 -0.177 -1.164 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.236 -0.423 0.529 1.00 0.00 H new ATOM 0 HB3 ARG B 20 8.303 -1.797 0.734 1.00 0.00 H new ATOM 0 HG2 ARG B 20 9.381 0.218 2.398 1.00 0.00 H new ATOM 0 HG3 ARG B 20 7.646 0.329 2.614 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.424 -1.257 4.229 1.00 0.00 H new ATOM 0 HD3 ARG B 20 7.603 -2.181 2.986 1.00 0.00 H new ATOM 0 HE ARG B 20 10.507 -1.901 2.579 1.00 0.00 H new ATOM 0 HH11 ARG B 20 7.891 -3.830 3.999 1.00 0.00 H new ATOM 0 HH12 ARG B 20 8.858 -5.308 4.043 1.00 0.00 H new ATOM 0 HH21 ARG B 20 11.726 -3.810 2.640 1.00 0.00 H new ATOM 0 HH22 ARG B 20 11.016 -5.296 3.278 1.00 0.00 H new ATOM 832 N GLN B 21 8.419 2.118 -0.586 1.00 0.00 N ATOM 833 CA GLN B 21 8.256 3.555 -0.506 1.00 0.00 C ATOM 834 C GLN B 21 6.769 3.874 -0.370 1.00 0.00 C ATOM 835 O GLN B 21 5.933 3.021 -0.636 1.00 0.00 O ATOM 836 CB GLN B 21 8.705 4.187 -1.801 1.00 0.00 C ATOM 837 CG GLN B 21 9.972 3.652 -2.379 1.00 0.00 C ATOM 838 CD GLN B 21 11.004 4.712 -2.651 1.00 0.00 C ATOM 839 OE1 GLN B 21 12.060 4.747 -2.021 1.00 0.00 O ATOM 840 NE2 GLN B 21 10.709 5.583 -3.595 1.00 0.00 N ATOM 0 H GLN B 21 7.781 1.677 -1.249 1.00 0.00 H new ATOM 0 HA GLN B 21 8.834 3.929 0.339 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.911 4.064 -2.538 1.00 0.00 H new ATOM 0 HB3 GLN B 21 8.826 5.258 -1.638 1.00 0.00 H new ATOM 0 HG2 GLN B 21 10.392 2.915 -1.694 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.746 3.130 -3.309 1.00 0.00 H new ATOM 0 HE21 GLN B 21 9.821 5.515 -4.092 1.00 0.00 H new ATOM 0 HE22 GLN B 21 11.369 6.325 -3.829 1.00 0.00 H new ATOM 849 N PHE B 22 6.438 5.116 -0.057 1.00 0.00 N ATOM 850 CA PHE B 22 5.040 5.543 -0.018 1.00 0.00 C ATOM 851 C PHE B 22 4.842 6.548 -1.164 1.00 0.00 C ATOM 852 O PHE B 22 4.095 7.522 -1.060 1.00 0.00 O ATOM 853 CB PHE B 22 4.712 6.182 1.325 1.00 0.00 C ATOM 854 CG PHE B 22 4.110 5.219 2.309 1.00 0.00 C ATOM 855 CD1 PHE B 22 4.631 3.935 2.451 1.00 0.00 C ATOM 856 CD2 PHE B 22 3.018 5.585 3.093 1.00 0.00 C ATOM 857 CE1 PHE B 22 4.080 3.043 3.349 1.00 0.00 C ATOM 858 CE2 PHE B 22 2.465 4.695 3.993 1.00 0.00 C ATOM 859 CZ PHE B 22 2.998 3.425 4.118 1.00 0.00 C ATOM 0 H PHE B 22 7.111 5.847 0.174 1.00 0.00 H new ATOM 0 HA PHE B 22 4.372 4.690 -0.138 1.00 0.00 H new ATOM 0 HB2 PHE B 22 5.622 6.604 1.751 1.00 0.00 H new ATOM 0 HB3 PHE B 22 4.020 7.009 1.167 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.477 3.633 1.851 1.00 0.00 H new ATOM 0 HD2 PHE B 22 2.599 6.576 2.996 1.00 0.00 H new ATOM 0 HE1 PHE B 22 4.493 2.050 3.450 1.00 0.00 H new ATOM 0 HE2 PHE B 22 1.620 4.990 4.597 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.566 2.728 4.821 1.00 0.00 H new ATOM 869 N GLU B 23 5.619 6.309 -2.223 1.00 0.00 N ATOM 870 CA GLU B 23 5.701 7.152 -3.403 1.00 0.00 C ATOM 871 C GLU B 23 6.027 6.388 -4.643 1.00 0.00 C ATOM 872 O GLU B 23 6.664 5.346 -4.579 1.00 0.00 O ATOM 873 CB GLU B 23 6.883 8.093 -3.195 1.00 0.00 C ATOM 874 CG GLU B 23 7.927 8.045 -4.319 1.00 0.00 C ATOM 875 CD GLU B 23 9.127 8.934 -4.052 1.00 0.00 C ATOM 876 OE1 GLU B 23 8.947 10.168 -3.975 1.00 0.00 O ATOM 877 OE2 GLU B 23 10.248 8.398 -3.927 1.00 0.00 O ATOM 0 H GLU B 23 6.227 5.492 -2.278 1.00 0.00 H new ATOM 0 HA GLU B 23 4.735 7.642 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU B 23 6.510 9.113 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.369 7.846 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.265 7.017 