USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN : amide:sc= 0.929 K(o=1.8,f=-5.6!) USER MOD Set 1.2: B 3 LYS NZ :NH3+ -172:sc= 0.858 (180deg=-0.0765) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -163:sc= 0.74 (180deg=-0.476) USER MOD Set 2.2: A 64 TYR OH : rot 15:sc= 0.699 USER MOD Set 3.1: A 35 SER OG : rot 180:sc= 0.536 USER MOD Set 3.2: A 38 SER OG : rot 89:sc= 1.27 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0604 K(o=-0.06,f=-1.9!) USER MOD Single : A 12 LYS NZ :NH3+ -170:sc= -0.0251 (180deg=-0.162) USER MOD Single : A 15 HIS : no HE2:sc= 0.196 K(o=0.2,f=-1.2) USER MOD Single : A 18 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.5!) USER MOD Single : A 24 SER OG : rot 103:sc= 0.00243 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 77:sc= 0.181 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0458 K(o=-0.046,f=-0.76) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.147 F(o=-2.3,f=-0.15) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.6!) USER MOD Single : B 12 LYS NZ :NH3+ -156:sc= 0.563 (180deg=0.3) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 18 ASN :FLIP amide:sc= 0.79 F(o=-0.24,f=0.79) USER MOD Single : B 24 SER OG : rot 54:sc= 0.458 USER MOD Single : B 31 LYS NZ :NH3+ 150:sc= 0.0485 (180deg=-0.505) USER MOD Single : B 33 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.094) USER MOD Single : B 35 SER OG : rot 180:sc=-0.00213 USER MOD Single : B 38 SER OG : rot 170:sc= 0 USER MOD Single : B 39 THR OG1 : rot 75:sc= 0.349 USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 LYS NZ :NH3+ 161:sc= 0.82 (180deg=0.513) USER MOD Single : B 57 LYS NZ :NH3+ -149:sc= 0.16 (180deg=-0.436) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= -3 K(o=-3,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 54 N LYS A 4 -1.832 13.908 4.834 1.00 45.53 N ATOM 55 CA LYS A 4 -2.924 13.569 5.793 1.00 62.14 C ATOM 56 C LYS A 4 -4.028 12.674 5.162 1.00 74.55 C ATOM 57 O LYS A 4 -4.833 12.079 5.894 1.00 23.22 O ATOM 58 CB LYS A 4 -3.561 14.862 6.379 1.00 64.43 C ATOM 59 CG LYS A 4 -2.633 15.663 7.318 1.00 70.14 C ATOM 60 CD LYS A 4 -3.328 16.912 7.911 1.00 74.54 C ATOM 61 CE LYS A 4 -2.440 17.667 8.917 1.00 44.54 C ATOM 62 NZ LYS A 4 -3.105 18.891 9.427 1.00 74.22 N ATOM 0 HA LYS A 4 -2.461 12.993 6.595 1.00 62.14 H new ATOM 0 HB2 LYS A 4 -3.868 15.507 5.555 1.00 64.43 H new ATOM 0 HB3 LYS A 4 -4.464 14.592 6.926 1.00 64.43 H new ATOM 0 HG2 LYS A 4 -2.298 15.018 8.130 1.00 70.14 H new ATOM 0 HG3 LYS A 4 -1.744 15.972 6.768 1.00 70.14 H new ATOM 0 HD2 LYS A 4 -3.606 17.586 7.101 1.00 74.54 H new ATOM 0 HD3 LYS A 4 -4.251 16.609 8.404 1.00 74.54 H new ATOM 0 HE2 LYS A 4 -2.197 17.010 9.752 1.00 44.54 H new ATOM 0 HE3 LYS A 4 -1.498 17.937 8.440 1.00 44.54 H new ATOM 0 HZ1 LYS A 4 -2.476 19.372 10.102 1.00 74.22 H new ATOM 0 HZ2 LYS A 4 -3.314 19.529 8.633 1.00 74.22 H new ATOM 0 HZ3 LYS A 4 -3.991 18.631 9.905 1.00 74.22 H new ATOM 76 N ILE A 5 -4.059 12.592 3.812 1.00 10.54 N ATOM 77 CA ILE A 5 -5.002 11.717 3.072 1.00 11.44 C ATOM 78 C ILE A 5 -4.808 10.225 3.451 1.00 31.32 C ATOM 79 O ILE A 5 -5.788 9.507 3.639 1.00 32.44 O ATOM 80 CB ILE A 5 -4.861 11.910 1.508 1.00 15.22 C ATOM 81 CG1 ILE A 5 -5.209 13.384 1.112 1.00 72.33 C ATOM 82 CG2 ILE A 5 -5.733 10.895 0.709 1.00 63.00 C ATOM 83 CD1 ILE A 5 -5.083 13.704 -0.374 1.00 11.42 C ATOM 0 H ILE A 5 -3.436 13.126 3.207 1.00 10.54 H new ATOM 0 HA ILE A 5 -6.010 12.014 3.363 1.00 11.44 H new ATOM 0 HB ILE A 5 -3.823 11.709 1.242 1.00 15.22 H new ATOM 0 HG12 ILE A 5 -6.230 13.597 1.428 1.00 72.33 H new ATOM 0 HG13 ILE A 5 -4.557 14.057 1.669 1.00 72.33 H new ATOM 0 HG21 ILE A 5 -5.603 11.066 -0.360 1.00 63.00 H new ATOM 0 HG22 ILE A 5 -5.425 9.879 0.954 1.00 63.00 H new ATOM 0 HG23 ILE A 5 -6.782 11.029 0.973 1.00 63.00 H new ATOM 0 HD11 ILE A 5 -5.345 14.748 -0.545 1.00 11.42 H new ATOM 0 HD12 ILE A 5 -4.057 13.530 -0.698 1.00 11.42 H new ATOM 0 HD13 ILE A 5 -5.757 13.063 -0.943 1.00 11.42 H new ATOM 95 N VAL A 6 -3.541 9.782 3.611 1.00 21.40 N ATOM 96 CA VAL A 6 -3.233 8.364 3.939 1.00 61.14 C ATOM 97 C VAL A 6 -3.749 7.984 5.348 1.00 14.43 C ATOM 98 O VAL A 6 -4.170 6.854 5.562 1.00 42.24 O ATOM 99 CB VAL A 6 -1.693 8.037 3.817 1.00 22.15 C ATOM 100 CG1 VAL A 6 -1.163 8.452 2.430 1.00 52.22 C ATOM 101 CG2 VAL A 6 -0.851 8.678 4.950 1.00 54.43 C ATOM 0 H VAL A 6 -2.718 10.378 3.520 1.00 21.40 H new ATOM 0 HA VAL A 6 -3.758 7.760 3.199 1.00 61.14 H new ATOM 0 HB VAL A 6 -1.586 6.958 3.928 1.00 22.15 H new ATOM 0 HG11 VAL A 6 -0.100 8.220 2.362 1.00 52.22 H new ATOM 0 HG12 VAL A 6 -1.703 7.907 1.656 1.00 52.22 H new ATOM 0 HG13 VAL A 6 -1.310 9.523 2.290 1.00 52.22 H new ATOM 0 HG21 VAL A 6 0.199 8.419 4.814 1.00 54.43 H new ATOM 0 HG22 VAL A 6 -0.964 9.762 4.919 1.00 54.43 H new ATOM 0 HG23 VAL A 6 -1.195 8.305 5.915 1.00 54.43 H new ATOM 111 N GLY A 7 -3.724 8.961 6.284 1.00 5.12 N ATOM 112 CA GLY A 7 -4.222 8.767 7.652 1.00 25.10 C ATOM 113 C GLY A 7 -5.752 8.728 7.740 1.00 34.42 C ATOM 114 O GLY A 7 -6.326 7.882 8.439 1.00 35.45 O ATOM 0 H GLY A 7 -3.359 9.897 6.107 1.00 5.12 H new ATOM 0 HA2 GLY A 7 -3.818 7.836 8.050 1.00 25.10 H new ATOM 0 HA3 GLY A 7 -3.849 9.572 8.285 1.00 25.10 H new ATOM 118 N ALA A 8 -6.406 9.657 7.012 1.00 12.25 N ATOM 119 CA ALA A 8 -7.883 9.776 6.972 1.00 15.10 C ATOM 120 C ALA A 8 -8.537 8.544 6.293 1.00 72.42 C ATOM 121 O ALA A 8 -9.504 7.969 6.811 1.00 40.23 O ATOM 122 CB ALA A 8 -8.280 11.076 6.250 1.00 63.35 C ATOM 0 H ALA A 8 -5.927 10.347 6.434 1.00 12.25 H new ATOM 0 HA ALA A 8 -8.252 9.811 7.997 1.00 15.10 H new ATOM 0 HB1 ALA A 8 -9.366 11.160 6.223 1.00 63.35 H new ATOM 0 HB2 ALA A 8 -7.863 11.930 6.784 1.00 63.35 H new ATOM 0 HB3 ALA A 8 -7.892 11.060 5.232 1.00 63.35 H new ATOM 128 N ASN A 9 -7.974 8.148 5.137 1.00 53.10 N ATOM 129 CA ASN A 9 -8.411 6.953 4.372 1.00 23.20 C ATOM 130 C ASN A 9 -8.095 5.639 5.128 1.00 12.25 C ATOM 131 O ASN A 9 -8.794 4.637 4.942 1.00 24.31 O ATOM 132 CB ASN A 9 -7.740 6.936 2.969 1.00 4.44 C ATOM 133 CG ASN A 9 -8.174 8.097 2.059 1.00 45.13 C ATOM 134 OD1 ASN A 9 -8.512 9.184 2.518 1.00 33.41 O ATOM 135 ND2 ASN A 9 -8.144 7.883 0.756 1.00 62.43 N ATOM 0 H ASN A 9 -7.199 8.647 4.700 1.00 53.10 H new ATOM 0 HA ASN A 9 -9.493 7.016 4.254 1.00 23.20 H new ATOM 0 HB2 ASN A 9 -6.658 6.970 3.094 1.00 4.44 H new ATOM 0 HB3 ASN A 9 -7.975 5.993 2.476 1.00 4.44 H new ATOM 0 HD21 ASN A 9 -8.405 8.629 0.111 1.00 62.43 H new ATOM 0 HD22 ASN A 9 -7.860 6.972 0.395 1.00 62.43 H new ATOM 142 N ALA A 10 -7.055 5.667 5.998 1.00 0.10 N ATOM 143 CA ALA A 10 -6.651 4.495 6.812 1.00 55.03 C ATOM 144 C ALA A 10 -7.695 4.185 7.907 1.00 34.31 C ATOM 145 O ALA A 10 -7.928 3.023 8.239 1.00 42.33 O ATOM 146 CB ALA A 10 -5.267 4.721 7.438 1.00 34.12 C ATOM 0 H ALA A 10 -6.478 6.494 6.154 1.00 0.10 H new ATOM 0 HA ALA A 10 -6.596 3.633 6.147 1.00 55.03 H new ATOM 0 HB1 ALA A 10 -4.989 3.850 8.031 1.00 34.12 H new ATOM 0 HB2 ALA A 10 -4.531 4.872 6.648 1.00 34.12 H new ATOM 0 HB3 ALA A 10 -5.297 5.602 8.079 1.00 34.12 H new ATOM 152 N GLY A 11 -8.322 5.249 8.450 1.00 53.11 N ATOM 153 CA GLY A 11 -9.404 5.107 9.438 1.00 44.22 C ATOM 154 C GLY A 11 -10.671 4.455 8.858 1.00 72.54 C ATOM 155 O GLY A 11 -11.322 3.639 9.523 1.00 15.32 O ATOM 0 H GLY A 11 -8.095 6.216 8.218 1.00 53.11 H new ATOM 0 HA2 GLY A 11 -9.046 4.509 10.276 1.00 44.22 H new ATOM 0 HA3 GLY A 11 -9.658 6.090 9.834 1.00 44.22 H new ATOM 159 N LYS A 12 -11.003 4.816 7.599 1.00 73.21 N ATOM 160 CA LYS A 12 -12.182 4.275 6.881 1.00 3.02 C ATOM 161 C LYS A 12 -11.996 2.778 6.517 1.00 72.42 C ATOM 162 O LYS A 12 -12.891 1.958 6.768 1.00 11.12 O ATOM 163 CB LYS A 12 -12.461 5.109 5.597 1.00 22.45 C ATOM 164 CG LYS A 12 -13.664 4.606 4.753 1.00 1.31 C ATOM 165 CD LYS A 12 -13.974 5.493 3.520 1.00 23.11 C ATOM 166 CE LYS A 12 -14.470 6.902 3.900 1.00 12.40 C ATOM 167 NZ LYS A 12 -15.698 6.861 4.739 1.00 31.41 N ATOM 0 H LYS A 12 -10.465 5.488 7.052 1.00 73.21 H new ATOM 0 HA LYS A 12 -13.039 4.349 7.551 1.00 3.02 H new ATOM 0 HB2 LYS A 12 -12.642 6.145 5.884 1.00 22.45 H new ATOM 0 HB3 LYS A 12 -11.567 5.102 4.973 1.00 22.45 H new ATOM 0 HG2 LYS A 12 -13.461 3.589 4.416 1.00 1.31 H new ATOM 0 HG3 LYS A 12 -14.548 4.560 5.388 1.00 1.31 H new ATOM 0 HD2 LYS A 12 -13.076 5.583 2.909 1.00 23.11 H new ATOM 0 HD3 LYS A 12 -14.729 5.001 2.906 1.00 23.11 H new ATOM 0 HE2 LYS A 12 -13.682 7.429 4.438 1.00 12.40 H new ATOM 0 HE3 LYS A 12 -14.672 7.471 2.992 1.00 12.40 H new ATOM 0 HZ1 LYS A 12 -16.090 7.820 4.828 1.00 31.41 H new ATOM 0 HZ2 LYS A 12 -16.403 6.239 4.293 1.00 31.41 H new ATOM 0 HZ3 LYS A 12 -15.461 6.495 5.683 1.00 31.41 H new ATOM 181 N VAL A 13 -10.828 2.433 5.926 1.00 24.21 N ATOM 182 CA VAL A 13 -10.530 1.041 5.511 1.00 74.55 C ATOM 183 C VAL A 13 -10.391 0.099 6.739 1.00 63.24 C ATOM 184 O VAL A 13 -10.840 -1.049 6.688 1.00 64.10 O ATOM 185 CB VAL A 13 -9.256 0.950 4.575 1.00 42.41 C ATOM 186 CG1 VAL A 13 -7.965 1.434 5.277 1.00 30.15 C ATOM 187 CG2 VAL A 13 -9.074 -0.480 4.018 1.00 4.45 C ATOM 0 H VAL A 13 -10.079 3.096 5.726 1.00 24.21 H new ATOM 0 HA VAL A 13 -11.382 0.703 4.922 1.00 74.55 H new ATOM 0 HB VAL A 13 -9.436 1.627 3.740 1.00 42.41 H new ATOM 0 HG11 VAL A 13 -7.123 1.350 4.589 1.00 30.15 H new ATOM 0 HG12 VAL A 13 -8.084 2.474 5.580 1.00 30.15 H new ATOM 0 HG13 VAL A 13 -7.777 0.819 6.157 1.00 30.15 H new ATOM 0 HG21 VAL A 13 -8.192 -0.512 3.379 1.00 4.45 H new ATOM 0 HG22 VAL A 13 -8.949 -1.179 4.845 1.00 4.45 H new ATOM 0 HG23 VAL A 13 -9.953 -0.759 3.437 1.00 4.45 H new ATOM 197 N TRP A 14 -9.802 0.612 7.848 1.00 55.20 N ATOM 198 CA TRP A 14 -9.681 -0.156 9.112 1.00 1.01 C ATOM 199 C TRP A 14 -11.072 -0.449 9.719 1.00 52.40 C ATOM 200 O TRP A 14 -11.316 -1.546 10.216 1.00 40.02 O ATOM 201 CB TRP A 14 -8.781 0.573 10.146 1.00 60.10 C ATOM 202 CG TRP A 14 -8.403 -0.292 11.338 1.00 14.34 C ATOM 203 CD1 TRP A 14 -7.416 -1.242 11.403 1.00 43.05 C ATOM 204 CD2 TRP A 14 -9.027 -0.289 12.624 1.00 41.21 C ATOM 205 NE1 TRP A 14 -7.402 -1.826 12.644 1.00 51.13 N ATOM 206 CE2 TRP A 14 -8.382 -1.256 13.412 1.00 61.33 C ATOM 207 CE3 TRP A 14 -10.072 0.445 13.168 1.00 3.21 C ATOM 208 CZ2 TRP A 14 -8.756 -1.507 14.730 1.00 21.21 C ATOM 209 CZ3 TRP A 14 -10.447 0.205 14.478 1.00 21.03 C ATOM 210 CH2 TRP A 14 -9.788 -0.766 15.247 1.00 1.53 C ATOM 0 H TRP A 14 -9.405 1.551 7.892 1.00 55.20 H new ATOM 0 HA TRP A 14 -9.203 -1.104 8.866 1.00 1.01 H new ATOM 0 HB2 TRP A 14 -7.871 0.911 9.650 1.00 60.10 H new ATOM 0 HB3 TRP A 14 -9.299 1.463 10.503 1.00 60.10 H new ATOM 0 HD1 TRP A 14 -6.746 -1.494 10.594 1.00 43.05 H new ATOM 0 HE1 TRP A 14 -6.766 -2.564 12.945 1.00 51.13 H new ATOM 0 HE3 TRP A 14 -10.584 1.191 12.578 1.00 3.21 H new ATOM 0 HZ2 TRP A 14 -8.253 -2.257 15.322 1.00 21.21 H new ATOM 0 HZ3 TRP A 14 -11.257 0.772 14.914 1.00 21.03 H new ATOM 0 HH2 TRP A 14 -10.100 -0.933 16.267 1.00 1.53 H new ATOM 221 N HIS A 15 -11.981 0.547 9.655 1.00 13.31 N ATOM 222 