USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=14 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= -4.17! K(o=-8.9!,f=-9.5) USER MOD Set 1.2: B 17 THR OG1 : rot -140:sc= -4.73! USER MOD Set 2.1: A 10 CYS SG : rot -13:sc= -10.2! USER MOD Set 2.2: B 10 CYS SG : rot 158:sc= -10.4! USER MOD Single : A 1 LYS N :NH3+ 156:sc= 0.0101 (180deg=-0.302) USER MOD Single : A 1 LYS NZ :NH3+ 153:sc= -0.173 (180deg=-0.818) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 165:sc= 0.0354 USER MOD Single : A 14 ASN : amide:sc= -13! C(o=-13!,f=-6.8!) USER MOD Single : A 17 THR OG1 : rot -70:sc= 1.04 USER MOD Single : A 19 LYS NZ :NH3+ -123:sc= -0.0184 (180deg=-0.694) USER MOD Single : A 21 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.091) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -123:sc= 0.0163 (180deg=-0.522) USER MOD Single : B 1 LYS NZ :NH3+ 173:sc=-0.00315 (180deg=-0.104) USER MOD Single : B 8 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.34) USER MOD Single : B 12 TYR OH : rot -9:sc= -1.36! USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -0.954 K(o=-0.95,f=-0.16) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.078 7.471 -14.537 1.00 0.00 N ATOM 2 CA LYS A 1 4.931 6.244 -13.702 1.00 0.00 C ATOM 3 C LYS A 1 6.282 5.713 -13.237 1.00 0.00 C ATOM 4 O LYS A 1 7.321 6.070 -13.797 1.00 0.00 O ATOM 5 CB LYS A 1 4.224 5.167 -14.518 1.00 0.00 C ATOM 6 CG LYS A 1 4.991 4.732 -15.759 1.00 0.00 C ATOM 7 CD LYS A 1 4.471 5.419 -17.014 1.00 0.00 C ATOM 8 CE LYS A 1 5.592 6.054 -17.820 1.00 0.00 C ATOM 9 NZ LYS A 1 6.749 5.132 -18.012 1.00 0.00 N ATOM 0 H1 LYS A 1 4.247 7.573 -15.153 1.00 0.00 H new ATOM 0 H2 LYS A 1 5.155 8.304 -13.919 1.00 0.00 H new ATOM 0 H3 LYS A 1 5.935 7.393 -15.121 1.00 0.00 H new ATOM 0 HA LYS A 1 4.348 6.503 -12.818 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.054 4.297 -13.884 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.244 5.538 -14.819 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.049 4.961 -15.631 1.00 0.00 H new ATOM 0 HG3 LYS A 1 4.910 3.651 -15.876 1.00 0.00 H new ATOM 0 HD2 LYS A 1 3.945 4.693 -17.634 1.00 0.00 H new ATOM 0 HD3 LYS A 1 3.746 6.184 -16.735 1.00 0.00 H new ATOM 0 HE2 LYS A 1 5.208 6.358 -18.794 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.932 6.958 -17.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 7.252 5.383 -18.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.398 5.216 -17.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.405 4.153 -18.079 1.00 0.00 H new ATOM 25 N LEU A 2 6.271 4.870 -12.200 1.00 0.00 N ATOM 26 CA LEU A 2 7.506 4.327 -11.676 1.00 0.00 C ATOM 27 C LEU A 2 8.158 3.234 -12.563 1.00 0.00 C ATOM 28 O LEU A 2 7.546 2.622 -13.440 1.00 0.00 O ATOM 29 CB LEU A 2 7.365 3.902 -10.205 1.00 0.00 C ATOM 30 CG LEU A 2 6.988 2.471 -9.942 1.00 0.00 C ATOM 31 CD1 LEU A 2 6.423 2.334 -8.577 1.00 0.00 C ATOM 32 CD2 LEU A 2 5.978 2.029 -10.896 1.00 0.00 C ATOM 0 H LEU A 2 5.427 4.558 -11.719 1.00 0.00 H new ATOM 0 HA LEU A 2 8.219 5.151 -11.707 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.312 4.101 -9.703 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.616 4.541 -9.738 1.00 0.00 H new ATOM 0 HG LEU A 2 7.887 1.863 -10.041 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.153 1.293 -8.398 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.165 2.648 -7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.535 2.960 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.715 0.991 -10.693 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.090 2.653 -10.801 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.373 2.112 -11.909 1.00 0.00 H new ATOM 44 N PRO A 3 9.452 3.055 -12.292 1.00 0.00 N ATOM 45 CA PRO A 3 10.415 2.124 -12.939 1.00 0.00 C ATOM 46 C PRO A 3 10.205 0.655 -12.661 1.00 0.00 C ATOM 47 O PRO A 3 9.421 0.259 -11.807 1.00 0.00 O ATOM 48 CB PRO A 3 11.749 2.497 -12.303 1.00 0.00 C ATOM 49 CG PRO A 3 11.514 3.795 -11.658 1.00 0.00 C ATOM 50 CD PRO A 3 10.088 3.818 -11.268 1.00 0.00 C ATOM 0 HA PRO A 3 10.322 2.231 -14.020 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.063 1.747 -11.577 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.538 2.566 -13.052 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.157 3.917 -10.786 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.743 4.614 -12.340 1.00 0.00 H new ATOM 0 HD2 PRO A 3 9.934 3.376 -10.283 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.700 4.836 -11.225 1.00 0.00 H new ATOM 58 N PRO A 4 10.974 -0.164 -13.387 1.00 0.00 N ATOM 59 CA PRO A 4 10.995 -1.615 -13.265 1.00 0.00 C ATOM 60 C PRO A 4 11.276 -2.079 -11.872 1.00 0.00 C ATOM 61 O PRO A 4 11.820 -1.344 -11.042 1.00 0.00 O ATOM 62 CB PRO A 4 12.101 -1.984 -14.198 1.00 0.00 C ATOM 63 CG PRO A 4 12.008 -0.946 -15.205 1.00 0.00 C ATOM 64 CD PRO A 4 11.932 0.255 -14.407 1.00 0.00 C ATOM 0 HA PRO A 4 10.035 -2.076 -13.499 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.071 -1.984 -13.701 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.961 -2.978 -14.623 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.876 -0.941 -15.865 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.128 -1.070 -15.836 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.897 0.532 -13.981 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.579 1.112 -14.980 1.00 0.00 H new ATOM 72 N GLY A 5 10.869 -3.300 -11.619 1.00 0.00 N ATOM 73 CA GLY A 5 11.034 -3.874 -10.318 1.00 0.00 C ATOM 74 C GLY A 5 10.041 -3.329 -9.299 1.00 0.00 C ATOM 75 O GLY A 5 9.700 -4.013 -8.334 1.00 0.00 O ATOM 0 H GLY A 5 10.421 -3.911 -12.302 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.920 -4.956 -10.387 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.048 -3.682 -9.968 1.00 0.00 H new ATOM 79 N TRP A 6 9.582 -2.089 -9.512 1.00 0.00 N ATOM 80 CA TRP A 6 8.645 -1.441 -8.625 1.00 0.00 C ATOM 81 C TRP A 6 7.263 -2.027 -8.763 1.00 0.00 C ATOM 82 O TRP A 6 6.797 -2.289 -9.875 1.00 0.00 O ATOM 83 CB TRP A 6 8.521 0.032 -8.972 1.00 0.00 C ATOM 84 CG TRP A 6 9.451 0.952 -8.302 1.00 0.00 C ATOM 85 CD1 TRP A 6 10.265 1.790 -8.937 1.00 0.00 C ATOM 86 CD2 TRP A 6 9.639 1.178 -6.927 1.00 0.00 C ATOM 87 NE1 TRP A 6 11.021 2.491 -8.054 1.00 0.00 N ATOM 88 CE2 TRP A 6 10.651 2.129 -6.800 1.00 0.00 C ATOM 89 CE3 TRP A 6 9.075 0.664 -5.798 1.00 0.00 C ATOM 90 CZ2 TRP A 6 11.095 2.561 -5.577 1.00 0.00 C ATOM 91 CZ3 TRP A 6 9.510 1.094 -4.589 1.00 0.00 C ATOM 92 CH2 TRP A 6 10.502 2.017 -4.481 1.00 0.00 C ATOM 0 H TRP A 6 9.859 -1.517 -10.310 1.00 0.00 H new ATOM 0 HA TRP A 6 9.024 -1.585 -7.613 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.654 0.140 -10.049 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.504 0.350 -8.743 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.318 1.898 -10.010 1.00 0.00 H new ATOM 0 HE1 TRP A 6 11.742 3.172 -8.292 1.00 0.00 H new ATOM 0 HE3 TRP A 6 8.292 -0.076 -5.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.879 3.299 -5.