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.459 8.348 -5.256 1.00 0.00 H new ATOM 884 N ARG B 24 5.727 7.031 -5.766 1.00 0.00 N ATOM 885 CA ARG B 24 6.131 6.546 -7.052 1.00 0.00 C ATOM 886 C ARG B 24 7.485 7.215 -7.282 1.00 0.00 C ATOM 887 O ARG B 24 7.585 8.422 -7.513 1.00 0.00 O ATOM 888 CB ARG B 24 5.101 6.871 -8.108 1.00 0.00 C ATOM 889 CG ARG B 24 5.521 6.421 -9.476 1.00 0.00 C ATOM 890 CD ARG B 24 4.797 7.201 -10.561 1.00 0.00 C ATOM 891 NE ARG B 24 3.788 6.409 -11.260 1.00 0.00 N ATOM 892 CZ ARG B 24 2.506 6.323 -10.894 1.00 0.00 C ATOM 893 NH1 ARG B 24 2.060 6.974 -9.821 1.00 0.00 N ATOM 894 NH2 ARG B 24 1.663 5.584 -11.608 1.00 0.00 N ATOM 0 H ARG B 24 5.197 7.902 -5.795 1.00 0.00 H new ATOM 0 HA ARG B 24 6.216 5.461 -7.105 1.00 0.00 H new ATOM 0 HB2 ARG B 24 4.155 6.396 -7.847 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.925 7.947 -8.121 1.00 0.00 H new ATOM 0 HG2 ARG B 24 6.597 6.550 -9.589 1.00 0.00 H new ATOM 0 HG3 ARG B 24 5.314 5.357 -9.591 1.00 0.00 H new ATOM 0 HD2 ARG B 24 4.320 8.074 -10.116 1.00 0.00 H new ATOM 0 HD3 ARG B 24 5.526 7.569 -11.283 1.00 0.00 H new ATOM 0 HE ARG B 24 4.083 5.886 -12.084 1.00 0.00 H new ATOM 0 HH11 ARG B 24 2.699 7.546 -9.269 1.00 0.00 H new ATOM 0 HH12 ARG B 24 1.079 6.901 -9.551 1.00 0.00 H new ATOM 0 HH21 ARG B 24 1.995 5.084 -12.433 1.00 0.00 H new ATOM 0 HH22 ARG B 24 0.684 5.516 -11.331 1.00 0.00 H new ATOM 908 N PRO B 25 8.536 6.414 -7.108 1.00 0.00 N ATOM 909 CA PRO B 25 9.939 6.838 -7.167 1.00 0.00 C ATOM 910 C PRO B 25 10.286 7.745 -8.324 1.00 0.00 C ATOM 911 O PRO B 25 9.763 7.633 -9.435 1.00 0.00 O ATOM 912 CB PRO B 25 10.713 5.557 -7.196 1.00 0.00 C ATOM 913 CG PRO B 25 9.792 4.525 -6.640 1.00 0.00 C ATOM 914 CD PRO B 25 8.398 5.008 -6.787 1.00 0.00 C ATOM 0 HA PRO B 25 10.181 7.465 -6.309 1.00 0.00 H new ATOM 0 HB2 PRO B 25 11.018 5.305 -8.212 1.00 0.00 H new ATOM 0 HB3 PRO B 25 11.622 5.634 -6.600 1.00 0.00 H new ATOM 0 HG2 PRO B 25 9.922 3.579 -7.166 1.00 0.00 H new ATOM 0 HG3 PRO B 25 10.020 4.340 -5.590 1.00 0.00 H new ATOM 0 HD2 PRO B 25 7.872 4.470 -7.576 1.00 0.00 H new ATOM 0 HD3 PRO B 25 7.829 4.864 -5.869 1.00 0.00 H new ATOM 922 N SER B 26 11.184 8.656 -7.999 1.00 0.00 N ATOM 923 CA SER B 26 11.696 9.668 -8.905 1.00 0.00 C ATOM 924 C SER B 26 12.170 9.089 -10.183 1.00 0.00 C ATOM 925 O SER B 26 12.001 9.670 -11.257 1.00 0.00 O ATOM 926 CB SER B 26 12.841 10.379 -8.250 1.00 0.00 C ATOM 927 OG SER B 26 13.433 11.336 -9.114 1.00 0.00 O ATOM 0 H SER B 26 11.591 8.714 -7.066 1.00 0.00 H new ATOM 0 HA SER B 26 10.878 10.354 -9.127 1.00 0.00 H new ATOM 0 HB2 SER B 26 12.490 10.875 -7.345 1.00 0.00 H new ATOM 0 HB3 SER B 26 13.593 9.652 -7.944 1.00 0.00 H new ATOM 0 HG SER B 26 14.174 11.780 -8.652 1.00 0.00 H new ATOM 933 N ASP B 27 12.751 7.935 -10.034 1.00 0.00 N ATOM 934 CA ASP B 27 13.267 7.183 -11.147 1.00 0.00 C ATOM 935 C ASP B 27 14.596 7.742 -11.671 1.00 0.00 C ATOM 936 O ASP B 27 14.750 8.982 -11.716 1.00 0.00 O ATOM 937 CB ASP B 27 12.189 7.179 -12.200 1.00 0.00 C ATOM 938 CG ASP B 27 12.644 7.645 -13.575 1.00 0.00 C ATOM 939 OD1 ASP B 27 13.207 6.818 -14.323 1.00 0.00 O ATOM 940 OD2 ASP B 27 12.436 8.832 -13.902 1.00 0.00 O ATOM 941 OXT ASP B 27 15.472 6.929 -12.032 1.00 0.00 O ATOM 0 H ASP B 27 12.883 7.482 -9.129 1.00 0.00 H new ATOM 0 HA ASP B 27 13.506 6.165 -10.840 1.00 0.00 H new ATOM 0 HB2 ASP B 27 11.789 6.169 -12.287 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.371 7.818 -11.867 1.00 0.00 H new TER 946 ASP B 27