CA HIS A 15 -13.387 0.383 10.099 1.00 40.25 C ATOM 223 C HIS A 15 -14.103 -0.718 9.274 1.00 52.35 C ATOM 224 O HIS A 15 -14.875 -1.513 9.819 1.00 14.34 O ATOM 225 CB HIS A 15 -14.153 1.728 9.979 1.00 22.12 C ATOM 226 CG HIS A 15 -15.549 1.695 10.554 1.00 53.22 C ATOM 227 ND1 HIS A 15 -16.631 1.157 9.890 1.00 4.45 N ATOM 228 CD2 HIS A 15 -16.026 2.105 11.754 1.00 40.24 C ATOM 229 CE1 HIS A 15 -17.700 1.237 10.650 1.00 64.22 C ATOM 230 NE2 HIS A 15 -17.363 1.807 11.784 1.00 72.04 N ATOM 0 H HIS A 15 -11.767 1.479 9.299 1.00 13.31 H new ATOM 0 HA HIS A 15 -13.379 0.076 11.145 1.00 40.25 H new ATOM 0 HB2 HIS A 15 -13.581 2.506 10.485 1.00 22.12 H new ATOM 0 HB3 HIS A 15 -14.211 2.008 8.927 1.00 22.12 H new ATOM 0 HD1 HIS A 15 -16.606 0.758 8.952 1.00 4.45 H new ATOM 0 HD2 HIS A 15 -15.458 2.579 12.541 1.00 40.24 H new ATOM 0 HE1 HIS A 15 -18.689 0.892 10.386 1.00 64.22 H new ATOM 239 N ALA A 16 -13.819 -0.744 7.955 1.00 51.44 N ATOM 240 CA ALA A 16 -14.371 -1.754 7.019 1.00 4.12 C ATOM 241 C ALA A 16 -13.860 -3.178 7.339 1.00 2.33 C ATOM 242 O ALA A 16 -14.542 -4.167 7.053 1.00 63.22 O ATOM 243 CB ALA A 16 -14.048 -1.369 5.567 1.00 25.04 C ATOM 0 H ALA A 16 -13.201 -0.067 7.506 1.00 51.44 H new ATOM 0 HA ALA A 16 -15.453 -1.766 7.146 1.00 4.12 H new ATOM 0 HB1 ALA A 16 -14.459 -2.119 4.892 1.00 25.04 H new ATOM 0 HB2 ALA A 16 -14.488 -0.398 5.342 1.00 25.04 H new ATOM 0 HB3 ALA A 16 -12.967 -1.317 5.436 1.00 25.04 H new ATOM 249 N LEU A 17 -12.644 -3.256 7.914 1.00 23.11 N ATOM 250 CA LEU A 17 -12.067 -4.513 8.438 1.00 22.12 C ATOM 251 C LEU A 17 -12.865 -5.045 9.655 1.00 11.04 C ATOM 252 O LEU A 17 -13.140 -6.243 9.742 1.00 35.24 O ATOM 253 CB LEU A 17 -10.584 -4.301 8.834 1.00 5.53 C ATOM 254 CG LEU A 17 -9.613 -3.902 7.683 1.00 41.42 C ATOM 255 CD1 LEU A 17 -8.232 -3.501 8.241 1.00 52.21 C ATOM 256 CD2 LEU A 17 -9.502 -5.031 6.634 1.00 20.54 C ATOM 0 H LEU A 17 -12.032 -2.448 8.029 1.00 23.11 H new ATOM 0 HA LEU A 17 -12.127 -5.257 7.644 1.00 22.12 H new ATOM 0 HB2 LEU A 17 -10.542 -3.528 9.601 1.00 5.53 H new ATOM 0 HB3 LEU A 17 -10.216 -5.221 9.289 1.00 5.53 H new ATOM 0 HG LEU A 17 -10.026 -3.029 7.177 1.00 41.42 H new ATOM 0 HD11 LEU A 17 -7.572 -3.227 7.418 1.00 52.21 H new ATOM 0 HD12 LEU A 17 -8.344 -2.651 8.914 1.00 52.21 H new ATOM 0 HD13 LEU A 17 -7.802 -4.341 8.786 1.00 52.21 H new ATOM 0 HD21 LEU A 17 -8.818 -4.726 5.842 1.00 20.54 H new ATOM 0 HD22 LEU A 17 -9.124 -5.935 7.111 1.00 20.54 H new ATOM 0 HD23 LEU A 17 -10.485 -5.229 6.208 1.00 20.54 H new ATOM 268 N ASN A 18 -13.211 -4.147 10.610 1.00 22.21 N ATOM 269 CA ASN A 18 -14.016 -4.524 11.811 1.00 34.13 C ATOM 270 C ASN A 18 -15.422 -5.034 11.408 1.00 22.10 C ATOM 271 O ASN A 18 -16.005 -5.889 12.087 1.00 23.33 O ATOM 272 CB ASN A 18 -14.151 -3.341 12.801 1.00 15.53 C ATOM 273 CG ASN A 18 -12.802 -2.774 13.229 1.00 4.55 C ATOM 274 OD1 ASN A 18 -12.349 -1.777 12.698 1.00 50.22 O ATOM 275 ND2 ASN A 18 -12.137 -3.420 14.166 1.00 62.41 N ATOM 0 H ASN A 18 -12.950 -3.162 10.578 1.00 22.21 H new ATOM 0 HA ASN A 18 -13.480 -5.331 12.310 1.00 34.13 H new ATOM 0 HB2 ASN A 18 -14.742 -2.551 12.338 1.00 15.53 H new ATOM 0 HB3 ASN A 18 -14.698 -3.672 13.684 1.00 15.53 H new ATOM 0 HD21 ASN A 18 -11.220 -3.087 14.462 1.00 62.41 H new ATOM 0 HD22 ASN A 18 -12.540 -4.253 14.595 1.00 62.41 H new ATOM 282 N GLU A 19 -15.946 -4.488 10.296 1.00 33.30 N ATOM 283 CA GLU A 19 -17.212 -4.942 9.685 1.00 43.40 C ATOM 284 C GLU A 19 -17.039 -6.344 9.042 1.00 32.21 C ATOM 285 O GLU A 19 -17.827 -7.258 9.311 1.00 53.35 O ATOM 286 CB GLU A 19 -17.694 -3.896 8.645 1.00 13.31 C ATOM 287 CG GLU A 19 -17.958 -2.497 9.240 1.00 62.24 C ATOM 288 CD GLU A 19 -18.360 -1.450 8.189 1.00 33.05 C ATOM 289 OE1 GLU A 19 -19.557 -1.358 7.859 1.00 32.31 O ATOM 290 OE2 GLU A 19 -17.480 -0.727 7.675 1.00 34.42 O ATOM 0 H GLU A 19 -15.504 -3.718 9.794 1.00 33.30 H new ATOM 0 HA GLU A 19 -17.973 -5.032 10.461 1.00 43.40 H new ATOM 0 HB2 GLU A 19 -16.945 -3.810 7.858 1.00 13.31 H new ATOM 0 HB3 GLU A 19 -18.609 -4.259 8.176 1.00 13.31 H new ATOM 0 HG2 GLU A 19 -18.748 -2.572 9.987 1.00 62.24 H new ATOM 0 HG3 GLU A 19 -17.061 -2.156 9.757 1.00 62.24 H new ATOM 297 N ALA A 20 -15.973 -6.502 8.224 1.00 72.31 N ATOM 298 CA ALA A 20 -15.632 -7.782 7.550 1.00 44.32 C ATOM 299 C ALA A 20 -14.204 -7.729 6.939 1.00 2.32 C ATOM 300 O ALA A 20 -13.981 -7.067 5.914 1.00 62.11 O ATOM 301 CB ALA A 20 -16.676 -8.132 6.467 1.00 10.35 C ATOM 0 H ALA A 20 -15.322 -5.746 8.011 1.00 72.31 H new ATOM 0 HA ALA A 20 -15.648 -8.569 8.304 1.00 44.32 H new ATOM 0 HB1 ALA A 20 -16.403 -9.073 5.989 1.00 10.35 H new ATOM 0 HB2 ALA A 20 -17.659 -8.231 6.928 1.00 10.35 H new ATOM 0 HB3 ALA A 20 -16.704 -7.340 5.719 1.00 10.35 H new ATOM 307 N ASP A 21 -13.238 -8.410 7.593 1.00 64.25 N ATOM 308 CA ASP A 21 -11.835 -8.521 7.115 1.00 33.42 C ATOM 309 C ASP A 21 -11.524 -9.948 6.603 1.00 33.24 C ATOM 310 O ASP A 21 -12.384 -10.842 6.648 1.00 10.14 O ATOM 311 CB ASP A 21 -10.855 -8.120 8.243 1.00 40.54 C ATOM 312 CG ASP A 21 -10.857 -9.091 9.425 1.00 40.32 C ATOM 313 OD1 ASP A 21 -11.799 -9.053 10.245 1.00 3.25 O ATOM 314 OD2 ASP A 21 -9.924 -9.902 9.538 1.00 22.23 O ATOM 0 H ASP A 21 -13.406 -8.901 8.471 1.00 64.25 H new ATOM 0 HA ASP A 21 -11.707 -7.836 6.277 1.00 33.42 H new ATOM 0 HB2 ASP A 21 -9.847 -8.060 7.834 1.00 40.54 H new ATOM 0 HB3 ASP A 21 -11.113 -7.123 8.601 1.00 40.54 H new ATOM 319 N GLY A 22 -10.271 -10.155 6.154 1.00 32.01 N ATOM 320 CA GLY A 22 -9.881 -11.392 5.464 1.00 44.30 C ATOM 321 C GLY A 22 -10.358 -11.408 4.017 1.00 44.23 C ATOM 322 O GLY A 22 -10.700 -12.451 3.470 1.00 33.35 O ATOM 0 H GLY A 22 -9.514 -9.479 6.259 1.00 32.01 H new ATOM 0 HA2 GLY A 22 -8.796 -11.496 5.490 1.00 44.30 H new ATOM 0 HA3 GLY A 22 -10.296 -12.250 5.993 1.00 44.30 H new ATOM 326 N ILE A 23 -10.388 -10.212 3.412 1.00 41.22 N ATOM 327 CA ILE A 23 -10.916 -9.977 2.057 1.00 5.24 C ATOM 328 C ILE A 23 -9.822 -9.342 1.162 1.00 3.05 C ATOM 329 O ILE A 23 -8.884 -8.702 1.674 1.00 52.35 O ATOM 330 CB ILE A 23 -12.208 -9.062 2.141 1.00 34.52 C ATOM 331 CG1 ILE A 23 -12.916 -8.921 0.754 1.00 21.13 C ATOM 332 CG2 ILE A 23 -11.885 -7.672 2.757 1.00 1.52 C ATOM 333 CD1 ILE A 23 -14.224 -8.142 0.773 1.00 2.05 C ATOM 0 H ILE A 23 -10.040 -9.363 3.858 1.00 41.22 H new ATOM 0 HA ILE A 23 -11.202 -10.926 1.604 1.00 5.24 H new ATOM 0 HB ILE A 23 -12.909 -9.563 2.809 1.00 34.52 H new ATOM 0 HG12 ILE A 23 -12.230 -8.433 0.061 1.00 21.13 H new ATOM 0 HG13 ILE A 23 -13.111 -9.918 0.360 1.00 21.13 H new ATOM 0 HG21 ILE A 23 -12.794 -7.072 2.799 1.00 1.52 H new ATOM 0 HG22 ILE A 23 -11.490 -7.803 3.765 1.00 1.52 H new ATOM 0 HG23 ILE A 23 -11.143 -7.164 2.140 1.00 1.52 H new ATOM 0 HD11 ILE A 23 -14.637 -8.100 -0.235 1.00 2.05 H new ATOM 0 HD12 ILE A 23 -14.933 -8.638 1.435 1.00 2.05 H new ATOM 0 HD13 ILE A 23 -14.039 -7.130 1.132 1.00 2.05 H new ATOM 345 N SER A 24 -9.936 -9.546 -0.169 1.00 43.55 N ATOM 346 CA SER A 24 -9.007 -8.946 -1.157 1.00 41.41 C ATOM 347 C SER A 24 -9.090 -7.409 -1.141 1.00 34.01 C ATOM 348 O SER A 24 -10.175 -6.838 -0.956 1.00 43.11 O ATOM 349 CB SER A 24 -9.317 -9.446 -2.582 1.00 41.44 C ATOM 350 OG SER A 24 -9.264 -10.851 -2.666 1.00 25.21 O ATOM 0 H SER A 24 -10.665 -10.124 -0.587 1.00 43.55 H new ATOM 0 HA SER A 24 -8.000 -9.254 -0.874 1.00 41.41 H new ATOM 0 HB2 SER A 24 -10.307 -9.101 -2.881 1.00 41.44 H new ATOM 0 HB3 SER A 24 -8.603 -9.013 -3.283 1.00 41.44 H new ATOM 0 HG SER A 24 -10.175 -11.213 -2.673 1.00 25.21 H new ATOM 356 N ILE A 25 -7.939 -6.763 -1.386 1.00 20.34 N ATOM 357 CA ILE A 25 -7.805 -5.289 -1.404 1.00 50.41 C ATOM 358 C ILE A 25 -8.748 -4.589 -2.453 1.00 44.32 C ATOM 359 O ILE A 25 -9.344 -3.571 -2.109 1.00 12.14 O ATOM 360 CB ILE A 25 -6.301 -4.872 -1.638 1.00 70.22 C ATOM 361 CG1 ILE A 25 -5.386 -5.509 -0.535 1.00 33.45 C ATOM 362 CG2 ILE A 25 -6.125 -3.333 -1.706 1.00 23.51 C ATOM 363 CD1 ILE A 25 -3.894 -5.251 -0.693 1.00 72.22 C ATOM 0 H ILE A 25 -7.064 -7.250 -1.580 1.00 20.34 H new ATOM 0 HA ILE A 25 -8.127 -4.938 -0.424 1.00 50.41 H new ATOM 0 HB ILE A 25 -5.993 -5.259 -2.609 1.00 70.22 H new ATOM 0 HG12 ILE A 25 -5.702 -5.131 0.437 1.00 33.45 H new ATOM 0 HG13 ILE A 25 -5.552 -6.586 -0.527 1.00 33.45 H new ATOM 0 HG21 ILE A 25 -5.074 -3.094 -1.868 1.00 23.51 H new ATOM 0 HG22 ILE A 25 -6.719 -2.935 -2.529 1.00 23.51 H new ATOM 0 HG23 ILE A 25 -6.458 -2.887 -0.769 1.00 23.51 H new ATOM 0 HD11 ILE A 25 -3.353 -5.734 0.120 1.00 72.22 H new ATOM 0 HD12 ILE A 25 -3.554 -5.656 -1.646 1.00 72.22 H new ATOM 0 HD13 ILE A 25 -3.706 -4.178 -0.667 1.00 72.22 H new ATOM 375 N PRO A 26 -8.912 -5.098 -3.747 1.00 32.43 N ATOM 376 CA PRO A 26 -9.848 -4.478 -4.736 1.00 33.42 C ATOM 377 C PRO A 26 -11.337 -4.509 -4.310 1.00 24.23 C ATOM 378 O PRO A 26 -12.078 -3.570 -4.587 1.00 4.31 O ATOM 379 CB PRO A 26 -9.624 -5.312 -6.038 1.00 23.03 C ATOM 380 CG PRO A 26 -9.065 -6.608 -5.550 1.00 71.45 C ATOM 381 CD PRO A 26 -8.186 -6.234 -4.380 1.00 63.42 C ATOM 0 HA PRO A 26 -9.637 -3.415 -4.849 1.00 33.42 H new ATOM 0 HB2 PRO A 26 -10.557 -5.460 -6.582 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -8.935 -4.812 -6.718 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -9.858 -7.291 -5.246 1.00 71.45 H new ATOM 0 HG3 PRO A 26 -8.493 -7.110 -6.330 1.00 71.45 H new ATOM 0 HD2 PRO A 26 -8.063 -7.067 -3.688 1.00 63.42 H new ATOM 0 HD3 PRO A 26 -7.188 -5.941 -4.706 1.00 63.42 H new ATOM 389 N GLU A 27 -11.754 -5.586 -3.622 1.00 40.33 N ATOM 390 CA GLU A 27 -13.158 -5.762 -3.167 1.00 34.40 C ATOM 391 C GLU A 27 -13.457 -4.751 -2.048 1.00 73.15 C ATOM 392 O GLU A 27 -14.422 -3.985 -2.094 1.00 44.04 O ATOM 393 CB GLU A 27 -13.362 -7.200 -2.637 1.00 13.04 C ATOM 394 CG GLU A 27 -13.057 -8.322 -3.639 1.00 2.52 C ATOM 395 CD GLU A 27 -13.349 -9.717 -3.055 1.00 62.22 C ATOM 396 OE1 GLU A 27 -14.530 -10.124 -3.041 1.00 4.31 O ATOM 397 OE2 GLU A 27 -12.411 -10.402 -2.597 1.00 11.10 O ATOM 0 H GLU A 27 -11.139 -6.357 -3.364 1.00 40.33 H new ATOM 0 HA GLU A 27 -13.835 -5.593 -4.004 1.00 34.40 H new ATOM 0 HB2 GLU A 27 -12.730 -7.338 -1.760 1.00 13.04 H new ATOM 0 HB3 GLU A 27 -14.395 -7.303 -2.305 1.00 13.04 H new ATOM 0 HG2 GLU A 27 -13.653 -8.175 -4.540 1.00 2.52 H new ATOM 0 HG3 GLU A 27 -12.010 -8.266 -3.937 1.00 2.52 H new ATOM 404 N LEU A 28 -12.549 -4.776 -1.073 1.00 73.34 N ATOM 405 CA LEU A 28 -12.462 -3.845 0.062 1.00 42.23 C ATOM 406 C LEU A 28 -12.409 -2.356 -0.402 1.00 73.41 C ATOM 407 O LEU A 28 -13.015 -1.477 0.225 1.00 34.13 O ATOM 408 CB LEU A 28 -11.178 -4.253 0.827 1.00 10.12 C ATOM 409 CG LEU A 28 -10.735 -3.400 2.042 1.00 43.42 C ATOM 410 CD1 LEU A 28 -11.791 -3.408 3.174 1.00 3.04 C ATOM 411 CD2 LEU A 28 -9.344 -3.880 2.529 1.00 35.55 C ATOM 0 H LEU A 28 -11.813 -5.482 -1.048 1.00 73.34 H new ATOM 0 HA LEU A 28 -13.347 -3.909 0.695 1.00 42.23 H new ATOM 0 HB2 LEU A 28 -11.311 -5.278 1.173 1.00 10.12 H new ATOM 0 HB3 LEU A 28 -10.356 -4.262 0.112 1.00 10.12 H new