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 9.059 0.695 -3.692 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.828 2.326 -3.499 1.00 0.00 H new ATOM 103 N GLU A 7 6.586 -2.172 -7.644 1.00 0.00 N ATOM 104 CA GLU A 7 5.227 -2.659 -7.666 1.00 0.00 C ATOM 105 C GLU A 7 4.420 -2.025 -6.560 1.00 0.00 C ATOM 106 O GLU A 7 4.559 -2.373 -5.385 1.00 0.00 O ATOM 107 CB GLU A 7 5.136 -4.180 -7.559 1.00 0.00 C ATOM 108 CG GLU A 7 6.298 -4.948 -8.183 1.00 0.00 C ATOM 109 CD GLU A 7 6.988 -5.870 -7.194 1.00 0.00 C ATOM 110 OE1 GLU A 7 7.751 -5.365 -6.344 1.00 0.00 O ATOM 111 OE2 GLU A 7 6.766 -7.097 -7.272 1.00 0.00 O ATOM 0 H GLU A 7 6.952 -1.961 -6.716 1.00 0.00 H new ATOM 0 HA GLU A 7 4.816 -2.377 -8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.068 -4.450 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.210 -4.506 -8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.930 -5.535 -9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.024 -4.240 -8.581 1.00 0.00 H new ATOM 118 N LYS A 8 3.568 -1.095 -6.960 1.00 0.00 N ATOM 119 CA LYS A 8 2.697 -0.391 -6.025 1.00 0.00 C ATOM 120 C LYS A 8 2.007 -1.416 -5.109 1.00 0.00 C ATOM 121 O LYS A 8 1.597 -2.482 -5.574 1.00 0.00 O ATOM 122 CB LYS A 8 1.603 0.399 -6.799 1.00 0.00 C ATOM 123 CG LYS A 8 0.756 1.312 -5.911 1.00 0.00 C ATOM 124 CD LYS A 8 -0.446 1.862 -6.664 1.00 0.00 C ATOM 125 CE LYS A 8 -1.423 0.758 -7.043 1.00 0.00 C ATOM 126 NZ LYS A 8 -2.656 1.298 -7.681 1.00 0.00 N ATOM 0 H LYS A 8 3.459 -0.807 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 8 3.298 0.303 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.081 1.001 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.947 -0.309 -7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.416 0.758 -5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.368 2.137 -5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.955 2.603 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.108 2.375 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.936 0.062 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.694 0.192 -6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.294 0.513 -7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.135 1.942 -7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.401 1.816 -8.546 1.00 0.00 H new ATOM 140 N ARG A 9 1.880 -1.102 -3.821 1.00 0.00 N ATOM 141 CA ARG A 9 1.238 -2.023 -2.877 1.00 0.00 C ATOM 142 C ARG A 9 0.310 -1.278 -1.919 1.00 0.00 C ATOM 143 O ARG A 9 0.756 -0.756 -0.898 1.00 0.00 O ATOM 144 CB ARG A 9 2.303 -2.793 -2.089 1.00 0.00 C ATOM 145 CG ARG A 9 1.918 -4.233 -1.790 1.00 0.00 C ATOM 146 CD ARG A 9 2.348 -5.173 -2.906 1.00 0.00 C ATOM 147 NE ARG A 9 3.746 -5.107 -3.175 1.00 0.00 N ATOM 148 CZ ARG A 9 4.653 -5.807 -2.528 1.00 0.00 C ATOM 149 NH1 ARG A 9 4.367 -6.473 -1.411 1.00 0.00 N ATOM 150 NH2 ARG A 9 5.845 -5.820 -3.026 1.00 0.00 N ATOM 0 H ARG A 9 2.208 -0.229 -3.408 1.00 0.00 H new ATOM 0 HA ARG A 9 0.634 -2.728 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.236 -2.785 -2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.493 -2.274 -1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.378 -4.546 -0.853 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.839 -4.300 -1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.082 -6.195 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.796 -4.929 -3.814 1.00 0.00 H new ATOM 0 HE ARG A 9 4.063 -4.479 -3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.420 -6.450 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.095 -7.006 -0.935 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.046 -5.303 -3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.585 -6.347 -2.563 1.00 0.00 H new ATOM 164 N CYS A 10 -0.983 -1.231 -2.256 1.00 0.00 N ATOM 165 CA CYS A 10 -1.968 -0.536 -1.420 1.00 0.00 C ATOM 166 C CYS A 10 -2.809 -1.506 -0.595 1.00 0.00 C ATOM 167 O CYS A 10 -3.805 -2.051 -1.077 1.00 0.00 O ATOM 168 CB CYS A 10 -2.877 0.355 -2.275 1.00 0.00 C ATOM 169 SG CYS A 10 -2.049 1.098 -3.721 1.00 0.00 S ATOM 0 H CYS A 10 -1.370 -1.662 -3.095 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.408 0.090 -0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.726 -0.236 -2.620 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.277 1.153 -1.650 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.762 0.954 -3.606 1.00 0.00 H new ATOM 174 N PHE A 11 -2.409 -1.695 0.663 1.00 0.00 N ATOM 175 CA PHE A 11 -3.132 -2.572 1.576 1.00 0.00 C ATOM 176 C PHE A 11 -3.967 -1.752 2.553 1.00 0.00 C ATOM 177 O PHE A 11 -3.508 -0.725 3.058 1.00 0.00 O ATOM 178 CB PHE A 11 -2.167 -3.467 2.377 1.00 0.00 C ATOM 179 CG PHE A 11 -1.300 -2.720 3.349 1.00 0.00 C ATOM 180 CD1 PHE A 11 -1.798 -2.356 4.589 1.00 0.00 C ATOM 181 CD2 PHE A 11 0.008 -2.392 3.033 1.00 0.00 C ATOM 182 CE1 PHE A 11 -1.009 -1.678 5.496 1.00 0.00 C ATOM 183 CE2 PHE A 11 0.802 -1.712 3.936 1.00 0.00 C ATOM 184 CZ PHE A 11 0.294 -1.355 5.169 1.00 0.00 C ATOM 0 H PHE A 11 -1.586 -1.250 1.071 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.782 -3.204 0.971 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.747 -4.211 2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.528 -4.009 1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.816 -2.606 4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.411 -2.671 2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.409 -1.400 6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.820 -1.460 3.677 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.914 -0.824 5.877 1.00 0.00 H new ATOM 194 N TYR A 12 -5.166 -2.228 2.862 1.00 0.00 N ATOM 195 CA TYR A 12 -6.003 -1.552 3.832 1.00 0.00 C ATOM 196 C TYR A 12 -5.691 -2.127 5.180 1.00 0.00 C ATOM 197 O TYR A 12 -5.493 -3.339 5.298 1.00 0.00 O ATOM 198 CB TYR A 12 -7.482 -1.729 3.532 1.00 0.00 C ATOM 199 CG TYR A 12 -7.976 -0.615 2.657 1.00 0.00 C ATOM 200 CD1 TYR A 12 -8.456 0.563 3.199 1.00 0.00 C ATOM 201 CD2 TYR A 12 -7.930 -0.724 1.275 1.00 0.00 C ATOM 202 CE1 TYR A 12 -8.872 1.575 2.401 1.00 0.00 C ATOM 203 CE2 TYR A 12 -8.351 0.282 0.467 1.00 0.00 C ATOM 204 CZ TYR A 12 -8.827 1.446 1.027 1.00 0.00 C ATOM 205 OH TYR A 12 -9.252 2.477 0.219 1.00 0.00 O ATOM 0 H TYR A 12 -5.574 -3.071 2.457 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.796 -0.482 3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.647 -2.687 3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.049 -1.747 4.463 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.500 0.677 4.272 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.550 -1.632 0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.241 2.489 2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.313 0.170 -0.607 1.00 0.00 H new ATOM 0 HH TYR A 12 -8.936 2.327 -0.697 1.00 0.00 H new ATOM 215 N PHE A 13 -5.626 -1.295 6.197 1.00 0.00 N ATOM 216 CA PHE A 13 -5.322 -1.817 7.506 1.00 0.00 C ATOM 217 C PHE A 13 -6.426 -1.534 8.498 1.00 0.00 C ATOM 218 O PHE A 13 -6.704 -0.385 8.844 1.00 0.00 O ATOM 219 CB PHE A 13 -3.973 -1.321 7.997 1.00 0.00 C ATOM 220 CG PHE A 13 -3.361 -2.302 8.932 1.00 0.00 C ATOM 221 CD1 PHE A 13 -3.954 -2.539 10.146 1.00 0.00 C ATOM 222 CD2 PHE A 13 -2.201 -3.014 8.618 1.00 0.00 C ATOM 223 CE1 PHE A 13 -3.439 -3.409 10.985 1.00 0.00 C ATOM 224 CE2 PHE A 13 -1.676 -3.922 9.526 1.00 0.00 C ATOM 225 CZ PHE A 13 -2.324 -4.108 10.728 1.00 0.00 C ATOM 0 H PHE A 13 -5.774 -0.287 6.146 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.256 -2.901 7.417 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.309 -1.157 7.148 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.093 -0.360 8.498 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.853 -2.005 10.415 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.712 -2.858 7.668 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.939 -3.569 11.929 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.776 -4.473 9.295 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.938 -4.808 11.454 1.00 0.00 H new ATOM 235 N ASN A 14 -7.051 -2.621 8.950 1.00 0.00 N ATOM 236 CA ASN A 14 -8.125 -2.551 9.893 1.00 0.00 C ATOM 237 C ASN A 14 -7.645 -2.998 11.235 1.00 0.00 C ATOM 238 O ASN A 14 -6.460 -3.017 11.491 1.00 0.00 O ATOM 239 CB ASN A 14 -9.282 -3.458 9.498 1.00 0.00 C ATOM 240 CG ASN A 14 -10.627 -2.913 9.940 1.00 0.00 C ATOM 241 OD1 ASN A 14 -11.524 -3.658 10.331 1.00 0.00 O ATOM 242 ND2 ASN A 14 -10.756 -1.609 9.870 1.00 0.00 N ATOM 0 H ASN A 14 -6.813 -3.570 8.661 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.467 -1.516 9.915 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.284 -3.587 8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.132 -4.444 9.937 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.633 -1.168 10.148 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.980 -1.037 9.538 1.00 0.00 H new ATOM 249 N ARG A 15 -8.584 -3.383 12.075 1.00 0.00 N ATOM 250 CA ARG A 15 -8.276 -3.862 13.406 1.00 0.00 C ATOM 251 C ARG A 15 -7.908 -2.678 14.249 1.00 0.00 C ATOM 252 O ARG A 15 -6.931 -2.716 15.004 1.00 0.00 O ATOM 253 CB ARG A 15 -7.138 -4.856 13.318 1.00 0.00 C ATOM 254 CG ARG A 15 -7.506 -6.266 13.756 1.00 0.00 C ATOM 255 CD ARG A 15 -7.674 -6.360 15.268 1.00 0.00 C ATOM 256 NE ARG A 15 -8.870 -5.656 15.734 1.00 0.00 N ATOM 257 CZ ARG A 15 -10.119 -6.101 15.568 1.00 0.00 C ATOM 258 NH1 ARG A 15 -10.351 -7.259 14.953 1.00 0.00 N ATOM 259 NH2 ARG A 15 -11.143 -5.385 16.020 1.00 0.00 N ATOM 0 H ARG A 15 -9.580 -3.373 11.855 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.130 -4.367 13.858 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.778 -4.889 12.290 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.312 -4.501 13.933 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.432 -6.569 13.267 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.732 -6.962 13.432 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.734 -7.408 15.561 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.794 -5.942 15.757 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.741 -4.767 16.217 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.571 -7.816 14.603 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.308 -7.589 14.832 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.975 -4.497 16.493 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.097 -5.723 15.894 1.00 0.00 H new ATOM 273 N ILE A 16 -8.612 -1.546 13.993 1.00 0.00 N ATOM 274 CA ILE A 16 -8.252 -0.320 14.578 1.00 0.00 C ATOM 275 C ILE A 16 -6.829 0.044 14.105 1.00 0.00 C ATOM 276 O ILE A 16 -6.203 1.016 14.528 1.00 0.00 O ATOM 277 CB ILE A 16 -8.381 -0.504 16.006 1.00 0.00 C ATOM 278 CG1 ILE A 16 -9.724 0.075 16.397 1.00 0.00 C ATOM 279 CG2 ILE A 16 -7.204 0.104 16.658 1.00 0.00 C ATOM 280 CD1 ILE A 16 -9.935 1.520 15.968 1.00 0.00 C ATOM 0 H ILE A 16 -9.425 -1.502 13.379 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.885 0.518 14.287 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.380 -1.544 16.331 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -10.512 -0.539 15.961 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.832 0.011 17.480 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.280 -0.023 17.738 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.297 -0.382 16.298 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.165 1.167 16.420 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.922 1.854 16.288 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.172 2.150 16.425 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.862 1.592 14.883 1.00 0.00 H new ATOM 292 N THR A 17 -6.409 -0.801 13.182 1.00 0.00 N ATOM 293 CA THR A 17 -5.193 -0.835 12.479 1.00 0.00 C ATOM 294 C THR A 17 -4.206 -1.815 13.066 1.00 0.00 C ATOM 295 O THR A 17 -2.994 -1.606 13.141 1.00 0.00 O ATOM 296 CB THR A 17 -4.722 0.521 12.069 1.00 0.00 C ATOM 297 OG1 THR A 17 -4.259 1.318 13.162 1.00 0.00 O ATOM 298 CG2 THR A 17 -5.890 1.170 11.338 1.00 0.00 C ATOM 0 H THR A 17 -7.012 -1.570 12.889 1.00 0.00 H new ATOM 0 HA THR A 17 -5.358 -1.286 11.501 1.00 0.00 H new ATOM 0 HB THR A 17 -3.847 0.434 11.424 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.020 1.583 13.719 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.605 2.170 11.012 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.156 0.567 10.470 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.747 1.238 12.009 1.00 0.00 H new ATOM 306 N GLY A 18 -4.826 -2.978 13.325 1.00 0.00 N ATOM 307 CA GLY A 18 -4.162 -4.196 13.747 1.00 0.00 C ATOM 308 C GLY A 18 -4.252 -5.342 12.671 1.00 0.00 C ATOM 309 O GLY A 18 -3.619 -6.384 12.843 1.00 0.00 O ATOM 0 H GLY A 18 -5.837 -3.087 13.240 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.114 -3.980 13.955 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.607 -4.543 14.679 1.00 0.00 H new ATOM 313 N LYS A 19 -5.031 -5.132 11.542 1.00 0.00 N ATOM 314 CA LYS A 19 -5.172 -6.114 10.465 1.00 0.00 C ATOM 315 C LYS A 19 -4.976 -5.518 9.058 1.00 0.00 C ATOM 316 O LYS A 19 -5.183 -4.341 8.844 1.00 0.00 O ATOM 317 CB LYS A 19 -6.549 -6.691 10.532 1.00 0.00 C ATOM 318 CG LYS A 19 -7.501 -6.018 9.579 1.00 0.00 C ATOM 319 CD LYS A 19 -8.910 -6.590 9.680 1.00 0.00 C ATOM 320 CE LYS A 19 -9.003 -7.975 9.056 1.00 0.00 C ATOM 321 NZ LYS A 19 -9.243 -7.912 7.586 1.00 0.00 N ATOM 0 H LYS A 19 -5.561 -4.275 11.384 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.394 -6.863 10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.505 -7.756 10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.930 -6.597 11.549 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.528 -4.949 9.788 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.135 -6.134 8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.207 -6.642 10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.611 -5.919 9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.080 -8.522 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.810 -8.533 9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.111 -8.436 7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.349 -6.920 7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.437 -8.337 7.084 1.00 0.00 H new ATOM 335 N ARG A 20 -4.629 -6.371 8.094 1.00 0.00 N ATOM 336 CA ARG A 20 -4.448 -5.942 6.695 1.00 0.00 C ATOM 337 C ARG A 20 -5.248 -6.799 5.709 1.00 0.00 C ATOM 338 O ARG A 20 -5.512 -7.977 5.958 1.00 0.00 O ATOM 339 CB ARG A 20 -2.961 -5.912 6.346 1.00 0.00 C ATOM 340 CG ARG A 20 -2.386 -7.266 5.955 1.00 0.00 C ATOM 341 CD ARG A 20 -0.908 -7.364 6.297 1.00 0.00 C ATOM 342 NE ARG A 20 -0.689 -7.709 7.703 1.00 0.00 N ATOM 343 CZ ARG A 20 0.379 -8.374 8.154 1.00 0.00 C ATOM 344 NH1 ARG A 20 1.339 -8.764 7.318 1.00 0.00 N ATOM 345 NH2 ARG A 20 0.489 -8.648 9.450 1.00 0.00 N ATOM 0 H ARG A 20 -4.466 -7.366 8.250 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.847 -4.932 6.602 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.806 -5.213 5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.406 -5.527 7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.933 -8.057 6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.524 -7.426 4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.439 -8.116 5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.422 -6.413 6.078 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.396 -7.424 8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.264 -8.556 6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.150 -9.271 7.673 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.241 -8.351 10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.303 -9.155 9.797 1.00 0.00 H new ATOM 359 N GLN A 21 -5.675 -6.162 4.607 1.00 0.00 N ATOM 360 CA GLN A 21 -6.503 -6.819 3.588 1.00 0.00 C ATOM 361 C GLN A 21 -5.916 -6.830 2.195 1.00 0.00 C ATOM 362 O GLN A 21 -6.246 -7.694 1.380 1.00 0.00 O ATOM 363 CB GLN A 21 -7.800 -6.069 3.454 1.00 0.00 C ATOM 364 CG GLN A 21 -8.749 -6.271 4.566 1.00 0.00 C ATOM 365 CD GLN A 21 -9.978 -7.038 4.183 1.00 0.00 C ATOM 366 OE1 GLN A 21 -10.135 -8.210 4.525 1.00 0.00 O ATOM 367 NE2 GLN A 21 -10.858 -6.372 3.462 1.00 0.00 N ATOM 0 H GLN A 21 -5.458 -5.187 4.400 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.602 -7.848 3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.581 -5.004 3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -8.283 -6.369 2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.241 -6.798 5.373 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.047 -5.298 4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.678 -5.401 3.206 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.719 -6.827 3.160 1.00 0.00 H new ATOM 376 N PHE A 22 -5.159 -5.795 1.898 1.00 0.00 N ATOM 377 CA PHE A 22 -4.636 -5.588 0.546 1.00 0.00 C ATOM 378 C PHE A 22 -5.827 -5.208 -0.357 1.00 0.00 C ATOM 379 O PHE A 22 -5.813 -5.425 -1.571 1.00 0.00 O ATOM 380 CB PHE A 22 -3.984 -6.865 0.044 1.00 0.00 C ATOM 381 CG PHE A 22 -2.502 -6.749 -0.121 1.00 0.00 C ATOM 382 CD1 PHE A 22 -1.708 -6.500 0.976 1.00 0.00 C ATOM 383 CD2 PHE A 22 -1.903 -6.878 -1.360 1.00 0.00 C ATOM 384 CE1 PHE A 22 -0.347 -6.382 0.850 1.00 0.00 C ATOM 385 CE2 PHE A 22 -0.541 -6.762 -1.495 1.00 0.00 C ATOM 386 CZ PHE A 22 0.234 -6.515 -0.387 1.00 0.00 C ATOM 0 H PHE A 22 -4.886 -5.077 2.570 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.884 -4.799 0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.202 -7.674 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.428 -7.140 -0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.163 -6.396 1.950 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.512 -7.072 -2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.264 -6.186 1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.081 -6.864 -2.467 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.305 -6.425 -0.490 1.00 0.00 H new ATOM 396 N GLU A 23 -6.892 -4.709 0.299 1.00 0.00 N ATOM 397 CA GLU A 23 -8.157 -4.364 -0.329 1.00 0.00 C ATOM 398 C GLU A 23 -8.889 -3.273 0.368 1.00 0.00 C ATOM 399 O GLU A 23 -8.836 -3.159 1.582 1.00 0.00 O ATOM 400 CB GLU A 23 -9.076 -5.570 -0.222 1.00 0.00 C ATOM 401 CG GLU A 23 -10.434 -5.246 0.418 1.00 0.00 C ATOM 402 CD GLU A 23 -11.367 -6.441 0.494 1.00 0.00 C ATOM 403 OE1 GLU A 23 -10.879 -7.571 0.719 1.00 0.00 O ATOM 404 OE2 GLU A 23 -12.590 -6.246 0.330 1.00 0.00 O ATOM 0 H GLU A 23 -6.884 -4.535 1.304 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.920 -4.053 -1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.241 -5.982 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.581 -6.344 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.270 -4.858 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.917 -4.454 -0.154 1.00 0.00 H new ATOM 411 N ARG A 24 -9.710 -2.600 -0.416 1.00 0.00 N ATOM 412 CA ARG A 24 -10.615 -1.624 0.104 1.00 0.00 C ATOM 413 C ARG A 24 -11.808 -2.401 0.633 1.00 0.00 C ATOM 414 O ARG A 24 -12.601 -2.958 -0.129 1.00 0.00 O ATOM 415 CB ARG A 24 -10.999 -0.640 -0.978 1.00 0.00 C ATOM 416 CG ARG A 24 -11.897 0.445 -0.481 1.00 0.00 C ATOM 417 CD ARG A 24 -11.799 1.685 -1.345 1.00 0.00 C ATOM 418 NE ARG A 24 -11.952 2.908 -0.563 1.00 0.00 N ATOM 419 CZ ARG A 24 -13.110 3.337 -0.049 1.00 0.00 C ATOM 420 NH1 ARG A 24 -14.237 2.659 -0.257 1.00 0.00 N ATOM 421 NH2 ARG A 24 -13.142 4.454 0.672 1.00 0.00 N ATOM 0 H ARG A 24 -9.759 -2.723 -1.427 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.171 -1.030 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.096 -0.195 -1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.495 -1.174 -1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.927 0.089 -0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.634 0.695 0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.835 1.698 -1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.567 1.650 -2.118 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.120 3.474 -0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.223 1.804 -0.813 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.115 2.995 0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.284 4.982 0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.024 4.782 1.065 1.00 0.00 H new ATOM 435 N PRO A 25 -11.906 -2.482 1.961 1.00 0.00 N ATOM 436 CA PRO A 25 -12.959 -3.236 2.650 1.00 0.00 C ATOM 437 C PRO A 25 -14.344 -2.725 2.351 1.00 0.00 C ATOM 438 O PRO A 25 -14.516 -1.613 1.850 1.00 0.00 O ATOM 439 CB PRO A 25 -12.598 -3.102 4.115 1.00 0.00 C ATOM 440 CG PRO A 25 -11.178 -2.674 4.131 1.00 0.00 C ATOM 441 CD PRO A 25 -10.980 -1.847 2.905 1.00 0.00 C ATOM 0 HA PRO A 25 -12.999 -4.274 2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.235 -2.370 4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.730 -4.048 4.641 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.955 -2.098 5.029 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.511 -3.536 4.131 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.225 -0.799 3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.949 -1.880 2.552 1.00 0.00 H new ATOM 449 N SER A 26 -15.313 -3.590 2.643 1.00 0.00 N ATOM 450 CA SER A 26 -16.738 -3.338 2.425 1.00 0.00 C ATOM 451 C SER A 26 -17.074 -1.885 2.396 1.00 0.00 C ATOM 452 O SER A 26 -17.800 -1.407 1.521 1.00 0.00 O ATOM 453 CB SER A 26 -17.537 -4.005 3.510 1.00 0.00 C ATOM 454 OG SER A 26 -18.923 -3.729 3.390 1.00 0.00 O ATOM 0 H SER A 26 -15.126 -4.508 3.047 1.00 0.00 H new ATOM 0 HA SER A 26 -16.987 -3.750 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.376 -5.082 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.182 -3.666 4.483 1.00 0.00 H new ATOM 0 HG SER A 26 -19.410 -4.180 4.111 1.00 0.00 H new ATOM 460 N ASP A 27 -16.485 -1.200 3.334 1.00 0.00 N ATOM 461 CA ASP A 27 -16.626 0.227 3.450 1.00 0.00 C ATOM 462 C ASP A 27 -18.031 0.668 3.886 1.00 0.00 C ATOM 463 O ASP A 27 -19.021 0.021 3.480 1.00 0.00 O ATOM 464 CB ASP A 27 -16.224 0.791 2.117 1.00 0.00 C ATOM 465 CG ASP A 27 -17.168 1.846 1.566 1.00 0.00 C ATOM 466 OD1 ASP A 27 -16.977 3.038 1.887 1.00 0.00 O ATOM 467 OD2 ASP A 27 -18.094 1.480 0.813 1.00 0.00 O ATOM 468 OXT ASP A 27 -18.124 1.661 4.637 1.00 0.00 O ATOM 0 H ASP A 27 -15.888 -1.618 4.047 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.987 0.610 4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.228 1.225 2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.153 -0.025 1.398 1.00 0.00 H new TER 473 ASP A 27 ATOM 474 N LYS B 1 -16.890 6.719 3.204 1.00 0.00 N ATOM 475 CA LYS B 1 -15.453 6.444 3.495 1.00 0.00 C ATOM 476 C LYS B 1 -15.264 5.074 4.135 1.00 0.00 C ATOM 477 O LYS B 1 -16.233 4.365 4.421 1.00 0.00 O ATOM 478 CB LYS B 1 -14.912 7.528 4.442 1.00 0.00 C ATOM 479 CG LYS B 1 -14.926 8.945 3.880 1.00 0.00 C ATOM 480 CD LYS B 1 -15.000 9.971 4.997 1.00 0.00 C ATOM 481 CE LYS B 1 -14.847 11.387 4.475 1.00 0.00 C ATOM 482 NZ LYS B 1 -15.864 11.720 3.437 1.00 0.00 N ATOM 0 H1 LYS B 1 -17.006 6.924 2.191 1.00 0.00 H new ATOM 0 H2 LYS B 1 -17.461 5.887 3.457 1.00 0.00 H new ATOM 0 H3 LYS B 1 -17.206 7.538 3.761 1.00 0.00 H new ATOM 0 HA LYS B 1 -14.906 6.455 2.552 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -15.499 7.512 5.360 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -13.888 7.272 4.714 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -14.028 9.113 3.285 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -15.779 9.067 3.212 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -15.955 9.876 5.515 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -14.219 9.768 5.729 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -14.934 12.089 5.304 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -13.849 11.511 4.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -15.797 12.730 3.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -15.691 11.149 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -16.815 11.514 3.804 1.00 0.00 H new ATOM 498 N LEU B 2 -14.001 4.715 4.354 1.00 0.00 N ATOM 499 CA LEU B 2 -13.642 3.443 4.957 1.00 0.00 C ATOM 500 C LEU B 2 -14.378 3.142 6.250 1.00 0.00 C ATOM 501 O LEU B 2 -14.717 4.034 7.030 1.00 0.00 O ATOM 502 CB LEU B 2 -12.182 3.444 5.307 1.00 0.00 C ATOM 503 CG LEU B 2 -11.209 3.214 4.175 1.00 0.00 C ATOM 504 CD1 LEU B 2 -9.819 3.415 4.706 1.00 0.00 C ATOM 505 CD2 LEU B 2 -11.343 1.815 3.626 1.00 0.00 C ATOM 0 H LEU B 2 -13.201 5.301 4.117 1.00 0.00 H new ATOM 0 HA LEU B 2 -13.909 2.691 4.214 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -11.944 4.402 5.769 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -12.013 2.675 6.061 1.00 0.00 H new ATOM 0 HG LEU B 2 -11.420 3.915 3.367 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -9.097 3.254 3.906 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -9.718 4.431 5.087 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -9.631 2.706 5.512 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -10.632 1.674 2.812 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -11.138 1.093 4.416 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -12.356 1.666 3.253 1.00 0.00 H new ATOM 517 N PRO B 3 -14.544 1.842 6.510 1.00 0.00 N ATOM 518 CA PRO B 3 -15.142 1.323 7.738 1.00 0.00 C ATOM 519 C PRO B 3 -14.236 1.597 8.913 1.00 0.00 C ATOM 520 O PRO B 3 -13.038 1.826 8.748 1.00 0.00 O ATOM 521 CB PRO B 3 -15.253 -0.174 7.509 1.00 0.00 C ATOM 522 CG PRO B 3 -15.004 -0.344 6.059 1.00 0.00 C ATOM 523 CD PRO B 3 -14.090 0.764 5.647 1.00 0.00 C ATOM 0 HA PRO B 3 -16.105 1.785 7.956 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -14.523 -0.722 8.105 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -16.238 -0.547 7.789 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -14.552 -1.315 5.855 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -15.938 -0.304 5.499 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -13.042 0.516 5.815 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -14.194 1.011 4.591 1.00 0.00 H new ATOM 531 N PRO B 4 -14.792 1.588 10.110 1.00 0.00 N ATOM 532 CA PRO B 4 -14.059 1.839 11.334 1.00 0.00 C ATOM 533 C PRO B 4 -12.776 1.075 11.455 1.00 0.00 C ATOM 534 O PRO B 4 -12.645 -0.058 10.988 1.00 0.00 O ATOM 535 CB PRO B 4 -15.055 1.445 12.360 1.00 0.00 C ATOM 536 CG PRO B 4 -16.299 1.883 11.748 1.00 0.00 C ATOM 537 CD PRO B 4 -16.201 1.344 10.405 1.00 0.00 C ATOM 0 HA PRO B 4 -13.710 2.869 11.413 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -15.047 0.371 12.547 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -14.874 1.936 13.316 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -17.169 1.495 12.277 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -16.387 2.969 11.743 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -16.453 0.284 10.366 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -16.863 1.855 9.706 1.00 0.00 H new ATOM 545 N GLY B 5 -11.836 1.729 12.104 1.00 0.00 N ATOM 546 CA GLY B 5 -10.541 1.160 12.322 1.00 0.00 C ATOM 547 C GLY B 5 -9.750 0.836 11.049 1.00 0.00 C ATOM 548 O GLY B 5 -8.709 0.191 11.144 1.00 0.00 O ATOM 0 H GLY B 5 -11.956 2.665 12.490 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -9.955 1.850 12.929 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -10.656 0.245 12.902 1.00 0.00 H new ATOM 552 N TRP B 6 -10.221 1.261 9.856 1.00 0.00 N ATOM 553 CA TRP B 6 -9.504 0.971 8.610 1.00 0.00 C ATOM 554 C TRP B 6 -8.688 2.163 8.162 1.00 0.00 C ATOM 555 O TRP B 6 -9.064 3.314 8.398 1.00 0.00 O ATOM 556 CB TRP B 6 -10.476 0.696 7.459 1.00 0.00 C ATOM 557 CG TRP B 6 -10.863 -0.704 7.261 1.00 0.00 C ATOM 558 CD1 TRP B 6 -12.114 -1.146 7.288 1.00 0.00 C ATOM 559 CD2 TRP B 6 -10.054 -1.819 6.971 1.00 0.00 C ATOM 560 NE1 TRP B 6 -12.158 -2.488 7.147 1.00 0.00 N ATOM 561 CE2 TRP B 6 -10.901 -2.936 6.933 1.00 0.00 C ATOM 562 CE3 TRP B 6 -8.706 -2.004 6.768 1.00 0.00 C ATOM 563 CZ2 TRP B 6 -10.420 -4.211 6.702 1.00 0.00 C ATOM 564 CZ3 TRP B 6 -8.238 -3.268 6.530 1.00 0.00 C ATOM 565 CH2 TRP B 6 -9.072 -4.337 6.506 1.00 0.00 C ATOM 0 H TRP B 6 -11.081 1.797 9.737 1.00 0.00 H new ATOM 0 HA TRP B 6 -8.877 0.105 8.823 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -11.380 1.281 7.627 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -10.026 1.061 6.536 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -12.983 -0.515 7.407 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -12.997 -3.066 7.194 