ATOM 0 HG LEU A 28 -10.650 -2.360 1.728 1.00 43.42 H new ATOM 0 HD11 LEU A 28 -11.438 -2.797 4.005 1.00 3.04 H new ATOM 0 HD12 LEU A 28 -12.730 -3.002 2.798 1.00 3.04 H new ATOM 0 HD13 LEU A 28 -11.949 -4.431 3.517 1.00 3.04 H new ATOM 0 HD21 LEU A 28 -9.031 -3.281 3.384 1.00 35.55 H new ATOM 0 HD22 LEU A 28 -9.403 -4.928 2.823 1.00 35.55 H new ATOM 0 HD23 LEU A 28 -8.618 -3.769 1.723 1.00 35.55 H new ATOM 423 N ALA A 29 -11.694 -2.114 -1.521 1.00 50.42 N ATOM 424 CA ALA A 29 -11.551 -0.776 -2.146 1.00 1.11 C ATOM 425 C ALA A 29 -12.899 -0.229 -2.665 1.00 63.22 C ATOM 426 O ALA A 29 -13.228 0.935 -2.442 1.00 22.10 O ATOM 427 CB ALA A 29 -10.524 -0.832 -3.292 1.00 43.00 C ATOM 0 H ALA A 29 -11.194 -2.847 -2.023 1.00 50.42 H new ATOM 0 HA ALA A 29 -11.197 -0.092 -1.374 1.00 1.11 H new ATOM 0 HB1 ALA A 29 -10.428 0.156 -3.743 1.00 43.00 H new ATOM 0 HB2 ALA A 29 -9.557 -1.147 -2.899 1.00 43.00 H new ATOM 0 HB3 ALA A 29 -10.859 -1.544 -4.046 1.00 43.00 H new ATOM 433 N ARG A 30 -13.675 -1.099 -3.334 1.00 61.41 N ATOM 434 CA ARG A 30 -14.996 -0.737 -3.911 1.00 11.30 C ATOM 435 C ARG A 30 -16.043 -0.429 -2.807 1.00 33.55 C ATOM 436 O ARG A 30 -16.993 0.328 -3.034 1.00 13.02 O ATOM 437 CB ARG A 30 -15.489 -1.881 -4.837 1.00 64.10 C ATOM 438 CG ARG A 30 -14.541 -2.170 -6.025 1.00 24.12 C ATOM 439 CD ARG A 30 -15.013 -3.344 -6.900 1.00 70.12 C ATOM 440 NE ARG A 30 -16.329 -3.072 -7.511 1.00 75.33 N ATOM 441 CZ ARG A 30 -16.545 -2.748 -8.770 1.00 71.43 C ATOM 442 NH1 ARG A 30 -15.586 -2.703 -9.635 1.00 40.22 N ATOM 443 NH2 ARG A 30 -17.741 -2.461 -9.152 1.00 13.24 N ATOM 0 H ARG A 30 -13.412 -2.071 -3.494 1.00 61.41 H new ATOM 0 HA ARG A 30 -14.876 0.174 -4.497 1.00 11.30 H new ATOM 0 HB2 ARG A 30 -15.605 -2.790 -4.247 1.00 64.10 H new ATOM 0 HB3 ARG A 30 -16.475 -1.624 -5.224 1.00 64.10 H new ATOM 0 HG2 ARG A 30 -14.457 -1.275 -6.642 1.00 24.12 H new ATOM 0 HG3 ARG A 30 -13.544 -2.387 -5.642 1.00 24.12 H new ATOM 0 HD2 ARG A 30 -14.279 -3.532 -7.684 1.00 70.12 H new ATOM 0 HD3 ARG A 30 -15.072 -4.249 -6.295 1.00 70.12 H new ATOM 0 HE ARG A 30 -17.145 -3.141 -6.903 1.00 75.33 H new ATOM 0 HH11 ARG A 30 -14.631 -2.922 -9.350 1.00 40.22 H new ATOM 0 HH12 ARG A 30 -15.784 -2.449 -10.603 1.00 40.22 H new ATOM 0 HH21 ARG A 30 -18.510 -2.486 -8.482 1.00 13.24 H new ATOM 0 HH22 ARG A 30 -17.919 -2.209 -10.124 1.00 13.24 H new ATOM 457 N LYS A 31 -15.847 -1.028 -1.615 1.00 61.42 N ATOM 458 CA LYS A 31 -16.696 -0.781 -0.424 1.00 55.13 C ATOM 459 C LYS A 31 -16.411 0.615 0.184 1.00 64.23 C ATOM 460 O LYS A 31 -17.335 1.382 0.478 1.00 71.34 O ATOM 461 CB LYS A 31 -16.442 -1.886 0.635 1.00 25.20 C ATOM 462 CG LYS A 31 -16.692 -3.326 0.130 1.00 4.54 C ATOM 463 CD LYS A 31 -16.333 -4.393 1.191 1.00 42.21 C ATOM 464 CE LYS A 31 -17.205 -4.283 2.455 1.00 12.33 C ATOM 465 NZ LYS A 31 -16.785 -5.229 3.518 1.00 14.25 N ATOM 0 H LYS A 31 -15.096 -1.698 -1.447 1.00 61.42 H new ATOM 0 HA LYS A 31 -17.741 -0.806 -0.733 1.00 55.13 H new ATOM 0 HB2 LYS A 31 -15.411 -1.810 0.982 1.00 25.20 H new ATOM 0 HB3 LYS A 31 -17.083 -1.700 1.497 1.00 25.20 H new ATOM 0 HG2 LYS A 31 -17.740 -3.433 -0.149 1.00 4.54 H new ATOM 0 HG3 LYS A 31 -16.103 -3.500 -0.770 1.00 4.54 H new ATOM 0 HD2 LYS A 31 -16.451 -5.386 0.757 1.00 42.21 H new ATOM 0 HD3 LYS A 31 -15.284 -4.288 1.467 1.00 42.21 H new ATOM 0 HE2 LYS A 31 -17.156 -3.264 2.839 1.00 12.33 H new ATOM 0 HE3 LYS A 31 -18.245 -4.475 2.193 1.00 12.33 H new ATOM 0 HZ1 LYS A 31 -17.402 -5.116 4.347 1.00 14.25 H new ATOM 0 HZ2 LYS A 31 -16.857 -6.204 3.163 1.00 14.25 H new ATOM 0 HZ3 LYS A 31 -15.801 -5.031 3.790 1.00 14.25 H new ATOM 479 N VAL A 32 -15.110 0.935 0.353 1.00 12.00 N ATOM 480 CA VAL A 32 -14.656 2.247 0.891 1.00 35.01 C ATOM 481 C VAL A 32 -14.573 3.335 -0.221 1.00 52.41 C ATOM 482 O VAL A 32 -14.183 4.478 0.050 1.00 74.03 O ATOM 483 CB VAL A 32 -13.273 2.107 1.637 1.00 42.53 C ATOM 484 CG1 VAL A 32 -13.385 1.118 2.826 1.00 2.43 C ATOM 485 CG2 VAL A 32 -12.135 1.690 0.671 1.00 43.42 C ATOM 0 H VAL A 32 -14.345 0.300 0.124 1.00 12.00 H new ATOM 0 HA VAL A 32 -15.405 2.572 1.613 1.00 35.01 H new ATOM 0 HB VAL A 32 -13.015 3.089 2.033 1.00 42.53 H new ATOM 0 HG11 VAL A 32 -12.419 1.038 3.325 1.00 2.43 H new ATOM 0 HG12 VAL A 32 -14.130 1.482 3.534 1.00 2.43 H new ATOM 0 HG13 VAL A 32 -13.685 0.137 2.457 1.00 2.43 H new ATOM 0 HG21 VAL A 32 -11.200 1.605 1.225 1.00 43.42 H new ATOM 0 HG22 VAL A 32 -12.377 0.729 0.217 1.00 43.42 H new ATOM 0 HG23 VAL A 32 -12.027 2.443 -0.110 1.00 43.42 H new ATOM 495 N ASN A 33 -14.937 2.937 -1.471 1.00 12.14 N ATOM 496 CA ASN A 33 -15.050 3.828 -2.664 1.00 11.10 C ATOM 497 C ASN A 33 -13.682 4.359 -3.177 1.00 50.45 C ATOM 498 O ASN A 33 -13.636 5.243 -4.040 1.00 32.52 O ATOM 499 CB ASN A 33 -16.052 4.988 -2.406 1.00 41.01 C ATOM 500 CG ASN A 33 -17.480 4.481 -2.203 1.00 70.21 C ATOM 501 OD1 ASN A 33 -18.246 4.360 -3.151 1.00 33.45 O ATOM 502 ND2 ASN A 33 -17.840 4.160 -0.974 1.00 3.30 N ATOM 0 H ASN A 33 -15.166 1.966 -1.684 1.00 12.14 H new ATOM 0 HA ASN A 33 -15.444 3.206 -3.468 1.00 11.10 H new ATOM 0 HB2 ASN A 33 -15.738 5.548 -1.525 1.00 41.01 H new ATOM 0 HB3 ASN A 33 -16.030 5.680 -3.248 1.00 41.01 H new ATOM 0 HD21 ASN A 33 -18.778 3.801 -0.795 1.00 3.30 H new ATOM 0 HD22 ASN A 33 -17.181 4.271 -0.204 1.00 3.30 H new ATOM 509 N LEU A 34 -12.578 3.782 -2.677 1.00 53.20 N ATOM 510 CA LEU A 34 -11.208 4.131 -3.117 1.00 13.01 C ATOM 511 C LEU A 34 -10.741 3.179 -4.241 1.00 41.41 C ATOM 512 O LEU A 34 -11.402 2.178 -4.537 1.00 22.44 O ATOM 513 CB LEU A 34 -10.235 4.056 -1.907 1.00 44.15 C ATOM 514 CG LEU A 34 -10.614 4.936 -0.669 1.00 43.00 C ATOM 515 CD1 LEU A 34 -9.646 4.689 0.510 1.00 3.33 C ATOM 516 CD2 LEU A 34 -10.689 6.438 -1.046 1.00 73.45 C ATOM 0 H LEU A 34 -12.604 3.060 -1.957 1.00 53.20 H new ATOM 0 HA LEU A 34 -11.211 5.148 -3.510 1.00 13.01 H new ATOM 0 HB2 LEU A 34 -10.168 3.017 -1.583 1.00 44.15 H new ATOM 0 HB3 LEU A 34 -9.241 4.349 -2.246 1.00 44.15 H new ATOM 0 HG LEU A 34 -11.609 4.637 -0.340 1.00 43.00 H new ATOM 0 HD11 LEU A 34 -9.935 5.314 1.355 1.00 3.33 H new ATOM 0 HD12 LEU A 34 -9.690 3.640 0.803 1.00 3.33 H new ATOM 0 HD13 LEU A 34 -8.630 4.938 0.205 1.00 3.33 H new ATOM 0 HD21 LEU A 34 -10.954 7.022 -0.164 1.00 73.45 H new ATOM 0 HD22 LEU A 34 -9.720 6.768 -1.421 1.00 73.45 H new ATOM 0 HD23 LEU A 34 -11.445 6.582 -1.818 1.00 73.45 H new ATOM 528 N SER A 35 -9.612 3.514 -4.889 1.00 42.41 N ATOM 529 CA SER A 35 -8.946 2.591 -5.836 1.00 4.10 C ATOM 530 C SER A 35 -8.149 1.517 -5.064 1.00 65.24 C ATOM 531 O SER A 35 -7.853 1.689 -3.873 1.00 21.30 O ATOM 532 CB SER A 35 -7.995 3.359 -6.781 1.00 65.52 C ATOM 533 OG SER A 35 -6.841 3.826 -6.103 1.00 74.32 O ATOM 0 H SER A 35 -9.140 4.412 -4.778 1.00 42.41 H new ATOM 0 HA SER A 35 -9.719 2.109 -6.435 1.00 4.10 H new ATOM 0 HB2 SER A 35 -7.695 2.708 -7.602 1.00 65.52 H new ATOM 0 HB3 SER A 35 -8.525 4.204 -7.221 1.00 65.52 H new ATOM 0 HG SER A 35 -6.263 4.305 -6.733 1.00 74.32 H new ATOM 539 N VAL A 36 -7.796 0.426 -5.764 1.00 13.22 N ATOM 540 CA VAL A 36 -7.006 -0.699 -5.199 1.00 52.53 C ATOM 541 C VAL A 36 -5.659 -0.206 -4.612 1.00 41.22 C ATOM 542 O VAL A 36 -5.287 -0.550 -3.484 1.00 62.32 O ATOM 543 CB VAL A 36 -6.721 -1.789 -6.301 1.00 74.33 C ATOM 544 CG1 VAL A 36 -5.999 -3.025 -5.702 1.00 21.14 C ATOM 545 CG2 VAL A 36 -8.026 -2.192 -7.036 1.00 65.53 C ATOM 0 H VAL A 36 -8.048 0.292 -6.743 1.00 13.22 H new ATOM 0 HA VAL A 36 -7.599 -1.138 -4.397 1.00 52.53 H new ATOM 0 HB VAL A 36 -6.049 -1.349 -7.038 1.00 74.33 H new ATOM 0 HG11 VAL A 36 -5.818 -3.757 -6.489 1.00 21.14 H new ATOM 0 HG12 VAL A 36 -5.048 -2.716 -5.268 1.00 21.14 H new ATOM 0 HG13 VAL A 36 -6.623 -3.471 -4.928 1.00 21.14 H new ATOM 0 HG21 VAL A 36 -7.801 -2.945 -7.791 1.00 65.53 H new ATOM 0 HG22 VAL A 36 -8.737 -2.600 -6.318 1.00 65.53 H new ATOM 0 HG23 VAL A 36 -8.459 -1.315 -7.517 1.00 65.53 H new ATOM 555 N GLU A 37 -4.962 0.620 -5.408 1.00 64.12 N ATOM 556 CA GLU A 37 -3.670 1.230 -5.034 1.00 72.50 C ATOM 557 C GLU A 37 -3.791 2.135 -3.785 1.00 73.34 C ATOM 558 O GLU A 37 -2.943 2.077 -2.899 1.00 73.30 O ATOM 559 CB GLU A 37 -3.104 2.024 -6.238 1.00 65.03 C ATOM 560 CG GLU A 37 -2.809 1.148 -7.472 1.00 21.34 C ATOM 561 CD GLU A 37 -2.257 1.930 -8.678 1.00 10.13 C ATOM 562 OE1 GLU A 37 -1.146 2.481 -8.579 1.00 31.42 O ATOM 563 OE2 GLU A 37 -2.941 2.006 -9.726 1.00 13.20 O ATOM 0 H GLU A 37 -5.280 0.888 -6.339 1.00 64.12 H new ATOM 0 HA GLU A 37 -2.981 0.427 -4.772 1.00 72.50 H new ATOM 0 HB2 GLU A 37 -3.816 2.801 -6.517 1.00 65.03 H new ATOM 0 HB3 GLU A 37 -2.186 2.527 -5.932 1.00 65.03 H new ATOM 0 HG2 GLU A 37 -2.092 0.376 -7.194 1.00 21.34 H new ATOM 0 HG3 GLU A 37 -3.725 0.639 -7.771 1.00 21.34 H new ATOM 570 N SER A 38 -4.877 2.934 -3.713 1.00 3.42 N ATOM 571 CA SER A 38 -5.143 3.856 -2.573 1.00 30.32 C ATOM 572 C SER A 38 -5.438 3.097 -1.262 1.00 10.30 C ATOM 573 O SER A 38 -5.011 3.521 -0.185 1.00 11.42 O ATOM 574 CB SER A 38 -6.326 4.797 -2.904 1.00 41.20 C ATOM 575 OG SER A 38 -5.996 5.672 -3.966 1.00 75.34 O ATOM 0 H SER A 38 -5.595 2.963 -4.437 1.00 3.42 H new ATOM 0 HA SER A 38 -4.236 4.442 -2.422 1.00 30.32 H new ATOM 0 HB2 SER A 38 -7.201 4.206 -3.174 1.00 41.20 H new ATOM 0 HB3 SER A 38 -6.593 5.376 -2.020 1.00 41.20 H new ATOM 0 HG SER A 38 -6.218 5.247 -4.821 1.00 75.34 H new ATOM 581 N THR A 39 -6.187 1.988 -1.377 1.00 53.22 N ATOM 582 CA THR A 39 -6.586 1.150 -0.227 1.00 72.13 C ATOM 583 C THR A 39 -5.372 0.403 0.384 1.00 3.54 C ATOM 584 O THR A 39 -5.171 0.452 1.592 1.00 12.43 O ATOM 585 CB THR A 39 -7.710 0.147 -0.652 1.00 23.22 C ATOM 586 OG1 THR A 39 -8.873 0.895 -1.053 1.00 73.43 O ATOM 587 CG2 THR A 39 -8.106 -0.841 0.463 1.00 11.23 C ATOM 0 H THR A 39 -6.535 1.644 -2.272 1.00 53.22 H new ATOM 0 HA THR A 39 -6.982 1.806 0.548 1.00 72.13 H new ATOM 0 HB THR A 39 -7.312 -0.449 -1.474 1.00 23.22 H new ATOM 0 HG1 THR A 39 -8.733 1.260 -1.952 1.00 73.43 H new ATOM 0 HG21 THR A 39 -8.889 -1.506 0.099 1.00 11.23 H new ATOM 0 HG22 THR A 39 -7.236 -1.430 0.753 1.00 11.23 H new ATOM 0 HG23 THR A 39 -8.473 -0.287 1.327 1.00 11.23 H new ATOM 595 N ALA A 40 -4.558 -0.256 -0.473 1.00 12.34 N ATOM 596 CA ALA A 40 -3.321 -0.979 -0.042 1.00 60.13 C ATOM 597 C ALA A 40 -2.280 -0.024 0.606 1.00 61.23 C ATOM 598 O ALA A 40 -1.616 -0.371 1.591 1.00 72.55 O ATOM 599 CB ALA A 40 -2.701 -1.703 -1.249 1.00 4.44 C ATOM 0 H ALA A 40 -4.731 -0.306 -1.477 1.00 12.34 H new ATOM 0 HA ALA A 40 -3.606 -1.706 0.718 1.00 60.13 H new ATOM 0 HB1 ALA A 40 -1.800 -2.229 -0.934 1.00 4.44 H new ATOM 0 HB2 ALA A 40 -3.418 -2.419 -1.651 1.00 4.44 H new ATOM 0 HB3 ALA A 40 -2.445 -0.974 -2.018 1.00 4.44 H new ATOM 605 N LEU A 41 -2.182 1.185 0.030 1.00 32.31 N ATOM 606 CA LEU A 41 -1.317 2.286 0.511 1.00 71.43 C ATOM 607 C LEU A 41 -1.795 2.797 1.908 1.00 72.33 C ATOM 608 O LEU A 41 -0.974 3.079 2.791 1.00 21.12 O ATOM 609 CB LEU A 41 -1.313 3.376 -0.628 1.00 54.35 C ATOM 610 CG LEU A 41 -0.632 