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -8.027 -1.164 6.796 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -11.077 -5.067 6.677 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -7.182 -3.417 6.358 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -8.659 -5.319 6.327 1.00 0.00 H new ATOM 576 N GLU B 7 -7.623 1.883 7.444 1.00 0.00 N ATOM 577 CA GLU B 7 -6.806 2.936 6.874 1.00 0.00 C ATOM 578 C GLU B 7 -6.090 2.434 5.630 1.00 0.00 C ATOM 579 O GLU B 7 -5.371 1.434 5.670 1.00 0.00 O ATOM 580 CB GLU B 7 -5.817 3.502 7.902 1.00 0.00 C ATOM 581 CG GLU B 7 -4.606 2.615 8.162 1.00 0.00 C ATOM 582 CD GLU B 7 -3.609 3.252 9.113 1.00 0.00 C ATOM 583 OE1 GLU B 7 -3.160 4.385 8.834 1.00 0.00 O ATOM 584 OE2 GLU B 7 -3.275 2.618 10.136 1.00 0.00 O ATOM 0 H GLU B 7 -7.301 0.937 7.240 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.463 3.755 6.582 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -5.471 4.477 7.558 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -6.342 3.664 8.843 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -4.940 1.663 8.575 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -4.111 2.396 7.216 1.00 0.00 H new ATOM 591 N LYS B 8 -6.302 3.134 4.518 1.00 0.00 N ATOM 592 CA LYS B 8 -5.685 2.755 3.260 1.00 0.00 C ATOM 593 C LYS B 8 -4.215 3.179 3.262 1.00 0.00 C ATOM 594 O LYS B 8 -3.907 4.373 3.303 1.00 0.00 O ATOM 595 CB LYS B 8 -6.407 3.420 2.061 1.00 0.00 C ATOM 596 CG LYS B 8 -6.048 2.789 0.718 1.00 0.00 C ATOM 597 CD LYS B 8 -6.420 3.695 -0.446 1.00 0.00 C ATOM 598 CE LYS B 8 -5.235 4.537 -0.898 1.00 0.00 C ATOM 599 NZ LYS B 8 -4.418 3.844 -1.935 1.00 0.00 N ATOM 0 H LYS B 8 -6.895 3.963 4.467 1.00 0.00 H new ATOM 0 HA LYS B 8 -5.763 1.673 3.155 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -7.485 3.352 2.211 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -6.155 4.480 2.036 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -4.979 2.579 0.689 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -6.563 1.834 0.615 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -6.777 3.090 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -7.241 4.349 -0.152 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -5.596 5.486 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -4.607 4.770 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -3.408 4.015 -1.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -4.608 2.822 -1.901 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -4.667 4.211 -2.876 1.00 0.00 H new ATOM 613 N ARG B 9 -3.320 2.202 3.220 1.00 0.00 N ATOM 614 CA ARG B 9 -1.881 2.469 3.218 1.00 0.00 C ATOM 615 C ARG B 9 -1.217 1.788 2.026 1.00 0.00 C ATOM 616 O ARG B 9 -1.288 0.566 1.887 1.00 0.00 O ATOM 617 CB ARG B 9 -1.250 1.981 4.527 1.00 0.00 C ATOM 618 CG ARG B 9 0.187 2.438 4.723 1.00 0.00 C ATOM 619 CD ARG B 9 0.737 1.983 6.065 1.00 0.00 C ATOM 620 NE ARG B 9 -0.016 2.481 7.168 1.00 0.00 N ATOM 621 CZ ARG B 9 0.407 3.429 7.977 1.00 0.00 C ATOM 622 NH1 ARG B 9 1.466 4.184 7.694 1.00 0.00 N ATOM 623 NH2 ARG B 9 -0.261 3.603 9.068 1.00 0.00 N ATOM 0 H ARG B 9 -3.562 1.212 3.187 1.00 0.00 H new ATOM 0 HA ARG B 9 -1.726 3.545 3.134 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.852 2.336 5.364 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -1.282 0.892 4.551 1.00 0.00 H new ATOM 0 HG2 ARG B 9 0.809 2.042 3.920 1.00 0.00 H new ATOM 0 HG3 ARG B 9 0.237 3.525 4.658 1.00 0.00 H new ATOM 0 HD2 ARG B 9 0.745 0.894 6.099 1.00 0.00 H new ATOM 0 HD3 ARG B 9 1.772 2.312 6.159 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.937 2.079 7.341 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.979 4.037 6.825 1.00 0.00 H new ATOM 0 HH12 ARG B 9 1.764 4.910 8.346 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -1.073 3.019 9.267 1.00 0.00 H new ATOM 0 HH22 ARG B 9 0.024 4.324 9.731 1.00 0.00 H new ATOM 637 N CYS B 10 -0.586 2.580 1.154 1.00 0.00 N ATOM 638 CA CYS B 10 0.063 2.024 -0.031 1.00 0.00 C ATOM 639 C CYS B 10 1.536 2.386 -0.131 1.00 0.00 C ATOM 640 O CYS B 10 1.899 3.561 -0.225 1.00 0.00 O ATOM 641 CB CYS B 10 -0.657 2.485 -1.306 1.00 0.00 C ATOM 642 SG CYS B 10 0.134 1.941 -2.854 1.00 0.00 S ATOM 0 H CYS B 10 -0.512 3.593 1.246 1.00 0.00 H new ATOM 0 HA CYS B 10 -0.003 0.941 0.070 1.00 0.00 H new ATOM 0 HB2 CYS B 10 -1.681 2.113 -1.285 1.00 0.00 H new ATOM 0 HB3 CYS B 10 -0.713 3.574 -1.304 1.00 0.00 H new ATOM 0 HG CYS B 10 -0.738 1.964 -3.818 1.00 0.00 H new ATOM 647 N PHE B 11 2.373 1.350 -0.163 1.00 0.00 N ATOM 648 CA PHE B 11 3.806 1.522 -0.315 1.00 0.00 C ATOM 649 C PHE B 11 4.259 0.855 -1.610 1.00 0.00 C ATOM 650 O PHE B 11 3.815 -0.247 -1.937 1.00 0.00 O ATOM 651 CB PHE B 11 4.592 0.920 0.865 1.00 0.00 C ATOM 652 CG PHE B 11 4.520 -0.581 0.948 1.00 0.00 C ATOM 653 CD1 PHE B 11 5.310 -1.376 0.113 1.00 0.00 C ATOM 654 CD2 PHE B 11 3.670 -1.204 1.857 1.00 0.00 C ATOM 655 CE1 PHE B 11 5.248 -2.761 0.186 1.00 0.00 C ATOM 656 CE2 PHE B 11 3.605 -2.590 1.935 1.00 0.00 C ATOM 657 CZ PHE B 11 4.396 -3.369 1.098 1.00 0.00 C ATOM 0 H PHE B 11 2.074 0.378 -0.085 1.00 0.00 H new ATOM 0 HA PHE B 11 4.010 2.592 -0.340 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.637 1.219 0.782 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.212 1.343 1.795 1.00 0.00 H new ATOM 0 HD1 PHE B 11 5.976 -0.908 -0.597 1.00 0.00 H new ATOM 0 HD2 PHE B 11 3.054 -0.603 2.509 1.00 0.00 H new ATOM 0 HE1 PHE B 11 5.862 -3.365 -0.466 1.00 0.00 H new ATOM 0 HE2 PHE B 11 2.941 -3.061 2.645 1.00 0.00 H new ATOM 0 HZ PHE B 11 4.348 -4.446 1.157 1.00 0.00 H new ATOM 667 N TYR B 12 5.160 1.503 -2.326 1.00 0.00 N ATOM 668 CA TYR B 12 5.693 0.942 -3.551 1.00 0.00 C ATOM 669 C TYR B 12 6.883 0.074 -3.203 1.00 0.00 C ATOM 670 O TYR B 12 7.683 0.450 -2.345 1.00 0.00 O ATOM 671 CB TYR B 12 6.121 2.040 -4.518 1.00 0.00 C ATOM 672 CG TYR B 12 5.000 2.412 -5.457 1.00 0.00 C ATOM 673 CD1 TYR B 12 4.045 3.363 -5.101 1.00 0.00 C ATOM 674 CD2 TYR B 12 4.882 1.815 -6.700 1.00 0.00 C ATOM 675 CE1 TYR B 12 3.026 3.706 -5.949 1.00 0.00 C ATOM 676 CE2 TYR B 12 3.882 2.151 -7.569 1.00 0.00 C ATOM 677 CZ TYR B 12 2.942 3.108 -7.195 1.00 0.00 C ATOM 678 OH TYR B 12 1.915 3.445 -8.044 1.00 0.00 O ATOM 0 H TYR B 12 5.537 2.418 -2.079 1.00 0.00 H new ATOM 0 HA TYR B 12 4.919 0.351 -4.040 1.00 0.00 H new ATOM 0 HB2 TYR B 12 6.435 2.920 -3.956 1.00 0.00 H new ATOM 0 HB3 TYR B 12 6.984 1.705 -5.093 1.00 0.00 H new ATOM 0 HD1 TYR B 12 4.110 3.840 -4.134 1.00 0.00 H new ATOM 0 HD2 TYR B 12 5.600 1.063 -6.991 1.00 0.00 H new ATOM 0 HE1 TYR B 12 2.292 4.439 -5.648 1.00 0.00 H new ATOM 0 HE2 TYR B 12 3.821 1.678 -8.538 1.00 0.00 H new ATOM 0 HH TYR B 12 1.264 4.000 -7.566 1.00 0.00 H new ATOM 688 N PHE B 13 7.022 -1.069 -3.855 1.00 0.00 N ATOM 689 CA PHE B 13 8.162 -1.931 -3.582 1.00 0.00 C ATOM 690 C PHE B 13 9.020 -2.030 -4.803 1.00 0.00 C ATOM 691 O PHE B 13 8.579 -2.498 -5.851 1.00 0.00 O ATOM 692 CB PHE B 13 7.749 -3.322 -3.134 1.00 0.00 C ATOM 693 CG PHE B 13 8.872 -4.046 -2.451 1.00 0.00 C ATOM 694 CD1 PHE B 13 9.229 -3.690 -1.163 1.00 0.00 C ATOM 