4.778 -0.420 1.00 54.20 C ATOM 611 CD1 LEU A 41 -1.571 5.758 0.302 1.00 31.01 C ATOM 612 CD2 LEU A 41 0.743 4.669 0.278 1.00 52.14 C ATOM 0 H LEU A 41 -2.713 1.435 -0.804 1.00 32.31 H new ATOM 0 HA LEU A 41 -0.290 1.968 0.688 1.00 71.43 H new ATOM 0 HB2 LEU A 41 -0.843 2.921 -1.500 1.00 54.35 H new ATOM 0 HB3 LEU A 41 -2.354 3.565 -0.890 1.00 54.35 H new ATOM 0 HG LEU A 41 -0.438 5.186 -1.412 1.00 54.20 H new ATOM 0 HD11 LEU A 41 -1.068 6.717 0.429 1.00 31.01 H new ATOM 0 HD12 LEU A 41 -2.475 5.898 -0.290 1.00 31.01 H new ATOM 0 HD13 LEU A 41 -1.836 5.355 1.279 1.00 31.01 H new ATOM 0 HD21 LEU A 41 1.170 5.665 0.398 1.00 52.14 H new ATOM 0 HD22 LEU A 41 0.618 4.208 1.258 1.00 52.14 H new ATOM 0 HD23 LEU A 41 1.411 4.058 -0.328 1.00 52.14 H new ATOM 624 N ALA A 42 -3.130 2.872 2.100 1.00 53.42 N ATOM 625 CA ALA A 42 -3.752 3.283 3.390 1.00 31.31 C ATOM 626 C ALA A 42 -3.580 2.195 4.486 1.00 51.31 C ATOM 627 O ALA A 42 -3.443 2.511 5.672 1.00 72.45 O ATOM 628 CB ALA A 42 -5.240 3.610 3.178 1.00 12.51 C ATOM 0 H ALA A 42 -3.809 2.652 1.372 1.00 53.42 H new ATOM 0 HA ALA A 42 -3.237 4.178 3.740 1.00 31.31 H new ATOM 0 HB1 ALA A 42 -5.686 3.909 4.127 1.00 12.51 H new ATOM 0 HB2 ALA A 42 -5.335 4.424 2.460 1.00 12.51 H new ATOM 0 HB3 ALA A 42 -5.756 2.728 2.797 1.00 12.51 H new ATOM 634 N VAL A 43 -3.587 0.910 4.067 1.00 62.53 N ATOM 635 CA VAL A 43 -3.301 -0.236 4.965 1.00 64.00 C ATOM 636 C VAL A 43 -1.824 -0.214 5.451 1.00 44.41 C ATOM 637 O VAL A 43 -1.524 -0.650 6.566 1.00 60.22 O ATOM 638 CB VAL A 43 -3.638 -1.618 4.283 1.00 23.32 C ATOM 639 CG1 VAL A 43 -3.228 -2.814 5.181 1.00 54.20 C ATOM 640 CG2 VAL A 43 -5.145 -1.707 3.915 1.00 33.21 C ATOM 0 H VAL A 43 -3.789 0.637 3.105 1.00 62.53 H new ATOM 0 HA VAL A 43 -3.952 -0.129 5.833 1.00 64.00 H new ATOM 0 HB VAL A 43 -3.054 -1.674 3.364 1.00 23.32 H new ATOM 0 HG11 VAL A 43 -3.476 -3.749 4.678 1.00 54.20 H new ATOM 0 HG12 VAL A 43 -2.155 -2.777 5.369 1.00 54.20 H new ATOM 0 HG13 VAL A 43 -3.765 -2.759 6.128 1.00 54.20 H new ATOM 0 HG21 VAL A 43 -5.349 -2.670 3.447 1.00 33.21 H new ATOM 0 HG22 VAL A 43 -5.747 -1.608 4.819 1.00 33.21 H new ATOM 0 HG23 VAL A 43 -5.398 -0.905 3.221 1.00 33.21 H new ATOM 650 N GLY A 44 -0.915 0.312 4.606 1.00 63.23 N ATOM 651 CA GLY A 44 0.490 0.526 4.998 1.00 64.33 C ATOM 652 C GLY A 44 0.658 1.506 6.177 1.00 42.35 C ATOM 653 O GLY A 44 1.604 1.388 6.971 1.00 63.52 O ATOM 0 H GLY A 44 -1.129 0.596 3.650 1.00 63.23 H new ATOM 0 HA2 GLY A 44 0.934 -0.433 5.267 1.00 64.33 H new ATOM 0 HA3 GLY A 44 1.045 0.905 4.139 1.00 64.33 H new ATOM 657 N TRP A 45 -0.275 2.470 6.287 1.00 42.12 N ATOM 658 CA TRP A 45 -0.348 3.411 7.429 1.00 54.35 C ATOM 659 C TRP A 45 -0.894 2.700 8.704 1.00 11.53 C ATOM 660 O TRP A 45 -0.543 3.054 9.832 1.00 43.40 O ATOM 661 CB TRP A 45 -1.237 4.619 7.046 1.00 0.05 C ATOM 662 CG TRP A 45 -1.181 5.774 8.022 1.00 1.44 C ATOM 663 CD1 TRP A 45 -2.091 6.092 8.999 1.00 42.42 C ATOM 664 CD2 TRP A 45 -0.139 6.760 8.115 1.00 22.13 C ATOM 665 NE1 TRP A 45 -1.695 7.229 9.655 1.00 51.21 N ATOM 666 CE2 TRP A 45 -0.502 7.655 9.135 1.00 54.12 C ATOM 667 CE3 TRP A 45 1.062 6.977 7.420 1.00 41.51 C ATOM 668 CZ2 TRP A 45 0.286 8.751 9.478 1.00 54.44 C ATOM 669 CZ3 TRP A 45 1.847 8.062 7.766 1.00 10.24 C ATOM 670 CH2 TRP A 45 1.455 8.939 8.787 1.00 34.24 C ATOM 0 H TRP A 45 -1.002 2.622 5.588 1.00 42.12 H new ATOM 0 HA TRP A 45 0.656 3.768 7.659 1.00 54.35 H new ATOM 0 HB2 TRP A 45 -0.937 4.977 6.061 1.00 0.05 H new ATOM 0 HB3 TRP A 45 -2.270 4.281 6.961 1.00 0.05 H new ATOM 0 HD1 TRP A 45 -2.987 5.530 9.219 1.00 42.42 H new ATOM 0 HE1 TRP A 45 -2.207 7.685 10.410 1.00 51.21 H new ATOM 0 HE3 TRP A 45 1.367 6.308 6.629 1.00 41.51 H new ATOM 0 HZ2 TRP A 45 -0.014 9.430 10.262 1.00 54.44 H new ATOM 0 HZ3 TRP A 45 2.775 8.236 7.242 1.00 10.24 H new ATOM 0 HH2 TRP A 45 2.087 9.780 9.034 1.00 34.24 H new ATOM 681 N LEU A 46 -1.769 1.698 8.503 1.00 30.31 N ATOM 682 CA LEU A 46 -2.266 0.813 9.590 1.00 0.35 C ATOM 683 C LEU A 46 -1.167 -0.160 10.080 1.00 14.31 C ATOM 684 O LEU A 46 -1.186 -0.605 11.230 1.00 41.43 O ATOM 685 CB LEU A 46 -3.509 0.036 9.104 1.00 51.42 C ATOM 686 CG LEU A 46 -4.722 0.918 8.690 1.00 23.20 C ATOM 687 CD1 LEU A 46 -5.858 0.061 8.092 1.00 32.43 C ATOM 688 CD2 LEU A 46 -5.207 1.777 9.887 1.00 24.31 C ATOM 0 H LEU A 46 -2.155 1.473 7.586 1.00 30.31 H new ATOM 0 HA LEU A 46 -2.545 1.438 10.438 1.00 0.35 H new ATOM 0 HB2 LEU A 46 -3.222 -0.581 8.253 1.00 51.42 H new ATOM 0 HB3 LEU A 46 -3.827 -0.642 9.896 1.00 51.42 H new ATOM 0 HG LEU A 46 -4.398 1.603 7.906 1.00 23.20 H new ATOM 0 HD11 LEU A 46 -6.691 0.705 7.812 1.00 32.43 H new ATOM 0 HD12 LEU A 46 -5.492 -0.463 7.209 1.00 32.43 H new ATOM 0 HD13 LEU A 46 -6.194 -0.666 8.832 1.00 32.43 H new ATOM 0 HD21 LEU A 46 -6.056 2.387 9.577 1.00 24.31 H new ATOM 0 HD22 LEU A 46 -5.509 1.123 10.705 1.00 24.31 H new ATOM 0 HD23 LEU A 46 -4.397 2.426 10.221 1.00 24.31 H new ATOM 700 N ALA A 47 -0.253 -0.535 9.162 1.00 2.33 N ATOM 701 CA ALA A 47 0.985 -1.281 9.490 1.00 21.23 C ATOM 702 C ALA A 47 1.944 -0.439 10.376 1.00 74.24 C ATOM 703 O ALA A 47 2.736 -0.998 11.145 1.00 33.34 O ATOM 704 CB ALA A 47 1.680 -1.735 8.194 1.00 10.51 C ATOM 0 H ALA A 47 -0.351 -0.329 8.168 1.00 2.33 H new ATOM 0 HA ALA A 47 0.711 -2.163 10.069 1.00 21.23 H new ATOM 0 HB1 ALA A 47 2.589 -2.283 8.441 1.00 10.51 H new ATOM 0 HB2 ALA A 47 1.009 -2.382 7.629 1.00 10.51 H new ATOM 0 HB3 ALA A 47 1.934 -0.862 7.593 1.00 10.51 H new ATOM 710 N ARG A 48 1.868 0.912 10.252 1.00 64.04 N ATOM 711 CA ARG A 48 2.547 1.850 11.187 1.00 30.40 C ATOM 712 C ARG A 48 1.927 1.737 12.598 1.00 11.44 C ATOM 713 O ARG A 48 2.634 1.724 13.610 1.00 4.42 O ATOM 714 CB ARG A 48 2.424 3.323 10.690 1.00 0.22 C ATOM 715 CG ARG A 48 3.283 4.338 11.485 1.00 22.54 C ATOM 716 CD ARG A 48 2.949 5.805 11.170 1.00 74.53 C ATOM 717 NE ARG A 48 1.674 6.211 11.784 1.00 15.32 N ATOM 718 CZ ARG A 48 1.428 7.374 12.346 1.00 15.33 C ATOM 719 NH1 ARG A 48 2.320 8.317 12.383 1.00 61.15 N ATOM 720 NH2 ARG A 48 0.272 7.583 12.873 1.00 61.05 N ATOM 0 H ARG A 48 1.342 1.377 9.512 1.00 64.04 H new ATOM 0 HA ARG A 48 3.602 1.578 11.225 1.00 30.40 H new ATOM 0 HB2 ARG A 48 2.712 3.365 9.640 1.00 0.22 H new ATOM 0 HB3 ARG A 48 1.379 3.627 10.746 1.00 0.22 H new ATOM 0 HG2 ARG A 48 3.143 4.163 12.552 1.00 22.54 H new ATOM 0 HG3 ARG A 48 4.336 4.159 11.268 1.00 22.54 H new ATOM 0 HD2 ARG A 48 3.750 6.448 11.534 1.00 74.53 H new ATOM 0 HD3 ARG A 48 2.895 5.943 10.090 1.00 74.53 H new ATOM 0 HE ARG A 48 0.915 5.530 11.772 1.00 15.32 H new ATOM 0 HH11 ARG A 48 3.240 8.165 11.969 1.00 61.15 H new ATOM 0 HH12 ARG A 48 2.101 9.209 12.826 1.00 61.15 H new ATOM 0 HH21 ARG A 48 -0.438 6.851 12.851 1.00 61.05 H new ATOM 0 HH22 ARG A 48 0.067 8.480 13.313 1.00 61.05 H new ATOM 734 N GLU A 49 0.583 1.653 12.626 1.00 1.11 N ATOM 735 CA GLU A 49 -0.207 1.477 13.865 1.00 11.24 C ATOM 736 C GLU A 49 -0.054 0.050 14.448 1.00 4.33 C ATOM 737 O GLU A 49 -0.319 -0.168 15.635 1.00 43.25 O ATOM 738 CB GLU A 49 -1.708 1.772 13.580 1.00 55.42 C ATOM 739 CG GLU A 49 -1.997 3.136 12.916 1.00 54.43 C ATOM 740 CD GLU A 49 -1.451 4.321 13.725 1.00 1.52 C ATOM 741 OE1 GLU A 49 -2.111 4.747 14.696 1.00 11.32 O ATOM 742 OE2 GLU A 49 -0.356 4.824 13.404 1.00 52.41 O ATOM 0 H GLU A 49 0.009 1.705 11.785 1.00 1.11 H new ATOM 0 HA GLU A 49 0.174 2.181 14.605 1.00 11.24 H new ATOM 0 HB2 GLU A 49 -2.101 0.983 12.938 1.00 55.42 H new ATOM 0 HB3 GLU A 49 -2.257 1.721 14.521 1.00 55.42 H new ATOM 0 HG2 GLU A 49 -1.557 3.150 11.919 1.00 54.43 H new ATOM 0 HG3 GLU A 49 -3.073 3.253 12.791 1.00 54.43 H new ATOM 749 N ASN A 50 0.333 -0.908 13.567 1.00 53.42 N ATOM 750 CA ASN A 50 0.522 -2.347 13.894 1.00 4.42 C ATOM 751 C ASN A 50 -0.836 -3.021 14.285 1.00 40.11 C ATOM 752 O ASN A 50 -0.872 -4.073 14.925 1.00 32.04 O ATOM 753 CB ASN A 50 1.618 -2.503 15.001 1.00 72.11 C ATOM 754 CG ASN A 50 2.297 -3.872 15.014 1.00 60.34 C ATOM 755 OD1 ASN A 50 3.295 -4.082 14.337 1.00 12.51 O ATOM 756 ND2 ASN A 50 1.769 -4.811 15.770 1.00 44.03 N ATOM 0 H ASN A 50 0.527 -0.698 12.588 1.00 53.42 H new ATOM 0 HA ASN A 50 0.876 -2.873 13.007 1.00 4.42 H new ATOM 0 HB2 ASN A 50 2.377 -1.734 14.858 1.00 72.11 H new ATOM 0 HB3 ASN A 50 1.164 -2.325 15.976 1.00 72.11 H new ATOM 0 HD21 ASN A 50 2.192 -5.739 15.801 1.00 44.03 H new ATOM 0 HD22 ASN A 50 0.937 -4.611 16.325 1.00 44.03 H new ATOM 763 N LYS A 51 -1.954 -2.410 13.834 1.00 10.20 N ATOM 764 CA LYS A 51 -3.332 -2.836 14.199 1.00 55.12 C ATOM 765 C LYS A 51 -3.985 -3.749 13.127 1.00 63.22 C ATOM 766 O LYS A 51 -5.166 -4.107 13.245 1.00 23.45 O ATOM 767 CB LYS A 51 -4.194 -1.569 14.469 1.00 31.22 C ATOM 768 CG LYS A 51 -3.699 -0.735 15.677 1.00 22.53 C ATOM 769 CD LYS A 51 -4.480 0.582 15.895 1.00 55.04 C ATOM 770 CE LYS A 51 -5.972 0.354 16.187 1.00 34.12 C ATOM 771 NZ LYS A 51 -6.662 1.619 16.536 1.00 64.22 N ATOM 0 H LYS A 51 -1.931 -1.607 13.206 1.00 10.20 H new ATOM 0 HA LYS A 51 -3.275 -3.443 15.102 1.00 55.12 H new ATOM 0 HB2 LYS A 51 -4.193 -0.941 13.578 1.00 31.22 H new ATOM 0 HB3 LYS A 51 -5.226 -1.871 14.644 1.00 31.22 H new ATOM 0 HG2 LYS A 51 -3.772 -1.342 16.579 1.00 22.53 H new ATOM 0 HG3 LYS A 51 -2.644 -0.501 15.536 1.00 22.53 H new ATOM 0 HD2 LYS A 51 -4.033 1.130 16.724 1.00 55.04 H new ATOM 0 HD3 LYS A 51 -4.380 1.208 15.008 1.00 55.04 H new ATOM 0 HE2 LYS A 51 -6.449 -0.092 15.315 1.00 34.12 H new ATOM 0 HE3 LYS A 51 -6.078 -0.357 17.007 1.00 34.12 H new ATOM 0 HZ1 LYS A 51 -7.666 1.426 16.726 1.00 64.22 H new ATOM 0 HZ2 LYS A 51 -6.222 2.032 17.383 1.00 64.22 H new ATOM 0 HZ3 LYS A 51 -6.582 2.288 15.744 1.00 64.22 H new ATOM 785 N VAL A 52 -3.202 -4.133 12.097 1.00 1.44 N ATOM 786 CA VAL A 52 -3.636 -5.081 11.036 1.00 42.53 C ATOM 787 C VAL A 52 -2.643 -6.257 10.909 1.00 61.41 C ATOM 788 O VAL A 52 -1.450 -6.112 11.200 1.00 34.41 O ATOM 789 CB VAL A 52 -3.791 -4.377 9.629 1.00 21.30 C ATOM 790 CG1 VAL A 52 -4.923 -3.327 9.660 1.00 50.03 C ATOM 791 CG2 VAL A 52 -2.452 -3.743 9.146 1.00 10.24 C ATOM 0 H VAL A 52 -2.247 -3.796 11.973 1.00 1.44 H new ATOM 0 HA VAL A 52 -4.614 -5.456 11.339 1.00 42.53 H new ATOM 0 HB VAL A 52 -4.061 -5.148 8.908 1.00 21.30 H new ATOM 0 HG11 VAL A 52 -5.010 -2.857 8.681 1.00 50.03 H new ATOM 0 HG12 VAL A 52 -5.864 -3.814 9.913 1.00 50.03 H new ATOM 0 HG13 VAL A 52 -4.695 -2.568 10.408 1.00 50.03 H new ATOM 0 HG21 VAL A 52 -2.603 -3.270 8.176 1.00 10.24 H new ATOM 0 HG22 VAL A 52 -2.123 -2.995 9.867 1.00 10.24 H new ATOM 0 HG23 VAL A 52 -1.693 -4.520 9.057 1.00 10.24 H new ATOM 801 N VAL A 53 -3.153 -7.423 10.481 1.00 71.31 N ATOM 802 CA VAL A 53 -2.327 -8.607 10.154 1.00 14.03 C ATOM 803 C VAL A 53 -2.383 -8.866 8.637 1.00 12.51 C ATOM 804 O VAL A 53 -3.407 -9.282 8.108 1.00 54.43 O ATOM 805 CB VAL A 53 -2.795 -9.893 10.934 1.00 51.02 C ATOM 806 CG1 VAL A 53 -1.953 -11.139 10.534 1.00 12.41 C ATOM 807 CG2 VAL A 53 -2.751 -9.654 12.463 1.00 71.44 C ATOM 0 H VAL A 53 -4.153 -7.576 10.350 1.00 71.31 H new ATOM 0 HA VAL A 53 -1.303 -8.395 10.463 1.00 14.03 H new ATOM 0 HB VAL A 53 -3.829 -10.096 10.653 1.00 51.02 H new ATOM 0 HG11 VAL A 53 -2.303 -12.008 11.091 1.00 12.41 H new ATOM 0 HG12 VAL A 53 -2.063 -11.324 9.465 1.00 12.41 H new ATOM 0 HG13 VAL A 53 -0.903 -10.958 10.765 1.00 12.41 H new ATOM 0 HG21 VAL A 53 -3.078 -10.555 12.982 1.00 71.44 H new ATOM 0 HG22 VAL A 53 -1.732 -9.412 12.764 1.00 71.44 H new ATOM 0 HG23 VAL A 53 -3.412 -8.827 12.721 1.00 71.44 H new ATOM 817 N ILE A 54 -1.289 -8.582 7.941 1.00 30.53 N ATOM 818 CA ILE A 54 -1.174 -8.827 6.493 1.00 0.41 C ATOM 819 C ILE A 54 -0.471 -10.175 6.264 1.00 73.22 C ATOM 820 O ILE A 54 0.708 -10.325 6.603 1.00 54.14 O ATOM 821 CB ILE A 54 -0.380 -7.655 5.822 1.00 64.20 C ATOM 822 CG1 ILE A 54 -1.064 -6.293 6.172 1.00 62.42 C ATOM 823 CG2 ILE A 54 -0.256 -7.859 4.286 1.00 13.40 C ATOM 824 CD1 ILE A 54 -0.302 -5.066 5.728 1.00 10.15 C ATOM 0 H ILE A 54 -0.451 -8.175 8.357 1.00 30.53 H new ATOM 0 HA ILE A 54 -2.164 -8.869 6.040 1.00 0.41 H new ATOM 0 HB ILE A 54 0.636 -7.645 6.217 1.00 64.20 H new ATOM 0 HG12 ILE A 54 -2.054 -6.273 5.716 1.00 62.42 H new ATOM 0 HG13 ILE A 54 -1.209 -6.242 7.251 1.00 62.42 H new ATOM 0 HG21 ILE A 54 0.300 -7.028 3.852 1.00 13.40 H new ATOM 0 HG22 ILE A 54 0.270 -8.792 4.084 1.00 13.40 H new ATOM 0 HG23 ILE A 54 -1.251 -7.900 3.843 1.00 13.40 H new ATOM 0 HD11 ILE A 54 -0.854 -4.171 6.015 1.00 10.15 H new ATOM 0 HD12 ILE A 54 0.679 -5.055 6.204 1.00 10.15 H new ATOM 0 HD13 ILE A 54 -0.180 -5.086 4.645 1.00 10.15 H new ATOM 836 N GLU A 55 -1.208 -11.162 5.721 1.00 31.22 N ATOM 837 CA GLU A 55 -0.669 -12.516 5.492 1.00 71.13 C ATOM 838 C GLU A 55 -1.057 -13.010 4.078 1.00 13.33 C ATOM 839 O GLU A 55 -2.238 -13.008 3.708 1.00 24.04 O ATOM 840 CB GLU A 55 -1.151 -13.498 6.609 1.00 11.35 C ATOM 841 CG GLU A 55 -0.080 -14.502 7.065 1.00 43.20 C ATOM 842 CD GLU A 55 -0.504 -15.344 8.283 1.00 42.24 C ATOM 843 OE1 GLU A 55 -0.494 -14.816 9.413 1.00 71.54 O ATOM 844 OE2 GLU A 55 -0.830 -16.538 8.121 1.00 22.34 O ATOM 0 H GLU A 55 -2.180 -11.047 5.432 1.00 31.22 H new ATOM 0 HA GLU A 55 0.419 -12.481 5.544 1.00 71.13 H new ATOM 0 HB2 GLU A 55 -1.481 -12.918 7.471 1.00 11.35 H new ATOM 0 HB3 GLU A 55 -2.018 -14.048 6.245 1.00 11.35 H new ATOM 0 HG2 GLU A 55 0.156 -15.170 6.237 1.00 43.20 H new ATOM 0 HG3 GLU A 55 0.834 -13.960 7.309 1.00 43.20 H new ATOM 851 N ARG A 56 -0.045 -13.418 3.299 1.00 23.21 N ATOM 852 CA ARG A 56 -0.203 -13.841 1.899 1.00 14.41 C ATOM 853 C ARG A 56 -0.538 -15.343 1.806 1.00 40.31 C ATOM 854 O ARG A 56 0.309 -16.202 2.068 1.00 63.43 O ATOM 855 CB ARG A 56 1.092 -13.504 1.114 1.00 25.35 C ATOM 856 CG ARG A 56 1.384 -11.985 1.034 1.00 42.20 C ATOM 857 CD ARG A 56 2.757 -11.670 0.422 1.00 63.41 C ATOM 858 NE ARG A 56 3.859 -12.215 1.231 1.00 75.53 N ATOM 859 CZ ARG A 56 5.074 -12.459 0.800 1.00 1.12 C ATOM 860 NH1 ARG A 56 5.398 -12.311 -0.443 1.00 45.13 N ATOM 861 NH2 ARG A 56 5.957 -12.888 1.628 1.00 12.01 N ATOM 0 H ARG A 56 0.920 -13.464 3.628 1.00 23.21 H new ATOM 0 HA ARG A 56 -1.038 -13.300 1.455 1.00 14.41 H new ATOM 0 HB2 ARG A 56 1.936 -14.004 1.588 1.00 25.35 H new ATOM 0 HB3 ARG A 56 1.010 -13.905 0.104 1.00 25.35 H new ATOM 0 HG2 ARG A 56 0.608 -11.502 0.440 1.00 42.20 H new ATOM 0 HG3 ARG A 56 1.332 -11.557 2.035 1.00 42.20 H new ATOM 0 HD2 ARG A 56 2.808 -12.083 -0.585 1.00 63.41 H new ATOM 0 HD3 ARG A 56 2.874 -10.590 0.330 1.00 63.41 H new ATOM 0 HE ARG A 56 3.661 -12.421 2.210 1.00 75.53 H new ATOM 0 HH11 ARG A 56 4.701 -11.997 -1.118 1.00 45.13 H new ATOM 0 HH12 ARG A 56 6.351 -12.508 -0.749 1.00 45.13 H new ATOM 0 HH21 ARG A 56 5.710 -13.035 2.607 1.00 12.01 H new ATOM 0 HH22 ARG A 56 6.906 -13.082 1.307 1.00 12.01 H new ATOM 875 N LYS A 57 -1.797 -15.636 1.455 1.00 74.35 N ATOM 876 CA LYS A 57 -2.302 -17.009 1.230 1.00 52.21 C ATOM 877 C LYS A 57 -2.460 -17.239 -0.281 1.00 23.44 C ATOM 878 O LYS A 57 -2.822 -16.317 -0.998 1.00 62.34 O ATOM 879 CB LYS A 57 -3.666 -17.226 1.955 1.00 22.25 C ATOM 880 CG LYS A 57 -3.575 -17.629 3.443 1.00 23.10 C ATOM 881 CD LYS A 57 -2.957 -16.533 4.339 1.00 42.42 C ATOM 882 CE LYS A 57 -3.055 -16.884 5.826 1.00 21.34 C ATOM 883 NZ LYS A 57 -4.460 -17.076 6.254 1.00 60.53 N ATOM 0 H LYS A 57 -2.509 -14.919 1.316 1.00 74.35 H new ATOM 0 HA LYS A 57 -1.590 -17.725 1.641 1.00 52.21 H new ATOM 0 HB2 LYS A 57 -4.246 -16.306 1.881 1.00 22.25 H new ATOM 0 HB3 LYS A 57 -4.222 -17.997 1.422 1.00 22.25 H new ATOM 0 HG2 LYS A 57 -4.574 -17.867 3.809 1.00 23.10 H new ATOM 0 HG3 LYS A 57 -2.979 -18.538 3.530 1.00 23.10 H new ATOM 0 HD2 LYS A 57 -1.911 -16.391 4.068 1.00 42.42 H new ATOM 0 HD3 LYS A 57 -3.465 -15.586 4.156 1.00 42.42 H new ATOM 0 HE2 LYS A 57 -2.487 -17.793 6.023 1.00 21.34 H new ATOM 0 HE3 LYS A 57 -2.600 -16.090 6.418 1.00 21.34 H new ATOM 0 HZ1 LYS A 57 -4.517 -17.025 7.291 1.00 60.53 H new ATOM 0 HZ2 LYS A 57 -5.055 -16.331 5.838 1.00 60.53 H new ATOM 0 HZ3 LYS A 57 -4.796 -18.007 5.934 1.00 60.53 H new ATOM 897 N ASN A 58 -2.127 -18.460 -0.751 1.00 2.35 N ATOM 898 CA ASN A 58 -2.216 -18.893 -2.190 1.00 62.30 C ATOM 899 C ASN A 58 -1.671 -17.830 -3.204 1.00 53.23 C ATOM 900 O ASN A 58 -2.072 -17.795 -4.371 1.00 4.23 O ATOM 901 CB ASN A 58 -3.669 -19.360 -2.559 1.00 20.31 C ATOM 902 CG ASN A 58 -4.734 -18.251 -2.566 1.00 31.50 C ATOM 903 OD1 ASN A 58 -4.965 -17.595 -3.578 1.00 71.32 O ATOM 904 ND2 ASN A 58 -5.410 -18.052 -1.447 1.00 63.50 N ATOM 0 H ASN A 58 -1.780 -19.199 -0.139 1.00 2.35 H new ATOM 0 HA ASN A 58 -1.551 -19.751 -2.285 1.00 62.30 H new ATOM 0 HB2 ASN A 58 -3.644 -19.823 -3.545 1.00 20.31 H new ATOM 0 HB3 ASN A 58 -3.976 -20.131 -1.852 1.00 20.31 H new ATOM 0 HD21 ASN A 58 -6.141 -17.341 -1.412 1.00 63.50 H new ATOM 0 HD22 ASN A 58 -5.201 -18.609 -0.619 1.00 63.50 H new ATOM 911 N GLY A 59 -0.693 -17.020 -2.747 1.00 70.13 N ATOM 912 CA GLY A 59 -0.056 -15.983 -3.572 1.00 25.51 C ATOM 913 C GLY A 59 -0.622 -14.561 -3.394 1.00 51.13 C ATOM 914 O GLY A 59 0.123 -13.587 -3.575 1.00 21.45 O ATOM 0 H GLY A 59 -0.326 -17.070 -1.797 1.00 70.13 H new ATOM 0 HA2 GLY A 59 1.010 -15.964 -3.343 1.00 25.51 H new ATOM 0 HA3 GLY A 59 -0.152 -16.266 -4.620 1.00 25.51 H new ATOM 918 N LEU A 60 -1.924 -14.416 -3.029 1.00 40.33 N ATOM 919 CA LEU A 60 -2.579 -13.073 -2.945 1.00 1.22 C ATOM 920 C LEU A 60 -2.451 -12.449 -1.526 1.00 74.25 C ATOM 921 O LEU A 60 -2.307 -13.161 -0.527 1.00 61.54 O ATOM 922 CB LEU A 60 -4.081 -13.117 -3.429 1.00 52.12 C ATOM 923 CG LEU A 60 -5.236 -13.267 -2.358 1.00 3.33 C ATOM 924 CD1 LEU A 60 -6.618 -13.018 -2.993 1.00 31.14 C ATOM 925 CD2 LEU A 60 -5.221 -14.634 -1.652 1.00 44.22 C ATOM 0 H LEU A 60 -2.536 -15.196 -2.791 1.00 40.33 H new ATOM 0 HA LEU A 60 -2.041 -12.419 -3.631 1.00 1.22 H new ATOM 0 HB2 LEU A 60 -4.271 -12.202 -3.990 1.00 52.12 H new ATOM 0 HB3 LEU A 60 -4.175 -13.946 -4.130 1.00 52.12 H new ATOM 0 HG LEU A 60 -5.047 -12.507 -1.600 1.00 3.33 H new ATOM 0 HD11 LEU A 60 -7.392 -13.128 -2.234 1.00 31.14 H new ATOM 0 HD12 LEU A 60 -6.653 -12.009 -3.404 1.00 31.14 H new ATOM 0 HD13 LEU A 60 -6.787 -13.741 -3.791 1.00 31.14 H new ATOM 0 HD21 LEU A 60 -6.035 -14.679 -0.929 1.00 44.22 H new ATOM 0 HD22 LEU A 60 -5.347 -15.426 -2.390 1.00 44.22 H new ATOM 0 HD23 LEU A 60 -4.270 -14.767 -1.136 1.00 44.22 H new ATOM 937 N ILE A 61 -2.504 -11.100 -1.467 1.00 31.44 N ATOM 938 CA ILE A 61 -2.385 -10.321 -0.209 1.00 44.33 C ATOM 939 C ILE A 61 -3.788 -10.124 0.423 1.00 12.24 C ATOM 940 O ILE A 61 -4.656 -9.470 -0.171 1.00 61.20 O ATOM 941 CB ILE A 61 -1.701 -8.897 -0.443 1.00 51.51 C ATOM 942 CG1 ILE A 61 -0.225 -9.021 -0.984 1.00 22.43 C ATOM 943 CG2 ILE A 61 -1.724 -8.042 0.858 1.00 72.23 C ATOM 944 CD1 ILE A 61 -0.075 -9.491 -2.424 1.00 33.33 C ATOM 0 H ILE A 61 -2.631 -10.516 -2.293 1.00 31.44 H new ATOM 0 HA ILE A 61 -1.745 -10.889 0.466 1.00 44.33 H new ATOM 0 HB ILE A 61 -2.291 -8.393 -1.208 1.00 51.51 H new ATOM 0 HG12 ILE A 61 0.258 -8.048 -0.889 1.00 22.43 H new ATOM 0 HG13 ILE A 61 0.319 -9.711 -0.340 1.00 22.43 H new ATOM 0 HG21 ILE A 61 -1.252 -7.078 0.668 1.00 72.23 H new ATOM 0 HG22 ILE A 61 -2.756 -7.885 1.172 1.00 72.23 H new ATOM 0 HG23 ILE A 61 -1.181 -8.564 1.646 1.00 72.23 H new ATOM 0 HD11 ILE A 61 0.983 -9.537 -2.683 1.00 33.33 H new ATOM 0 HD12 ILE A 61 -0.519 -10.481 -2.532 1.00 33.33 H new ATOM 0 HD13 ILE A 61 -0.581 -8.792 -3.090 1.00 33.33 H new ATOM 956 N GLU A 62 -4.003 -10.686 1.625 1.00 14.13 N ATOM 957 CA GLU A 62 -5.263 -10.523 2.386 1.00 41.20 C ATOM 958 C GLU A 62 -5.015 -9.686 3.653 1.00 44.11 C ATOM 959 O GLU A 62 -4.087 -9.969 4.425 1.00 51.51 O ATOM 960 CB GLU A 62 -5.858 -11.895 2.767 1.00 52.01 C ATOM 961 CG GLU A 62 -6.340 -12.736 1.572 1.00 23.41 C ATOM 962 CD GLU A 62 -7.002 -14.048 2.012 1.00 1.24 C ATOM 963 OE1 GLU A 62 -8.113 -13.990 2.576 1.00 21.44 O ATOM 964 OE2 GLU A 62 -6.405 -15.133 1.837 1.00 74.44 O ATOM 0 H GLU A 62 -3.311 -11.266 2.100 1.00 14.13 H new ATOM 0 HA GLU A 62 -5.979 -10.003 1.750 1.00 41.20 H new ATOM 0 HB2 GLU A 62 -5.106 -12.463 3.315 1.00 52.01 H new ATOM 0 HB3 GLU A 62 -6.696 -11.737 3.446 1.00 52.01 H new ATOM 0 HG2 GLU A 62 -7.049 -12.154 0.983 1.00 23.41 H new ATOM 0 HG3 GLU A 62 -5.493 -12.959 0.923 1.00 23.41 H new ATOM 971 N ILE A 63 -5.837 -8.640 3.840 1.00 41.12 N ATOM 972 CA ILE A 63 -5.759 -7.747 5.005 1.00 3.12 C ATOM 973 C ILE A 63 -6.702 -8.248 6.128 1.00 1.23 C ATOM 974 O ILE A 63 -7.933 -8.155 6.020 1.00 32.14 O ATOM 975 CB ILE A 63 -6.118 -6.262 4.613 1.00 75.04 C ATOM 976 CG1 ILE A 63 -5.357 -5.819 3.310 1.00 21.12 C ATOM 977 CG2 ILE A 63 -5.830 -5.295 5.793 1.00 10.13 C ATOM 978 CD1 ILE A 63 -3.842 -5.964 3.356 1.00 4.21 C ATOM 0 H ILE A 63 -6.577 -8.390 3.184 1.00 41.12 H new ATOM 0 HA ILE A 63 -4.732 -7.759 5.370 1.00 3.12 H new ATOM 0 HB ILE A 63 -7.186 -6.218 4.399 1.00 75.04 H new ATOM 0 HG12 ILE A 63 -5.736 -6.404 2.472 1.00 21.12 H new ATOM 0 HG13 ILE A 63 -5.599 -4.776 3.105 1.00 21.12 H new ATOM 0 HG21 ILE A 63 -6.085 -4.277 5.500 1.00 10.13 H new ATOM 0 HG22 ILE A 63 -6.430 -5.585 6.656 1.00 10.13 H new ATOM 0 HG23 ILE A 63 -4.773 -5.343 6.053 1.00 10.13 H new ATOM 0 HD11 ILE A 63 -3.416 -5.632 2.409 1.00 4.21 H new ATOM 0 HD12 ILE A 63 -3.443 -5.355 4.167 1.00 4.21 H new ATOM 0 HD13 ILE A 63 -3.581 -7.009 3.524 1.00 4.21 H new ATOM 990 N TYR A 64 -6.097 -8.829 7.171 1.00 31.31 N ATOM 991 CA TYR A 64 -6.801 -9.302 8.385 1.00 11.11 C ATOM 992 C TYR A 64 -6.710 -8.248 9.521 1.00 72.11 C ATOM 993 O TYR A 64 -5.995 -7.245 9.402 1.00 32.42 O ATOM 994 CB TYR A 64 -6.166 -10.638 8.883 1.00 73.24 C ATOM 995 CG TYR A 64 -6.021 -11.742 7.814 1.00 4.44 C ATOM 996 CD1 TYR A 64 -7.132 -12.443 7.356 1.00 20.15 C ATOM 997 CD2 TYR A 64 -4.772 -12.094 7.274 1.00 71.43 C ATOM 998 CE1 TYR A 64 -7.013 -13.442 6.411 1.00 44.42 C ATOM 999 CE2 TYR A 64 -4.661 -13.098 6.331 1.00 22.31 C ATOM 1000 CZ TYR A 64 -5.784 -13.765 5.906 1.00 54.04 C ATOM 1001 OH TYR A 64 -5.679 -14.767 4.972 