695 CD2 PHE B 13 9.568 -5.083 -3.080 1.00 0.00 C ATOM 696 CE1 PHE B 13 10.250 -4.341 -0.502 1.00 0.00 C ATOM 697 CE2 PHE B 13 10.587 -5.750 -2.429 1.00 0.00 C ATOM 698 CZ PHE B 13 10.933 -5.382 -1.132 1.00 0.00 C ATOM 0 H PHE B 13 6.375 -1.417 -4.563 1.00 0.00 H new ATOM 0 HA PHE B 13 8.720 -1.480 -2.761 1.00 0.00 H new ATOM 0 HB2 PHE B 13 6.899 -3.248 -2.456 1.00 0.00 H new ATOM 0 HB3 PHE B 13 7.418 -3.898 -3.998 1.00 0.00 H new ATOM 0 HD1 PHE B 13 8.700 -2.890 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE B 13 9.305 -5.366 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE B 13 10.520 -4.046 0.501 1.00 0.00 H new ATOM 0 HE2 PHE B 13 11.113 -6.553 -2.924 1.00 0.00 H new ATOM 0 HZ PHE B 13 11.727 -5.900 -0.615 1.00 0.00 H new ATOM 708 N ASN B 14 10.252 -1.588 -4.660 1.00 0.00 N ATOM 709 CA ASN B 14 11.172 -1.621 -5.754 1.00 0.00 C ATOM 710 C ASN B 14 11.926 -2.918 -5.677 1.00 0.00 C ATOM 711 O ASN B 14 13.067 -2.927 -5.258 1.00 0.00 O ATOM 712 CB ASN B 14 12.141 -0.429 -5.701 1.00 0.00 C ATOM 713 CG ASN B 14 12.841 -0.132 -7.020 1.00 0.00 C ATOM 714 OD1 ASN B 14 13.951 0.396 -7.033 1.00 0.00 O ATOM 715 ND2 ASN B 14 12.200 -0.453 -8.130 1.00 0.00 N ATOM 0 H ASN B 14 10.630 -1.204 -3.794 1.00 0.00 H new ATOM 0 HA ASN B 14 10.630 -1.549 -6.697 1.00 0.00 H new ATOM 0 HB2 ASN B 14 11.591 0.458 -5.387 1.00 0.00 H new ATOM 0 HB3 ASN B 14 12.895 -0.622 -4.938 1.00 0.00 H new ATOM 0 HD21 ASN B 14 12.625 -0.264 -9.038 1.00 0.00 H new ATOM 0 HD22 ASN B 14 11.280 -0.890 -8.079 1.00 0.00 H new ATOM 722 N ARG B 15 11.261 -4.019 -6.023 1.00 0.00 N ATOM 723 CA ARG B 15 11.876 -5.342 -5.928 1.00 0.00 C ATOM 724 C ARG B 15 13.307 -5.365 -6.481 1.00 0.00 C ATOM 725 O ARG B 15 14.085 -6.242 -6.100 1.00 0.00 O ATOM 726 CB ARG B 15 10.991 -6.439 -6.539 1.00 0.00 C ATOM 727 CG ARG B 15 11.727 -7.415 -7.446 1.00 0.00 C ATOM 728 CD ARG B 15 10.802 -8.518 -7.945 1.00 0.00 C ATOM 729 NE ARG B 15 9.760 -8.001 -8.835 1.00 0.00 N ATOM 730 CZ ARG B 15 9.956 -7.685 -10.119 1.00 0.00 C ATOM 731 NH1 ARG B 15 11.156 -7.830 -10.677 1.00 0.00 N ATOM 732 NH2 ARG B 15 8.947 -7.222 -10.848 1.00 0.00 N ATOM 0 H ARG B 15 10.302 -4.022 -6.370 1.00 0.00 H new ATOM 0 HA ARG B 15 11.959 -5.569 -4.865 1.00 0.00 H new ATOM 0 HB2 ARG B 15 10.519 -6.999 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG B 15 10.191 -5.967 -7.109 1.00 0.00 H new ATOM 0 HG2 ARG B 15 12.146 -6.878 -8.297 1.00 0.00 H new ATOM 0 HG3 ARG B 15 12.563 -7.857 -6.904 1.00 0.00 H new ATOM 0 HD2 ARG B 15 11.388 -9.271 -8.472 1.00 0.00 H new ATOM 0 HD3 ARG B 15 10.337 -9.014 -7.093 1.00 0.00 H new ATOM 0 HE ARG B 15 8.824 -7.874 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG B 15 11.936 -8.185 -10.124 1.00 0.00 H new ATOM 0 HH12 ARG B 15 11.295 -7.586 -11.658 1.00 0.00 H new ATOM 0 HH21 ARG B 15 8.025 -7.108 -10.428 1.00 0.00 H new ATOM 0 HH22 ARG B 15 9.095 -6.980 -11.828 1.00 0.00 H new ATOM 746 N ILE B 16 13.700 -4.373 -7.304 1.00 0.00 N ATOM 747 CA ILE B 16 15.036 -4.302 -7.766 1.00 0.00 C ATOM 748 C ILE B 16 15.938 -4.045 -6.586 1.00 0.00 C ATOM 749 O ILE B 16 16.934 -4.730 -6.349 1.00 0.00 O ATOM 750 CB ILE B 16 15.192 -3.165 -8.716 1.00 0.00 C ATOM 751 CG1 ILE B 16 14.354 -3.404 -9.959 1.00 0.00 C ATOM 752 CG2 ILE B 16 16.649 -3.035 -9.002 1.00 0.00 C ATOM 753 CD1 ILE B 16 14.104 -4.853 -10.346 1.00 0.00 C ATOM 0 H ILE B 16 13.090 -3.629 -7.642 1.00 0.00 H new ATOM 0 HA ILE B 16 15.291 -5.237 -8.265 1.00 0.00 H new ATOM 0 HB ILE B 16 14.831 -2.226 -8.296 1.00 0.00 H new ATOM 0 HG12 ILE B 16 13.389 -2.918 -9.817 1.00 0.00 H new ATOM 0 HG13 ILE B 16 14.841 -2.907 -10.798 1.00 0.00 H new ATOM 0 HG21 ILE B 16 16.811 -2.211 -9.697 1.00 0.00 H new ATOM 0 HG22 ILE B 16 17.186 -2.838 -8.074 1.00 0.00 H new ATOM 0 HG23 ILE B 16 17.017 -3.961 -9.445 1.00 0.00 H new ATOM 0 HD11 ILE B 16 13.494 -4.888 -11.249 1.00 0.00 H new ATOM 0 HD12 ILE B 16 15.056 -5.350 -10.532 1.00 0.00 H new ATOM 0 HD13 ILE B 16 13.582 -5.361 -9.535 1.00 0.00 H new ATOM 765 N THR B 17 15.515 -3.040 -5.842 1.00 0.00 N ATOM 766 CA THR B 17 16.164 -2.602 -4.644 1.00 0.00 C ATOM 767 C THR B 17 15.463 -3.175 -3.441 1.00 0.00 C ATOM 768 O THR B 17 15.717 -2.764 -2.308 1.00 0.00 O ATOM 769 CB THR B 17 16.156 -1.092 -4.643 1.00 0.00 C ATOM 770 OG1 THR B 17 14.879 -0.582 -4.295 1.00 0.00 O ATOM 771 CG2 THR B 17 16.539 -0.597 -6.008 1.00 0.00 C ATOM 0 H THR B 17 14.683 -2.496 -6.072 1.00 0.00 H new ATOM 0 HA THR B 17 17.196 -2.952 -4.602 1.00 0.00 H new ATOM 0 HB THR B 17 16.873 -0.744 -3.899 1.00 0.00 H new ATOM 0 HG1 THR B 17 14.674 0.196 -4.854 1.00 0.00 H new ATOM 0 HG21 THR B 17 16.535 0.493 -6.014 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.536 -0.958 -6.259 1.00 0.00 H new ATOM 0 HG23 THR B 17 15.824 -0.966 -6.743 1.00 0.00 H new ATOM 779 N GLY B 18 14.529 -4.094 -3.741 1.00 0.00 N ATOM 780 CA GLY B 18 13.669 -4.700 -2.744 1.00 0.00 C ATOM 781 C GLY B 18 13.398 -3.746 -1.604 1.00 0.00 C ATOM 782 O GLY B 18 13.271 -4.151 -0.447 1.00 0.00 O ATOM 0 H GLY B 18 14.359 -4.430 -4.689 1.00 0.00 H new ATOM 0 HA2 GLY B 18 12.727 -4.997 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY B 18 14.136 -5.607 -2.360 1.00 0.00 H new ATOM 786 N LYS B 19 13.340 -2.457 -1.950 1.00 0.00 N ATOM 787 CA LYS B 19 13.108 -1.413 -0.984 1.00 0.00 C ATOM 788 C LYS B 19 11.706 -0.848 -1.137 1.00 0.00 C ATOM 789 O LYS B 19 11.032 -1.098 -2.136 1.00 0.00 O ATOM 790 CB LYS B 19 14.187 -0.346 -1.100 1.00 0.00 C ATOM 791 CG LYS B 19 13.771 0.826 -1.936 1.00 0.00 C ATOM 792 CD LYS B 19 14.418 2.120 -1.467 1.00 0.00 C ATOM 793 CE LYS B 19 13.705 2.693 -0.252 1.00 0.00 C ATOM 794 NZ LYS B 19 14.204 4.052 0.100 1.00 0.00 N ATOM 0 H LYS B 19 13.454 -2.123 -2.907 1.00 0.00 H new ATOM 0 HA LYS B 19 13.171 -1.827 0.022 1.00 0.00 H new ATOM 0 HB2 LYS B 19 14.452 0.004 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS B 19 15.084 -0.791 -1.531 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.040 0.643 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS B 19 12.687 0.930 -1.901 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.464 1.937 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.403 2.850 -2.277 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.634 2.740 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS B 19 13.844 2.025 0.598 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.691 4.405 0.933 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 15.221 4.004 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.049 4.697 -0.701 1.00 0.00 H new ATOM 808 N ARG B 20 11.247 -0.140 -0.115 1.00 0.00 N ATOM 809 CA ARG B 20 9.888 0.391 -0.126 1.00 0.00 C ATOM 810 C ARG B 20 9.772 1.902 0.025 1.00 0.00 C ATOM 811 O ARG B 20 10.567 2.558 0.702 1.00 0.00 O ATOM 812 CB ARG B 20 9.065 -0.302 0.963 1.00 0.00 C ATOM 813 CG ARG B 20 9.299 0.248 2.363 1.00 0.00 C ATOM 814 CD ARG B 20 8.206 -0.199 3.322 1.00 0.00 C ATOM 815 NE ARG B 20 8.299 -1.626 3.633 1.00 0.00 N ATOM 816 CZ ARG B 20 8.910 -2.124 4.714 1.00 0.00 C ATOM 817 NH1 ARG B 20 9.494 -1.317 5.598 1.00 0.00 N ATOM 818 NH2 ARG