1.00 73.42 O ATOM 0 H TYR A 64 -5.090 -8.989 7.203 1.00 31.31 H new ATOM 0 HA TYR A 64 -7.848 -9.461 8.128 1.00 11.11 H new ATOM 0 HB2 TYR A 64 -5.179 -10.421 9.293 1.00 73.24 H new ATOM 0 HB3 TYR A 64 -6.773 -11.026 9.701 1.00 73.24 H new ATOM 0 HD1 TYR A 64 -8.109 -12.200 7.748 1.00 20.15 H new ATOM 0 HD2 TYR A 64 -3.885 -11.572 7.601 1.00 71.43 H new ATOM 0 HE1 TYR A 64 -7.892 -13.969 6.070 1.00 44.42 H new ATOM 0 HE2 TYR A 64 -3.693 -13.358 5.929 1.00 22.31 H new ATOM 0 HH TYR A 64 -6.567 -14.972 4.611 1.00 73.42 H new ATOM 1011 N ASN A 65 -7.440 -8.493 10.625 1.00 53.40 N ATOM 1012 CA ASN A 65 -7.227 -7.786 11.917 1.00 2.20 C ATOM 1013 C ASN A 65 -6.377 -8.666 12.868 1.00 21.45 C ATOM 1014 O ASN A 65 -6.096 -9.836 12.566 1.00 0.22 O ATOM 1015 CB ASN A 65 -8.571 -7.423 12.613 1.00 52.14 C ATOM 1016 CG ASN A 65 -9.316 -6.269 11.951 1.00 1.35 C ATOM 1017 OD1 ASN A 65 -10.435 -6.552 11.331 1.00 33.42 O flip ATOM 1018 ND2 ASN A 65 -8.916 -5.115 12.060 1.00 71.40 N flip ATOM 0 H ASN A 65 -8.192 -9.182 10.655 1.00 53.40 H new ATOM 0 HA ASN A 65 -6.701 -6.857 11.696 1.00 2.20 H new ATOM 0 HB2 ASN A 65 -9.215 -8.302 12.620 1.00 52.14 H new ATOM 0 HB3 ASN A 65 -8.372 -7.166 13.653 1.00 52.14 H new ATOM 0 HD21 ASN A 65 -8.041 -4.922 12.548 1.00 71.40 H new ATOM 0 HD22 ASN A 65 -9.458 -4.348 11.663 1.00 71.40 H new ATOM 1025 N GLU A 66 -5.943 -8.069 13.997 1.00 33.21 N ATOM 1026 CA GLU A 66 -5.206 -8.780 15.078 1.00 2.32 C ATOM 1027 C GLU A 66 -5.945 -10.072 15.550 1.00 64.11 C ATOM 1028 O GLU A 66 -7.040 -10.005 16.121 1.00 72.42 O ATOM 1029 CB GLU A 66 -4.971 -7.829 16.283 1.00 72.22 C ATOM 1030 CG GLU A 66 -4.178 -8.459 17.449 1.00 53.40 C ATOM 1031 CD GLU A 66 -4.014 -7.509 18.644 1.00 51.02 C ATOM 1032 OE1 GLU A 66 -4.929 -7.445 19.492 1.00 4.13 O ATOM 1033 OE2 GLU A 66 -2.981 -6.809 18.734 1.00 71.14 O ATOM 0 H GLU A 66 -6.091 -7.079 14.191 1.00 33.21 H new ATOM 0 HA GLU A 66 -4.246 -9.088 14.664 1.00 2.32 H new ATOM 0 HB2 GLU A 66 -4.438 -6.945 15.934 1.00 72.22 H new ATOM 0 HB3 GLU A 66 -5.937 -7.492 16.658 1.00 72.22 H new ATOM 0 HG2 GLU A 66 -4.686 -9.365 17.779 1.00 53.40 H new ATOM 0 HG3 GLU A 66 -3.193 -8.758 17.092 1.00 53.40 H new ATOM 1327 N LYS B 3 5.521 -9.210 8.211 1.00 14.30 N ATOM 1328 CA LYS B 3 5.822 -7.917 8.891 1.00 10.43 C ATOM 1329 C LYS B 3 7.246 -7.398 8.532 1.00 64.45 C ATOM 1330 O LYS B 3 7.433 -6.209 8.247 1.00 62.23 O ATOM 1331 CB LYS B 3 5.658 -8.078 10.433 1.00 2.05 C ATOM 1332 CG LYS B 3 5.933 -6.804 11.275 1.00 31.51 C ATOM 1333 CD LYS B 3 4.956 -5.633 10.979 1.00 42.10 C ATOM 1334 CE LYS B 3 3.484 -5.957 11.301 1.00 63.31 C ATOM 1335 NZ LYS B 3 3.305 -6.382 12.713 1.00 10.30 N ATOM 0 HA LYS B 3 5.111 -7.171 8.536 1.00 10.43 H new ATOM 0 HB2 LYS B 3 4.642 -8.415 10.639 1.00 2.05 H new ATOM 0 HB3 LYS B 3 6.330 -8.867 10.771 1.00 2.05 H new ATOM 0 HG2 LYS B 3 5.870 -7.059 12.333 1.00 31.51 H new ATOM 0 HG3 LYS B 3 6.953 -6.470 11.088 1.00 31.51 H new ATOM 0 HD2 LYS B 3 5.262 -4.761 11.558 1.00 42.10 H new ATOM 0 HD3 LYS B 3 5.037 -5.361 9.927 1.00 42.10 H new ATOM 0 HE2 LYS B 3 2.868 -5.079 11.106 1.00 63.31 H new ATOM 0 HE3 LYS B 3 3.133 -6.747 10.637 1.00 63.31 H new ATOM 0 HZ1 LYS B 3 2.331 -6.719 12.853 1.00 10.30 H new ATOM 0 HZ2 LYS B 3 3.972 -7.149 12.932 1.00 10.30 H new ATOM 0 HZ3 LYS B 3 3.486 -5.575 13.344 1.00 10.30 H new ATOM 1349 N LYS B 4 8.235 -8.311 8.531 1.00 41.33 N ATOM 1350 CA LYS B 4 9.631 -7.983 8.146 1.00 21.44 C ATOM 1351 C LYS B 4 9.849 -8.094 6.614 1.00 62.23 C ATOM 1352 O LYS B 4 10.750 -7.443 6.067 1.00 3.34 O ATOM 1353 CB LYS B 4 10.635 -8.893 8.904 1.00 52.20 C ATOM 1354 CG LYS B 4 10.545 -10.404 8.565 1.00 51.51 C ATOM 1355 CD LYS B 4 11.568 -11.261 9.348 1.00 54.05 C ATOM 1356 CE LYS B 4 11.342 -11.229 10.871 1.00 43.21 C ATOM 1357 NZ LYS B 4 12.322 -12.074 11.598 1.00 14.40 N ATOM 0 H LYS B 4 8.098 -9.287 8.793 1.00 41.33 H new ATOM 0 HA LYS B 4 9.812 -6.946 8.429 1.00 21.44 H new ATOM 0 HB2 LYS B 4 11.646 -8.549 8.689 1.00 52.20 H new ATOM 0 HB3 LYS B 4 10.477 -8.768 9.975 1.00 52.20 H new ATOM 0 HG2 LYS B 4 9.538 -10.760 8.783 1.00 51.51 H new ATOM 0 HG3 LYS B 4 10.707 -10.541 7.496 1.00 51.51 H new ATOM 0 HD2 LYS B 4 11.511 -12.292 9.000 1.00 54.05 H new ATOM 0 HD3 LYS B 4 12.575 -10.905 9.128 1.00 54.05 H new ATOM 0 HE2 LYS B 4 11.416 -10.201 11.227 1.00 43.21 H new ATOM 0 HE3 LYS B 4 10.332 -11.572 11.095 1.00 43.21 H new ATOM 0 HZ1 LYS B 4 12.134 -12.023 12.620 1.00 14.40 H new ATOM 0 HZ2 LYS B 4 12.235 -13.060 11.278 1.00 14.40 H new ATOM 0 HZ3 LYS B 4 13.285 -11.732 11.406 1.00 14.40 H new ATOM 1371 N ILE B 5 9.029 -8.934 5.935 1.00 32.21 N ATOM 1372 CA ILE B 5 9.113 -9.128 4.464 1.00 43.54 C ATOM 1373 C ILE B 5 8.710 -7.839 3.715 1.00 52.13 C ATOM 1374 O ILE B 5 9.422 -7.406 2.817 1.00 54.41 O ATOM 1375 CB ILE B 5 8.238 -10.345 3.973 1.00 33.55 C ATOM 1376 CG1 ILE B 5 8.746 -11.677 4.621 1.00 40.30 C ATOM 1377 CG2 ILE B 5 8.217 -10.451 2.418 1.00 43.54 C ATOM 1378 CD1 ILE B 5 7.949 -12.921 4.249 1.00 2.20 C ATOM 0 H ILE B 5 8.300 -9.489 6.383 1.00 32.21 H new ATOM 0 HA ILE B 5 10.153 -9.359 4.233 1.00 43.54 H new ATOM 0 HB ILE B 5 7.212 -10.171 4.296 1.00 33.55 H new ATOM 0 HG12 ILE B 5 9.786 -11.830 4.332 1.00 40.30 H new ATOM 0 HG13 ILE B 5 8.730 -11.565 5.705 1.00 40.30 H new ATOM 0 HG21 ILE B 5 7.604 -11.301 2.120 1.00 43.54 H new ATOM 0 HG22 ILE B 5 7.799 -9.537 1.997 1.00 43.54 H new ATOM 0 HG23 ILE B 5 9.233 -10.589 2.049 1.00 43.54 H new ATOM 0 HD11 ILE B 5 8.378 -13.790 4.747 1.00 2.20 H new ATOM 0 HD12 ILE B 5 6.913 -12.797 4.564 1.00 2.20 H new ATOM 0 HD13 ILE B 5 7.985 -13.067 3.169 1.00 2.20 H new ATOM 1390 N VAL B 6 7.589 -7.209 4.128 1.00 22.43 N ATOM 1391 CA VAL B 6 7.122 -5.923 3.543 1.00 70.13 C ATOM 1392 C VAL B 6 8.129 -4.784 3.828 1.00 31.33 C ATOM 1393 O VAL B 6 8.193 -3.819 3.079 1.00 53.43 O ATOM 1394 CB VAL B 6 5.676 -5.527 4.042 1.00 22.52 C ATOM 1395 CG1 VAL B 6 4.664 -6.629 3.656 1.00 34.15 C ATOM 1396 CG2 VAL B 6 5.649 -5.238 5.569 1.00 3.51 C ATOM 0 H VAL B 6 6.985 -7.568 4.867 1.00 22.43 H new ATOM 0 HA VAL B 6 7.062 -6.071 2.465 1.00 70.13 H new ATOM 0 HB VAL B 6 5.387 -4.601 3.546 1.00 22.52 H new ATOM 0 HG11 VAL B 6 3.670 -6.348 4.004 1.00 34.15 H new ATOM 0 HG12 VAL B 6 4.650 -6.746 2.572 1.00 34.15 H new ATOM 0 HG13 VAL B 6 4.958 -7.571 4.119 1.00 34.15 H new ATOM 0 HG21 VAL B 6 4.637 -4.970 5.871 1.00 3.51 H new ATOM 0 HG22 VAL B 6 5.966 -6.128 6.113 1.00 3.51 H new ATOM 0 HG23 VAL B 6 6.326 -4.414 5.795 1.00 3.51 H new ATOM 1406 N GLY B 7 8.900 -4.930 4.932 1.00 10.34 N ATOM 1407 CA GLY B 7 10.009 -4.025 5.256 1.00 3.43 C ATOM 1408 C GLY B 7 11.164 -4.088 4.251 1.00 20.22 C ATOM 1409 O GLY B 7 11.591 -3.060 3.710 1.00 72.15 O ATOM 0 H GLY B 7 8.765 -5.676 5.614 1.00 10.34 H new ATOM 0 HA2 GLY B 7 9.632 -3.003 5.301 1.00 3.43 H new ATOM 0 HA3 GLY B 7 10.388 -4.269 6.249 1.00 3.43 H new ATOM 1413 N ALA B 8 11.648 -5.317 3.989 1.00 11.51 N ATOM 1414 CA ALA B 8 12.758 -5.574 3.039 1.00 32.12 C ATOM 1415 C ALA B 8 12.345 -5.263 1.573 1.00 33.42 C ATOM 1416 O ALA B 8 13.125 -4.700 0.795 1.00 21.13 O ATOM 1417 CB ALA B 8 13.227 -7.031 3.179 1.00 34.50 C ATOM 0 H ALA B 8 11.284 -6.163 4.428 1.00 11.51 H new ATOM 0 HA ALA B 8 13.583 -4.905 3.285 1.00 32.12 H new ATOM 0 HB1 ALA B 8 14.043 -7.219 2.481 1.00 34.50 H new ATOM 0 HB2 ALA B 8 13.574 -7.205 4.198 1.00 34.50 H new ATOM 0 HB3 ALA B 8 12.398 -7.703 2.958 1.00 34.50 H new ATOM 1423 N ASN B 9 11.097 -5.627 1.230 1.00 55.14 N ATOM 1424 CA ASN B 9 10.487 -5.366 -0.096 1.00 50.11 C ATOM 1425 C ASN B 9 10.230 -3.857 -0.315 1.00 63.24 C ATOM 1426 O ASN B 9 10.270 -3.384 -1.450 1.00 63.50 O ATOM 1427 CB ASN B 9 9.165 -6.174 -0.246 1.00 33.24 C ATOM 1428 CG ASN B 9 9.374 -7.695 -0.329 1.00 51.11 C ATOM 1429 OD1 ASN B 9 10.364 -8.235 0.154 1.00 62.11 O ATOM 1430 ND2 ASN B 9 8.419 -8.402 -0.901 1.00 51.43 N ATOM 0 H ASN B 9 10.472 -6.117 1.870 1.00 55.14 H new ATOM 0 HA ASN B 9 11.191 -5.693 -0.861 1.00 50.11 H new ATOM 0 HB2 ASN B 9 8.516 -5.951 0.601 1.00 33.24 H new ATOM 0 HB3 ASN B 9 8.645 -5.839 -1.143 1.00 33.24 H new ATOM 0 HD21 ASN B 9 8.495 -9.418 -0.948 1.00 51.43 H new ATOM 0 HD22 ASN B 9 7.604 -7.933 -1.296 1.00 51.43 H new ATOM 1437 N ALA B 10 9.993 -3.111 0.783 1.00 32.42 N ATOM 1438 CA ALA B 10 9.815 -1.641 0.733 1.00 63.24 C ATOM 1439 C ALA B 10 11.163 -0.929 0.480 1.00 55.22 C ATOM 1440 O ALA B 10 11.224 0.037 -0.275 1.00 73.10 O ATOM 1441 CB ALA B 10 9.178 -1.134 2.029 1.00 74.11 C ATOM 0 H ALA B 10 9.920 -3.503 1.722 1.00 32.42 H new ATOM 0 HA ALA B 10 9.148 -1.409 -0.097 1.00 63.24 H new ATOM 0 HB1 ALA B 10 9.055 -0.052 1.975 1.00 74.11 H new ATOM 0 HB2 ALA B 10 8.204 -1.604 2.164 1.00 74.11 H new ATOM 0 HB3 ALA B 10 9.821 -1.384 2.873 1.00 74.11 H new ATOM 1447 N GLY B 11 12.245 -1.441 1.105 1.00 51.25 N ATOM 1448 CA GLY B 11 13.613 -0.941 0.846 1.00 5.20 C ATOM 1449 C GLY B 11 14.044 -1.151 -0.617 1.00 21.15 C ATOM 1450 O GLY B 11 14.789 -0.346 -1.191 1.00 13.11 O ATOM 0 H GLY B 11 12.199 -2.196 1.789 1.00 51.25 H new ATOM 0 HA2 GLY B 11 13.661 0.121 1.088 1.00 5.20 H new ATOM 0 HA3 GLY B 11 14.315 -1.451 1.506 1.00 5.20 H new ATOM 1454 N LYS B 12 13.534 -2.247 -1.205 1.00 63.53 N ATOM 1455 CA LYS B 12 13.714 -2.598 -2.630 1.00 20.54 C ATOM 1456 C LYS B 12 12.949 -1.612 -3.568 1.00 60.13 C ATOM 1457 O LYS B 12 13.417 -1.288 -4.669 1.00 63.53 O ATOM 1458 CB LYS B 12 13.219 -4.055 -2.836 1.00 63.44 C ATOM 1459 CG LYS B 12 13.490 -4.652 -4.226 1.00 21.33 C ATOM 1460 CD LYS B 12 12.984 -6.108 -4.348 1.00 35.50 C ATOM 1461 CE LYS B 12 13.368 -6.744 -5.688 1.00 14.13 C ATOM 1462 NZ LYS B 12 12.854 -8.126 -5.819 1.00 73.13 N ATOM 0 H LYS B 12 12.973 -2.929 -0.695 1.00 63.53 H new ATOM 0 HA LYS B 12 14.769 -2.519 -2.891 1.00 20.54 H new ATOM 0 HB2 LYS B 12 13.692 -4.691 -2.088 1.00 63.44 H new ATOM 0 HB3 LYS B 12 12.146 -4.086 -2.649 1.00 63.44 H new ATOM 0 HG2 LYS B 12 13.005 -4.037 -4.984 1.00 21.33 H new ATOM 0 HG3 LYS B 12 14.561 -4.624 -4.429 1.00 21.33 H new ATOM 0 HD2 LYS B 12 13.397 -6.704 -3.534 1.00 35.50 H new ATOM 0 HD3 LYS B 12 11.900 -6.124 -4.237 1.00 35.50 H new ATOM 0 HE2 LYS B 12 12.977 -6.134 -6.503 1.00 14.13 H new ATOM 0 HE3 LYS B 12 14.453 -6.751 -5.787 1.00 14.13 H new ATOM 0 HZ1 LYS B 12 13.439 -8.651 -6.500 1.00 73.13 H new ATOM 0 HZ2 LYS B 12 12.892 -8.599 -4.894 1.00 73.13 H new ATOM 0 HZ3 LYS B 12 11.870 -8.100 -6.155 1.00 73.13 H new ATOM 1476 N VAL B 13 11.765 -1.150 -3.113 1.00 2.30 N ATOM 1477 CA VAL B 13 10.961 -0.114 -3.819 1.00 62.44 C ATOM 1478 C VAL B 13 11.653 1.276 -3.759 1.00 21.23 C ATOM 1479 O VAL B 13 11.667 2.027 -4.744 1.00 35.43 O ATOM 1480 CB VAL B 13 9.503 -0.030 -3.219 1.00 24.50 C ATOM 1481 CG1 VAL B 13 8.700 1.152 -3.811 1.00 23.15 C ATOM 1482 CG2 VAL B 13 8.740 -1.363 -3.424 1.00 12.21 C ATOM 0 H VAL B 13 11.335 -1.480 -2.249 1.00 2.30 H new ATOM 0 HA VAL B 13 10.889 -0.410 -4.866 1.00 62.44 H new ATOM 0 HB VAL B 13 9.608 0.148 -2.149 1.00 24.50 H new ATOM 0 HG11 VAL B 13 7.703 1.172 -3.370 1.00 23.15 H new ATOM 0 HG12 VAL B 13 9.213 2.088 -3.590 1.00 23.15 H new ATOM 0 HG13 VAL B 13 8.617 1.031 -4.891 1.00 23.15 H new ATOM 0 HG21 VAL B 13 7.739 -1.278 -3.002 1.00 12.21 H new ATOM 0 HG22 VAL B 13 8.667 -1.580 -4.490 1.00 12.21 H new ATOM 0 HG23 VAL B 13 9.277 -2.170 -2.925 1.00 12.21 H new ATOM 1492 N TRP B 14 12.229 1.597 -2.588 1.00 15.03 N ATOM 1493 CA TRP B 14 12.965 2.865 -2.364 1.00 13.14 C ATOM 1494 C TRP B 14 14.260 2.918 -3.230 1.00 71.20 C ATOM 1495 O TRP B 14 14.694 3.995 -3.655 1.00 70.34 O ATOM 1496 CB TRP B 14 13.275 3.053 -0.852 1.00 5.14 C ATOM 1497 CG TRP B 14 13.757 4.444 -0.498 1.00 4.45 C ATOM 1498 CD1 TRP B 14 12.991 5.547 -0.231 1.00 21.42 C ATOM 1499 CD2 TRP B 14 15.113 4.874 -0.394 1.00 23.24 C ATOM 1500 NE1 TRP B 14 13.798 6.625 0.039 1.00 41.14 N ATOM 1501 CE2 TRP B 14 15.106 6.237 -0.061 1.00 64.03 C ATOM 1502 CE3 TRP B 14 16.326 4.223 -0.554 1.00 4.33 C ATOM 1503 CZ2 TRP B 14 16.281 6.964 0.119 1.00 20.12 C ATOM 1504 CZ3 TRP B 14 17.496 4.936 -0.378 1.00 3.22 C ATOM 1505 CH2 TRP B 14 17.467 6.299 -0.043 1.00 61.44 C ATOM 0 H TRP B 14 12.201 0.990 -1.769 1.00 15.03 H new ATOM 0 HA TRP B 14 12.332 3.695 -2.679 1.00 13.14 H new ATOM 0 HB2 TRP B 14 12.377 2.832 -0.276 1.00 5.14 H new ATOM 0 HB3 TRP B 14 14.032 2.328 -0.553 1.00 5.14 H new ATOM 0 HD1 TRP B 14 11.911 5.566 -0.232 1.00 21.42 H new ATOM 0 HE1 TRP B 14 13.474 7.563 0.276 1.00 41.14 H new ATOM 0 HE3 TRP B 14 16.356 3.175 -0.812 1.00 4.33 H new ATOM 0 HZ2 TRP B 14 16.257 8.013 0.377 1.00 20.12 H new ATOM 0 HZ3 TRP B 14 18.446 4.438 -0.500 1.00 3.22 H new ATOM 0 HH2 TRP B 14 18.397 6.833 0.089 1.00 61.44 H new ATOM 1516 N HIS B 15 14.873 1.735 -3.461 1.00 11.51 N ATOM 1517 CA HIS B 15 15.984 1.555 -4.435 1.00 20.31 C ATOM 1518 C HIS B 15 15.586 2.058 -5.852 1.00 42.41 C ATOM 1519 O HIS B 15 16.387 2.704 -6.541 1.00 73.02 O ATOM 1520 CB HIS B 15 16.400 0.049 -4.477 1.00 43.13 C ATOM 1521 CG HIS B 15 17.260 -0.355 -5.657 1.00 21.14 C ATOM 1522 ND1 HIS B 15 18.629 -0.220 -5.679 1.00 21.45 N ATOM 1523 CD2 HIS B 15 16.928 -0.872 -6.870 1.00 11.20 C ATOM 1524 CE1 HIS B 15 19.095 -0.624 -6.841 1.00 52.34 C ATOM 1525 NE2 HIS B 15 18.088 -1.024 -7.581 1.00 75.23 N ATOM 0 H HIS B 15 14.614 0.874 -2.979 1.00 11.51 H new ATOM 0 HA HIS B 15 16.834 2.154 -4.108 1.00 20.31 H new ATOM 0 HB2 HIS B 15 16.938 -0.187 -3.559 1.00 43.13 H new ATOM 0 HB3 HIS B 15 15.496 -0.560 -4.482 1.00 43.13 H new ATOM 0 HD2 HIS B 15 15.933 -1.117 -7.210 1.00 11.20 H new ATOM 0 HE1 HIS B 15 20.134 -0.626 -7.137 1.00 52.34 H new ATOM 0 HE2 HIS B 15 18.158 -1.389 -8.531 1.00 75.23 H new ATOM 1534 N ALA B 16 14.346 1.738 -6.265 1.00 22.13 N ATOM 1535 CA ALA B 16 13.804 2.112 -7.593 1.00 52.31 C ATOM 1536 C ALA B 16 13.655 3.644 -7.763 1.00 10.22 C ATOM 1537 O ALA B 16 13.745 4.166 -8.880 1.00 43.31 O ATOM 1538 CB ALA B 16 12.464 1.412 -7.823 1.00 45.21 C ATOM 0 H ALA B 16 13.688 1.212 -5.690 1.00 22.13 H new ATOM 0 HA ALA B 16 14.521 1.782 -8.344 1.00 52.31 H new ATOM 0 HB1 ALA B 16 12.071 1.691 -8.801 1.00 45.21 H new ATOM 0 HB2 ALA B 16 12.606 0.332 -7.784 1.00 45.21 H new ATOM 0 HB3 ALA B 16 11.758 1.713 -7.049 1.00 45.21 H new ATOM 1544 N LEU B 17 13.411 4.340 -6.638 1.00 65.25 N ATOM 1545 CA LEU B 17 13.398 5.821 -6.578 1.00 40.10 C ATOM 1546 C LEU B 17 14.782 6.413 -6.923 1.00 63.21 C ATOM 1547 O LEU B 17 14.888 7.404 -7.654 1.00 22.03 O ATOM 1548 CB LEU B 17 12.969 6.286 -5.165 1.00 22.14 C ATOM 1549 CG LEU B 17 11.509 5.957 -4.751 1.00 54.01 C ATOM 1550 CD1 LEU B 17 11.216 6.468 -3.326 1.00 23.23 C ATOM 1551 CD2 LEU B 17 10.506 6.526 -5.780 1.00 65.30 C ATOM 0 H LEU B 17 13.216 3.895 -5.741 1.00 65.25 H new ATOM 0 HA LEU B 17 12.682 6.181 -7.317 1.00 40.10 H new ATOM 0 HB2 LEU B 17 13.642 5.834 -4.436 1.00 22.14 H new ATOM 0 HB3 LEU B 17 13.108 7.365 -5.102 1.00 22.14 H new ATOM 0 HG LEU B 17 11.389 4.874 -4.741 1.00 54.01 H new ATOM 0 HD11 LEU B 17 10.188 6.227 -3.057 1.00 23.23 H new ATOM 0 HD12 LEU B 17 11.897 5.991 -2.621 1.00 23.23 H new ATOM 0 HD13 LEU B 17 11.356 7.548 -3.291 1.00 23.23 H new ATOM 0 HD21 LEU B 17 9.490 6.284 -5.470 1.00 65.30 H new ATOM 0 HD22 LEU B 17 10.619 7.609 -5.838 1.00 65.30 H new ATOM 0 HD23 LEU B 17 10.701 6.088 -6.759 1.00 65.30 H new ATOM 1563 N ASN B 18 15.840 5.784 -6.377 1.00 22.24 N ATOM 1564 CA ASN B 18 17.245 6.199 -6.609 1.00 52.24 C ATOM 1565 C ASN B 18 17.655 6.027 -8.097 1.00 4.14 C ATOM 1566 O ASN B 18 18.612 6.658 -8.562 1.00 32.13 O ATOM 1567 CB ASN B 18 18.196 5.390 -5.688 1.00 64.33 C ATOM 1568 CG ASN B 18 17.753 5.334 -4.218 1.00 43.14 C ATOM 1569 OD1 ASN B 18 17.085 6.363 -3.717 1.00 3.04 O flip ATOM 1570 ND2 ASN B 18 18.027 4.364 -3.522 1.00 1.12 N flip ATOM 0 H ASN B 18 15.750 4.975 -5.763 1.00 22.24 H new ATOM 0 HA ASN B 18 17.327 7.259 -6.367 1.00 52.24 H new ATOM 0 HB2 ASN B 18 18.275 4.373 -6.071 1.00 64.33 H new ATOM 0 HB3 ASN B 18 19.193 5.828 -5.739 1.00 64.33 H new ATOM 0 HD21 ASN B 18 18.542 3.579 -3.921 1.00 1.12 H new ATOM 0 HD22 ASN B 18 17.740 4.341 -2.543 1.00 1.12 H new ATOM 1577 N GLU B 19 16.928 5.149 -8.822 1.00 54.22 N ATOM 1578 CA GLU B 19 17.080 4.974 -10.279 1.00 45.24 C ATOM 1579 C GLU B 19 16.401 6.145 -11.034 1.00 20.10 C ATOM 1580 O GLU B 19 17.029 6.787 -11.886 1.00 54.22 O ATOM 1581 CB GLU B 19 16.476 3.611 -10.714 1.00 13.20 C ATOM 1582 CG GLU B 19 17.116 2.383 -10.023 1.00 63.40 C ATOM 1583 CD GLU B 19 16.495 1.049 -10.471 1.00 5.24 C ATOM 1584 OE1 GLU B 19 16.714 0.644 -11.631 1.00 34.24 O ATOM 1585 OE2 GLU B 19 15.757 0.415 -9.691 1.00 62.40 O ATOM 0 H GLU B 19 16.219 4.542 -8.411 1.00 54.22 H new ATOM 0 HA GLU B 19 18.141 4.978 -10.530 1.00 45.24 H new ATOM 0 HB2 GLU B 19 15.407 3.616 -10.503 1.00 13.20 H new ATOM 0 HB3 GLU B 19 16.587 3.505 -11.793 1.00 13.20 H new ATOM 0 HG2 GLU B 19 18.185 2.369 -10.236 1.00 63.40 H new ATOM 0 HG3 GLU B 19 17.007 2.483 -8.943 1.00 63.40 H new ATOM 1592 N ALA B 20 15.123 6.425 -10.680 1.00 3.35 N ATOM 1593 CA ALA B 20 14.320 7.524 -11.279 1.00 24.11 C ATOM 1594 C ALA B 20 12.994 7.739 -10.498 1.00 54.30 C ATOM 1595 O ALA B 20 12.215 6.795 -10.325 1.00 54.11 O ATOM 1596 CB ALA B 20 14.019 7.240 -12.769 1.00 55.44 C ATOM 0 H ALA B 20 14.617 5.895 -9.970 1.00 3.35 H new ATOM 0 HA ALA B 20 14.911 8.437 -11.211 1.00 24.11 H new ATOM 0 HB1 ALA B 20 13.431 8.058 -13.184 1.00 55.44 H new ATOM 0 HB2 ALA B 20 14.956 7.152 -13.319 1.00 55.44 H new ATOM 0 HB3 ALA B 20 13.458 6.310 -12.856 1.00 55.44 H new ATOM 1602 N ASP B 21 12.755 8.983 -10.021 1.00 53.13 N ATOM 1603 CA ASP B 21 11.498 9.366 -9.323 1.00 3.22 C ATOM 1604 C ASP B 21 10.300 9.526 -10.297 1.00 52.45 C ATOM 1605 O ASP B 21 10.459 9.456 -11.525 1.00 65.13 O ATOM 1606 CB ASP B 21 11.718 10.677 -8.526 1.00 10.24 C ATOM 1607 CG ASP B 21 12.058 11.880 -9.412 1.00 71.34 C ATOM 1608 OD1 ASP B 21 13.209 11.981 -9.877 1.00 32.33 O ATOM 1609 OD2 ASP B 21 11.180 12.743 -9.632 1.00 42.24 O ATOM 0 H ASP B 21 13.423 9.749 -10.107 1.00 53.13 H new ATOM 0 HA ASP B 21 11.246 8.555 -8.640 1.00 3.22 H new ATOM 0 HB2 ASP B 21 10.818 10.900 -7.953 1.00 10.24 H new ATOM 0 HB3 ASP B 21 12.524 10.525 -7.808 1.00 10.24 H new ATOM 1614 N GLY B 22 9.102 9.772 -9.725 1.00 75.33 N ATOM 1615 CA GLY B 22 7.865 9.884 -10.512 1.00 11.42 C ATOM 1616 C GLY B 22 7.390 8.541 -11.073 1.00 41.30 C ATOM 1617 O GLY B 22 6.620 8.499 -12.037 1.00 1.14 O ATOM 0 H GLY B 22 8.970 9.896 -8.721 1.00 75.33 H new ATOM 0 HA2 GLY B 22 7.080 10.308 -9.886 1.00 11.42 H new ATOM 0 HA3 GLY B 22 8.027 10.579 -11.336 1.00 11.42 H new ATOM 1621 N ILE B 23 7.866 7.442 -10.454 1.00 34.22 N ATOM 1622 CA ILE B 23 7.580 6.062 -10.890 1.00 53.21 C ATOM 1623 C ILE B 23 6.227 5.578 -10.295 1.00 63.11 C ATOM 1624 O ILE B 23 6.017 5.626 -9.084 1.00 22.43 O ATOM 1625 CB ILE B 23 8.779 5.095 -10.497 1.00 50.44 C ATOM 1626 CG1 ILE B 23 8.553 3.639 -11.030 1.00 43.12 C ATOM 1627 CG2 ILE B 23 9.060 5.098 -8.967 1.00 45.43 C ATOM 1628 CD1 ILE B 23 8.498 3.509 -12.543 1.00 10.31 C ATOM 0 H ILE B 23 8.465 7.489 -9.630 1.00 34.22 H new ATOM 0 HA ILE B 23 7.488 6.043 -11.976 1.00 53.21 H new ATOM 0 HB ILE B 23 9.668 5.490 -10.988 1.00 50.44 H new ATOM 0 HG12 ILE B 23 9.355 3.003 -10.655 1.00 43.12 H new ATOM 0 HG13 ILE B 23 7.621 3.257 -10.614 1.00 43.12 H new ATOM 0 HG21 ILE B 23 9.887 4.423 -8.748 1.00 45.43 H new ATOM 0 HG22 ILE B 23 9.321 6.107 -8.647 1.00 45.43 H new ATOM 0 HG23 ILE B 23 8.170 4.767 -8.433 1.00 45.43 H new ATOM 0 HD11 ILE B 23 8.339 2.465 -12.813 1.00 10.31 H new ATOM 0 HD12 ILE B 23 7.678 4.113 -12.931 1.00 10.31 H new ATOM 0 HD13 ILE B 23 9.438 3.855 -12.972 1.00 10.31 H new ATOM 1640 N SER B 24 5.299 5.140 -11.165 1.00 55.44 N ATOM 1641 CA SER B 24 3.948 4.690 -10.743 1.00 5.55 C ATOM 1642 C SER B 24 3.976 3.205 -10.329 1.00 34.53 C ATOM 1643 O SER B 24 4.706 2.414 -10.932 1.00 62.43 O ATOM 1644 CB SER B 24 2.933 4.912 -11.884 1.00 33.02 C ATOM 1645 OG SER B 24 1.599 4.648 -11.474 1.00 3.41 O ATOM 0 H SER B 24 5.456 5.086 -12.171 1.00 55.44 H new ATOM 0 HA SER B 24 3.639 5.280 -9.880 1.00 5.55 H new ATOM 0 HB2 SER B 24 3.006 5.940 -12.238 1.00 33.02 H new ATOM 0 HB3 SER B 24 3.187 4.267 -12.725 1.00 33.02 H new ATOM 0 HG SER B 24 1.395 5.169 -10.669 1.00 3.41 H new ATOM 1651 N ILE B 25 3.127 2.847 -9.342 1.00 70.44 N ATOM 1652 CA ILE B 25 3.087 1.499 -8.694 1.00 33.32 C ATOM 1653 C ILE B 25 3.037 0.280 -9.695 1.00 10.24 C ATOM 1654 O ILE B 25 3.756 -0.699 -9.465 1.00 30.44 O ATOM 1655 CB ILE B 25 1.890 1.419 -7.666 1.00 5.32 C ATOM 1656 CG1 ILE B 25 2.079 2.471 -6.524 1.00 64.13 C ATOM 1657 CG2 ILE B 25 1.677 -0.012 -7.096 1.00 72.05 C ATOM 1658 CD1 ILE B 25 0.919 2.569 -5.545 1.00 51.32 C ATOM 0 H ILE B 25 2.434 3.491 -8.960 1.00 70.44 H new ATOM 0 HA ILE B 25 4.040 1.402 -8.173 1.00 33.32 H new ATOM 0 HB ILE B 25 0.979 1.661 -8.214 1.00 5.32 H new ATOM 0 HG12 ILE B 25 2.984 2.224 -5.969 1.00 64.13 H new ATOM 0 HG13 ILE B 25 2.239 3.450 -6.975 1.00 64.13 H new ATOM 0 HG21 ILE B 25 0.842 -0.004 -6.396 1.00 72.05 H new ATOM 0 HG22 ILE B 25 1.460 -0.700 -7.913 1.00 72.05 H new ATOM 0 HG23 ILE B 25 2.580 -0.336 -6.579 1.00 72.05 H new ATOM 0 HD11 ILE B 25 1.142 3.324 -4.791 1.00 51.32 H new ATOM 0 HD12 ILE B 25 0.013 2.849 -6.082 1.00 51.32 H new ATOM 0 HD13 ILE B 25 0.770 1.604 -5.060 1.00 51.32 H new ATOM 1670 N PRO B 26 2.186 0.285 -10.796 1.00 15.13 N ATOM 1671 CA PRO B 26 2.181 -0.816 -11.808 1.00 45.20 C ATOM 1672 C PRO B 26 3.566 -1.096 -12.459 1.00 71.15 C ATOM 1673 O PRO B 26 4.014 -2.239 -12.501 1.00 22.31 O ATOM 1674 CB PRO B 26 1.159 -0.333 -12.877 1.00 0.32 C ATOM 1675 CG PRO B 26 0.264 0.615 -12.141 1.00 5.43 C ATOM 1676 CD PRO B 26 1.133 1.294 -11.111 1.00 51.33 C ATOM 0 HA PRO B 26 1.922 -1.765 -11.338 1.00 45.20 H new ATOM 0 HB2 PRO B 26 1.660 0.160 -13.710 1.00 0.32 H new ATOM 0 HB3 PRO B 26 0.596 -1.168 -13.293 1.00 0.32 H new ATOM 0 HG2 PRO B 26 -0.176 1.344 -12.822 1.00 5.43 H new ATOM 0 HG3 PRO B 26 -0.561 0.084 -11.666 1.00 5.43 H new