B 20 8.939 -3.438 4.908 1.00 0.00 N ATOM 0 H ARG B 20 11.786 0.079 0.723 1.00 0.00 H new ATOM 0 HA ARG B 20 9.501 0.177 -1.122 1.00 0.00 H new ATOM 0 HB2 ARG B 20 8.007 -0.207 0.719 1.00 0.00 H new ATOM 0 HB3 ARG B 20 9.299 -1.367 0.959 1.00 0.00 H new ATOM 0 HG2 ARG B 20 10.268 -0.088 2.731 1.00 0.00 H new ATOM 0 HG3 ARG B 20 9.332 1.337 2.328 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.275 0.378 4.244 1.00 0.00 H new ATOM 0 HD3 ARG B 20 7.231 0.014 2.885 1.00 0.00 H new ATOM 0 HE ARG B 20 7.870 -2.284 2.983 1.00 0.00 H new ATOM 0 HH11 ARG B 20 9.479 -0.307 5.455 1.00 0.00 H new ATOM 0 HH12 ARG B 20 9.957 -1.709 6.418 1.00 0.00 H new ATOM 0 HH21 ARG B 20 8.497 -4.063 4.234 1.00 0.00 H new ATOM 0 HH22 ARG B 20 9.404 -3.822 5.731 1.00 0.00 H new ATOM 832 N GLN B 21 8.723 2.418 -0.616 1.00 0.00 N ATOM 833 CA GLN B 21 8.368 3.826 -0.607 1.00 0.00 C ATOM 834 C GLN B 21 6.870 3.957 -0.331 1.00 0.00 C ATOM 835 O GLN B 21 6.141 2.980 -0.434 1.00 0.00 O ATOM 836 CB GLN B 21 8.592 4.414 -1.980 1.00 0.00 C ATOM 837 CG GLN B 21 9.851 4.006 -2.664 1.00 0.00 C ATOM 838 CD GLN B 21 10.672 5.165 -3.158 1.00 0.00 C ATOM 839 OE1 GLN B 21 11.777 5.413 -2.675 1.00 0.00 O ATOM 840 NE2 GLN B 21 10.139 5.886 -4.127 1.00 0.00 N ATOM 0 H GLN B 21 8.083 1.848 -1.169 1.00 0.00 H new ATOM 0 HA GLN B 21 8.970 4.333 0.147 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.750 4.137 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN B 21 8.583 5.501 -1.895 1.00 0.00 H new ATOM 0 HG2 GLN B 21 10.453 3.413 -1.975 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.604 3.361 -3.507 1.00 0.00 H new ATOM 0 HE21 GLN B 21 9.220 5.643 -4.497 1.00 0.00 H new ATOM 0 HE22 GLN B 21 10.646 6.686 -4.506 1.00 0.00 H new ATOM 849 N PHE B 22 6.399 5.170 -0.083 1.00 0.00 N ATOM 850 CA PHE B 22 4.965 5.416 0.078 1.00 0.00 C ATOM 851 C PHE B 22 4.513 6.274 -1.114 1.00 0.00 C ATOM 852 O PHE B 22 3.654 7.152 -1.004 1.00 0.00 O ATOM 853 CB PHE B 22 4.688 6.127 1.394 1.00 0.00 C ATOM 854 CG PHE B 22 4.299 5.187 2.498 1.00 0.00 C ATOM 855 CD1 PHE B 22 4.996 3.997 2.687 1.00 0.00 C ATOM 856 CD2 PHE B 22 3.231 5.475 3.343 1.00 0.00 C ATOM 857 CE1 PHE B 22 4.640 3.120 3.691 1.00 0.00 C ATOM 858 CE2 PHE B 22 2.872 4.601 4.350 1.00 0.00 C ATOM 859 CZ PHE B 22 3.578 3.424 4.521 1.00 0.00 C ATOM 0 H PHE B 22 6.983 6.001 0.012 1.00 0.00 H new ATOM 0 HA PHE B 22 4.413 4.476 0.101 1.00 0.00 H new ATOM 0 HB2 PHE B 22 5.576 6.683 1.694 1.00 0.00 H new ATOM 0 HB3 PHE B 22 3.890 6.855 1.246 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.826 3.757 2.039 1.00 0.00 H new ATOM 0 HD2 PHE B 22 2.677 6.392 3.210 1.00 0.00 H new ATOM 0 HE1 PHE B 22 5.189 2.200 3.827 1.00 0.00 H new ATOM 0 HE2 PHE B 22 2.043 4.836 5.002 1.00 0.00 H new ATOM 0 HZ PHE B 22 3.298 2.739 5.307 1.00 0.00 H new ATOM 869 N GLU B 23 5.198 6.029 -2.231 1.00 0.00 N ATOM 870 CA GLU B 23 5.043 6.750 -3.484 1.00 0.00 C ATOM 871 C GLU B 23 5.290 5.888 -4.677 1.00 0.00 C ATOM 872 O GLU B 23 6.002 4.904 -4.582 1.00 0.00 O ATOM 873 CB GLU B 23 6.138 7.813 -3.525 1.00 0.00 C ATOM 874 CG GLU B 23 7.044 7.729 -4.762 1.00 0.00 C ATOM 875 CD GLU B 23 8.236 8.665 -4.695 1.00 0.00 C ATOM 876 OE1 GLU B 23 8.969 8.628 -3.684 1.00 0.00 O ATOM 877 OE2 GLU B 23 8.440 9.432 -5.660 1.00 0.00 O ATOM 0 H GLU B 23 5.902 5.293 -2.285 1.00 0.00 H new ATOM 0 HA GLU B 23 4.025 7.138 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU B 23 5.674 8.799 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU B 23 6.753 7.721 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.400 6.705 -4.874 1.00 0.00 H new ATOM 0 HG3 GLU B 23 6.457 7.962 -5.651 1.00 0.00 H new ATOM 884 N ARG B 24 4.821 6.391 -5.815 1.00 0.00 N ATOM 885 CA ARG B 24 5.108 5.807 -7.097 1.00 0.00 C ATOM 886 C ARG B 24 6.315 6.605 -7.599 1.00 0.00 C ATOM 887 O ARG B 24 6.200 7.751 -8.039 1.00 0.00 O ATOM 888 CB ARG B 24 3.905 5.888 -8.012 1.00 0.00 C ATOM 889 CG ARG B 24 4.189 5.456 -9.423 1.00 0.00 C ATOM 890 CD ARG B 24 2.898 5.349 -10.223 1.00 0.00 C ATOM 891 NE ARG B 24 3.011 4.491 -11.409 1.00 0.00 N ATOM 892 CZ ARG B 24 2.753 3.174 -11.440 1.00 0.00 C ATOM 893 NH1 ARG B 24 2.343 2.536 -10.355 1.00 0.00 N ATOM 894 NH2 ARG B 24 2.882 2.494 -12.574 1.00 0.00 N ATOM 0 H ARG B 24 4.229 7.220 -5.861 1.00 0.00 H new ATOM 0 HA ARG B 24 5.332 4.741 -7.053 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.107 5.267 -7.605 1.00 0.00 H new ATOM 0 HB3 ARG B 24 3.536 6.914 -8.023 1.00 0.00 H new ATOM 0 HG2 ARG B 24 4.860 6.171 -9.899 1.00 0.00 H new ATOM 0 HG3 ARG B 24 4.700 4.493 -9.418 1.00 0.00 H new ATOM 0 HD2 ARG B 24 2.111 4.960 -9.577 1.00 0.00 H new ATOM 0 HD3 ARG B 24 2.590 6.347 -10.535 1.00 0.00 H new ATOM 0 HE ARG B 24 3.310 4.931 -12.279 1.00 0.00 H new ATOM 0 HH11 ARG B 24 2.219 3.045 -9.480 1.00 0.00 H new ATOM 0 HH12 ARG B 24 2.151 1.535 -10.394 1.00 0.00 H new ATOM 0 HH21 ARG B 24 3.178 2.973 -13.425 1.00 0.00 H new ATOM 0 HH22 ARG B 24 2.685 1.493 -12.594 1.00 0.00 H new ATOM 908 N PRO B 25 7.492 6.000 -7.422 1.00 0.00 N ATOM 909 CA PRO B 25 8.804 6.585 -7.718 1.00 0.00 C ATOM 910 C PRO B 25 8.869 7.379 -9.001 1.00 0.00 C ATOM 911 O PRO B 25 8.246 7.054 -10.014 1.00 0.00 O ATOM 912 CB PRO B 25 9.741 5.416 -7.712 1.00 0.00 C ATOM 913 CG PRO B 25 9.054 4.370 -6.897 1.00 0.00 C ATOM 914 CD PRO B 25 7.603 4.677 -6.851 1.00 0.00 C ATOM 0 HA PRO B 25 9.065 7.339 -6.975 1.00 0.00 H new ATOM 0 HB2 PRO B 25 9.936 5.062 -8.724 1.00 0.00 H new ATOM 0 HB3 PRO B 25 10.704 5.685 -7.277 1.00 0.00 H new ATOM 0 HG2 PRO B 25 9.218 3.384 -7.332 1.00 0.00 H new ATOM 0 HG3 PRO B 25 9.467 4.346 -5.889 1.00 0.00 H new ATOM 0 HD2 PRO B 25 7.026 3.949 -7.421 1.00 0.00 H new ATOM 0 HD3 PRO B 25 7.225 4.653 -5.829 1.00 0.00 H new ATOM 922 N SER B 26 9.638 8.445 -8.895 1.00 0.00 N ATOM 923 CA SER B 26 9.867 9.401 -9.963 1.00 0.00 C ATOM 924 C SER B 26 10.245 8.737 -11.232 1.00 0.00 C ATOM 925 O SER B 26 9.811 9.122 -12.320 1.00 0.00 O ATOM 926 CB SER B 26 10.966 10.341 -9.562 1.00 0.00 C ATOM 927 OG SER B 26 11.290 11.249 -10.603 1.00 0.00 O ATOM 0 H SER B 26 10.137 8.678 -8.036 1.00 0.00 H new ATOM 0 HA SER B 26 8.935 9.941 -10.127 1.00 0.00 H new ATOM 0 HB2 SER B 26 10.662 10.898 -8.676 1.00 0.00 H new ATOM 0 HB3 SER B 26 11.853 9.768 -9.290 1.00 0.00 H new ATOM 0 HG SER B 26 12.008 11.846 -10.305 1.00 0.00 H new ATOM 933 N ASP B 27 11.039 7.723 -11.055 1.00 0.00 N ATOM 934 CA ASP B 27 11.503 6.915 -12.148 1.00 0.00 C ATOM 935 C ASP B 27 12.559 7.623 -13.008 1.00 0.00 C ATOM 936 O ASP B 27 13.505 6.941 -13.453 1.00 0.00 O ATOM 937 CB ASP B 27 10.280 6.529 -12.937 1.00 0.00 C ATOM 938 CG ASP B 27 10.374 6.804 -14.428 1.00 0.00 C ATOM 939 OD1 ASP B 27 10.948 5.962 -15.151 1.00 0.00 O ATOM 940 OD2 ASP B 27 9.871 7.857 -14.873 1.00 0.00 O ATOM 941 OXT ASP B 27 12.433 8.848 -13.231 1.00 0.00 O ATOM 0 H ASP B 27 11.387 7.430 -10.142 1.00 0.00 H new ATOM 0 HA ASP B 27 12.019 6.030 -11.775 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.089 5.466 -12.789 1.00 0.00 H new ATOM 0 HB3 ASP B 27 9.421 7.066 -12.536 1.00 0.00 H new TER 946 ASP B 27