ATOM 0 HD2 PRO B 26 1.568 2.214 -11.501 1.00 51.33 H new ATOM 0 HD3 PRO B 26 0.561 1.563 -10.223 1.00 51.33 H new ATOM 1684 N GLU B 27 4.247 -0.030 -12.913 1.00 42.50 N ATOM 1685 CA GLU B 27 5.563 -0.131 -13.617 1.00 24.44 C ATOM 1686 C GLU B 27 6.668 -0.512 -12.618 1.00 42.12 C ATOM 1687 O GLU B 27 7.582 -1.300 -12.896 1.00 31.22 O ATOM 1688 CB GLU B 27 5.892 1.231 -14.269 1.00 12.40 C ATOM 1689 CG GLU B 27 7.152 1.252 -15.164 1.00 50.02 C ATOM 1690 CD GLU B 27 7.111 0.237 -16.324 1.00 13.41 C ATOM 1691 OE1 GLU B 27 6.217 0.351 -17.195 1.00 34.33 O ATOM 1692 OE2 GLU B 27 7.958 -0.681 -16.366 1.00 24.11 O ATOM 0 H GLU B 27 3.913 0.928 -12.809 1.00 42.50 H new ATOM 0 HA GLU B 27 5.506 -0.902 -14.385 1.00 24.44 H new ATOM 0 HB2 GLU B 27 5.037 1.544 -14.868 1.00 12.40 H new ATOM 0 HB3 GLU B 27 6.016 1.972 -13.479 1.00 12.40 H new ATOM 0 HG2 GLU B 27 7.277 2.254 -15.575 1.00 50.02 H new ATOM 0 HG3 GLU B 27 8.027 1.049 -14.547 1.00 50.02 H new ATOM 1699 N LEU B 28 6.519 0.079 -11.444 1.00 10.43 N ATOM 1700 CA LEU B 28 7.354 -0.138 -10.257 1.00 2.45 C ATOM 1701 C LEU B 28 7.295 -1.618 -9.787 1.00 4.20 C ATOM 1702 O LEU B 28 8.292 -2.168 -9.318 1.00 75.22 O ATOM 1703 CB LEU B 28 6.815 0.845 -9.194 1.00 73.32 C ATOM 1704 CG LEU B 28 7.409 0.824 -7.769 1.00 41.35 C ATOM 1705 CD1 LEU B 28 8.924 1.093 -7.765 1.00 4.55 C ATOM 1706 CD2 LEU B 28 6.632 1.829 -6.886 1.00 33.11 C ATOM 0 H LEU B 28 5.777 0.759 -11.277 1.00 10.43 H new ATOM 0 HA LEU B 28 8.409 0.048 -10.457 1.00 2.45 H new ATOM 0 HB2 LEU B 28 6.944 1.854 -9.587 1.00 73.32 H new ATOM 0 HB3 LEU B 28 5.743 0.673 -9.103 1.00 73.32 H new ATOM 0 HG LEU B 28 7.292 -0.176 -7.352 1.00 41.35 H new ATOM 0 HD11 LEU B 28 9.295 1.068 -6.740 1.00 4.55 H new ATOM 0 HD12 LEU B 28 9.431 0.328 -8.353 1.00 4.55 H new ATOM 0 HD13 LEU B 28 9.121 2.074 -8.198 1.00 4.55 H new ATOM 0 HD21 LEU B 28 7.044 1.821 -5.877 1.00 33.11 H new ATOM 0 HD22 LEU B 28 6.723 2.830 -7.308 1.00 33.11 H new ATOM 0 HD23 LEU B 28 5.580 1.545 -6.850 1.00 33.11 H new ATOM 1718 N ALA B 29 6.112 -2.242 -9.968 1.00 63.44 N ATOM 1719 CA ALA B 29 5.866 -3.673 -9.662 1.00 3.42 C ATOM 1720 C ALA B 29 6.756 -4.623 -10.509 1.00 45.42 C ATOM 1721 O ALA B 29 7.189 -5.668 -10.018 1.00 63.22 O ATOM 1722 CB ALA B 29 4.376 -4.003 -9.864 1.00 0.51 C ATOM 0 H ALA B 29 5.289 -1.763 -10.335 1.00 63.44 H new ATOM 0 HA ALA B 29 6.137 -3.836 -8.619 1.00 3.42 H new ATOM 0 HB1 ALA B 29 4.202 -5.055 -9.638 1.00 0.51 H new ATOM 0 HB2 ALA B 29 3.773 -3.385 -9.199 1.00 0.51 H new ATOM 0 HB3 ALA B 29 4.096 -3.803 -10.898 1.00 0.51 H new ATOM 1728 N ARG B 30 7.016 -4.244 -11.787 1.00 61.21 N ATOM 1729 CA ARG B 30 7.964 -4.982 -12.674 1.00 21.31 C ATOM 1730 C ARG B 30 9.403 -4.895 -12.120 1.00 65.15 C ATOM 1731 O ARG B 30 10.128 -5.890 -12.083 1.00 24.24 O ATOM 1732 CB ARG B 30 7.960 -4.434 -14.141 1.00 73.41 C ATOM 1733 CG ARG B 30 6.725 -4.787 -15.007 1.00 54.14 C ATOM 1734 CD ARG B 30 5.443 -4.072 -14.565 1.00 21.01 C ATOM 1735 NE ARG B 30 4.314 -4.324 -15.476 1.00 20.21 N ATOM 1736 CZ ARG B 30 3.051 -4.415 -15.119 1.00 61.12 C ATOM 1737 NH1 ARG B 30 2.688 -4.332 -13.875 1.00 24.05 N ATOM 1738 NH2 ARG B 30 2.151 -4.590 -16.024 1.00 32.13 N ATOM 0 H ARG B 30 6.585 -3.433 -12.230 1.00 61.21 H new ATOM 0 HA ARG B 30 7.625 -6.018 -12.692 1.00 21.31 H new ATOM 0 HB2 ARG B 30 8.049 -3.348 -14.100 1.00 73.41 H new ATOM 0 HB3 ARG B 30 8.850 -4.808 -14.647 1.00 73.41 H new ATOM 0 HG2 ARG B 30 6.934 -4.531 -16.046 1.00 54.14 H new ATOM 0 HG3 ARG B 30 6.562 -5.864 -14.971 1.00 54.14 H new ATOM 0 HD2 ARG B 30 5.176 -4.400 -13.561 1.00 21.01 H new ATOM 0 HD3 ARG B 30 5.629 -2.999 -14.511 1.00 21.01 H new ATOM 0 HE ARG B 30 4.529 -4.437 -16.467 1.00 20.21 H new ATOM 0 HH11 ARG B 30 3.389 -4.193 -13.147 1.00 24.05 H new ATOM 0 HH12 ARG B 30 1.702 -4.406 -13.626 1.00 24.05 H new ATOM 0 HH21 ARG B 30 2.421 -4.657 -17.005 1.00 32.13 H new ATOM 0 HH22 ARG B 30 1.169 -4.662 -15.759 1.00 32.13 H new ATOM 1752 N LYS B 31 9.783 -3.678 -11.686 1.00 22.44 N ATOM 1753 CA LYS B 31 11.142 -3.373 -11.181 1.00 35.43 C ATOM 1754 C LYS B 31 11.467 -4.144 -9.879 1.00 51.15 C ATOM 1755 O LYS B 31 12.591 -4.619 -9.693 1.00 63.43 O ATOM 1756 CB LYS B 31 11.279 -1.843 -10.949 1.00 35.53 C ATOM 1757 CG LYS B 31 11.085 -0.992 -12.225 1.00 4.40 C ATOM 1758 CD LYS B 31 11.286 0.525 -11.985 1.00 34.34 C ATOM 1759 CE LYS B 31 12.696 0.869 -11.461 1.00 5.32 C ATOM 1760 NZ LYS B 31 13.775 0.371 -12.357 1.00 34.20 N ATOM 0 H LYS B 31 9.156 -2.874 -11.674 1.00 22.44 H new ATOM 0 HA LYS B 31 11.860 -3.698 -11.934 1.00 35.43 H new ATOM 0 HB2 LYS B 31 10.547 -1.532 -10.203 1.00 35.53 H new ATOM 0 HB3 LYS B 31 12.265 -1.636 -10.534 1.00 35.53 H new ATOM 0 HG2 LYS B 31 11.787 -1.328 -12.988 1.00 4.40 H new ATOM 0 HG3 LYS B 31 10.082 -1.161 -12.617 1.00 4.40 H new ATOM 0 HD2 LYS B 31 11.110 1.062 -12.917 1.00 34.34 H new ATOM 0 HD3 LYS B 31 10.542 0.876 -11.269 1.00 34.34 H new ATOM 0 HE2 LYS B 31 12.787 1.950 -11.355 1.00 5.32 H new ATOM 0 HE3 LYS B 31 12.826 0.439 -10.468 1.00 5.32 H new ATOM 0 HZ1 LYS B 31 14.600 1.000 -12.290 1.00 34.20 H new ATOM 0 HZ2 LYS B 31 14.048 -0.590 -12.070 1.00 34.20 H new ATOM 0 HZ3 LYS B 31 13.431 0.355 -13.338 1.00 34.20 H new ATOM 1774 N VAL B 32 10.469 -4.260 -8.988 1.00 22.52 N ATOM 1775 CA VAL B 32 10.623 -4.944 -7.679 1.00 62.24 C ATOM 1776 C VAL B 32 10.118 -6.412 -7.700 1.00 10.21 C ATOM 1777 O VAL B 32 10.226 -7.113 -6.684 1.00 64.41 O ATOM 1778 CB VAL B 32 9.903 -4.128 -6.542 1.00 34.31 C ATOM 1779 CG1 VAL B 32 10.471 -2.689 -6.472 1.00 64.55 C ATOM 1780 CG2 VAL B 32 8.361 -4.117 -6.727 1.00 71.51 C ATOM 0 H VAL B 32 9.533 -3.886 -9.147 1.00 22.52 H new ATOM 0 HA VAL B 32 11.692 -4.984 -7.471 1.00 62.24 H new ATOM 0 HB VAL B 32 10.104 -4.626 -5.593 1.00 34.31 H new ATOM 0 HG11 VAL B 32 9.964 -2.136 -5.681 1.00 64.55 H new ATOM 0 HG12 VAL B 32 11.539 -2.729 -6.259 1.00 64.55 H new ATOM 0 HG13 VAL B 32 10.310 -2.187 -7.426 1.00 64.55 H new ATOM 0 HG21 VAL B 32 7.902 -3.543 -5.922 1.00 71.51 H new ATOM 0 HG22 VAL B 32 8.113 -3.660 -7.685 1.00 71.51 H new ATOM 0 HG23 VAL B 32 7.985 -5.140 -6.704 1.00 71.51 H new ATOM 1790 N ASN B 33 9.556 -6.852 -8.854 1.00 51.11 N ATOM 1791 CA ASN B 33 9.095 -8.254 -9.092 1.00 72.34 C ATOM 1792 C ASN B 33 7.916 -8.650 -8.127 1.00 44.22 C ATOM 1793 O ASN B 33 7.708 -9.822 -7.798 1.00 4.35 O ATOM 1794 CB ASN B 33 10.319 -9.231 -9.020 1.00 50.11 C ATOM 1795 CG ASN B 33 10.032 -10.660 -9.509 1.00 32.34 C ATOM 1796 OD1 ASN B 33 10.134 -10.956 -10.692 1.00 3.41 O ATOM 1797 ND2 ASN B 33 9.693 -11.558 -8.606 1.00 10.23 N ATOM 0 H ASN B 33 9.406 -6.241 -9.657 1.00 51.11 H new ATOM 0 HA ASN B 33 8.678 -8.331 -10.096 1.00 72.34 H new ATOM 0 HB2 ASN B 33 11.133 -8.815 -9.614 1.00 50.11 H new ATOM 0 HB3 ASN B 33 10.668 -9.278 -7.989 1.00 50.11 H new ATOM 0 HD21 ASN B 33 9.510 -12.521 -8.888 1.00 10.23 H new ATOM 0 HD22 ASN B 33 9.614 -11.290 -7.625 1.00 10.23 H new ATOM 1804 N LEU B 34 7.123 -7.646 -7.707 1.00 74.35 N ATOM 1805 CA LEU B 34 5.920 -7.850 -6.857 1.00 43.31 C ATOM 1806 C LEU B 34 4.633 -7.587 -7.667 1.00 33.31 C ATOM 1807 O LEU B 34 4.682 -7.032 -8.768 1.00 11.43 O ATOM 1808 CB LEU B 34 5.969 -6.908 -5.618 1.00 43.14 C ATOM 1809 CG LEU B 34 7.179 -7.091 -4.645 1.00 50.41 C ATOM 1810 CD1 LEU B 34 7.148 -6.032 -3.518 1.00 65.45 C ATOM 1811 CD2 LEU B 34 7.229 -8.531 -4.074 1.00 35.43 C ATOM 0 H LEU B 34 7.293 -6.668 -7.944 1.00 74.35 H new ATOM 0 HA LEU B 34 5.913 -8.885 -6.516 1.00 43.31 H new ATOM 0 HB2 LEU B 34 5.971 -5.878 -5.974 1.00 43.14 H new ATOM 0 HB3 LEU B 34 5.050 -7.047 -5.048 1.00 43.14 H new ATOM 0 HG LEU B 34 8.095 -6.938 -5.216 1.00 50.41 H new ATOM 0 HD11 LEU B 34 8.000 -6.181 -2.855 1.00 65.45 H new ATOM 0 HD12 LEU B 34 7.198 -5.035 -3.955 1.00 65.45 H new ATOM 0 HD13 LEU B 34 6.224 -6.133 -2.949 1.00 65.45 H new ATOM 0 HD21 LEU B 34 8.081 -8.626 -3.401 1.00 35.43 H new ATOM 0 HD22 LEU B 34 6.309 -8.737 -3.526 1.00 35.43 H new ATOM 0 HD23 LEU B 34 7.331 -9.244 -4.892 1.00 35.43 H new ATOM 1823 N SER B 35 3.481 -8.009 -7.116 1.00 21.14 N ATOM 1824 CA SER B 35 2.145 -7.658 -7.661 1.00 3.11 C ATOM 1825 C SER B 35 1.800 -6.183 -7.349 1.00 55.25 C ATOM 1826 O SER B 35 2.403 -5.591 -6.453 1.00 52.22 O ATOM 1827 CB SER B 35 1.069 -8.591 -7.061 1.00 14.12 C ATOM 1828 OG SER B 35 -0.219 -8.302 -7.573 1.00 4.51 O ATOM 0 H SER B 35 3.443 -8.600 -6.285 1.00 21.14 H new ATOM 0 HA SER B 35 2.167 -7.786 -8.743 1.00 3.11 H new ATOM 0 HB2 SER B 35 1.323 -9.628 -7.280 1.00 14.12 H new ATOM 0 HB3 SER B 35 1.061 -8.487 -5.976 1.00 14.12 H new ATOM 0 HG SER B 35 -0.874 -8.912 -7.174 1.00 4.51 H new ATOM 1834 N VAL B 36 0.823 -5.606 -8.082 1.00 2.23 N ATOM 1835 CA VAL B 36 0.388 -4.188 -7.896 1.00 72.23 C ATOM 1836 C VAL B 36 -0.036 -3.904 -6.429 1.00 54.35 C ATOM 1837 O VAL B 36 0.393 -2.918 -5.837 1.00 31.21 O ATOM 1838 CB VAL B 36 -0.794 -3.815 -8.873 1.00 44.12 C ATOM 1839 CG1 VAL B 36 -1.282 -2.348 -8.672 1.00 72.32 C ATOM 1840 CG2 VAL B 36 -0.395 -4.077 -10.347 1.00 33.15 C ATOM 0 H VAL B 36 0.312 -6.098 -8.815 1.00 2.23 H new ATOM 0 HA VAL B 36 1.250 -3.564 -8.133 1.00 72.23 H new ATOM 0 HB VAL B 36 -1.634 -4.464 -8.627 1.00 44.12 H new ATOM 0 HG11 VAL B 36 -2.096 -2.137 -9.366 1.00 72.32 H new ATOM 0 HG12 VAL B 36 -1.635 -2.219 -7.649 1.00 72.32 H new ATOM 0 HG13 VAL B 36 -0.457 -1.661 -8.861 1.00 72.32 H new ATOM 0 HG21 VAL B 36 -1.226 -3.812 -11.001 1.00 33.15 H new ATOM 0 HG22 VAL B 36 0.475 -3.471 -10.602 1.00 33.15 H new ATOM 0 HG23 VAL B 36 -0.153 -5.132 -10.476 1.00 33.15 H new ATOM 1850 N GLU B 37 -0.867 -4.802 -5.871 1.00 1.52 N ATOM 1851 CA GLU B 37 -1.325 -4.746 -4.456 1.00 72.03 C ATOM 1852 C GLU B 37 -0.150 -4.843 -3.453 1.00 72.24 C ATOM 1853 O GLU B 37 -0.105 -4.108 -2.463 1.00 15.12 O ATOM 1854 CB GLU B 37 -2.341 -5.885 -4.206 1.00 51.04 C ATOM 1855 CG GLU B 37 -3.614 -5.770 -5.063 1.00 53.12 C ATOM 1856 CD GLU B 37 -4.542 -6.982 -4.937 1.00 22.23 C ATOM 1857 OE1 GLU B 37 -5.144 -7.168 -3.863 1.00 0.25 O ATOM 1858 OE2 GLU B 37 -4.652 -7.774 -5.902 1.00 42.43 O ATOM 0 H GLU B 37 -1.247 -5.596 -6.386 1.00 1.52 H new ATOM 0 HA GLU B 37 -1.799 -3.778 -4.293 1.00 72.03 H new ATOM 0 HB2 GLU B 37 -1.860 -6.842 -4.410 1.00 51.04 H new ATOM 0 HB3 GLU B 37 -2.621 -5.887 -3.152 1.00 51.04 H new ATOM 0 HG2 GLU B 37 -4.159 -4.872 -4.772 1.00 53.12 H new ATOM 0 HG3 GLU B 37 -3.330 -5.646 -6.108 1.00 53.12 H new ATOM 1865 N SER B 38 0.805 -5.748 -3.741 1.00 71.24 N ATOM 1866 CA SER B 38 2.010 -5.966 -2.893 1.00 0.03 C ATOM 1867 C SER B 38 2.954 -4.739 -2.915 1.00 72.42 C ATOM 1868 O SER B 38 3.594 -4.420 -1.913 1.00 52.33 O ATOM 1869 CB SER B 38 2.779 -7.222 -3.372 1.00 50.23 C ATOM 1870 OG SER B 38 3.917 -7.487 -2.566 1.00 75.24 O ATOM 0 H SER B 38 0.770 -6.350 -4.563 1.00 71.24 H new ATOM 0 HA SER B 38 1.669 -6.113 -1.868 1.00 0.03 H new ATOM 0 HB2 SER B 38 2.113 -8.084 -3.353 1.00 50.23 H new ATOM 0 HB3 SER B 38 3.092 -7.083 -4.407 1.00 50.23 H new ATOM 0 HG SER B 38 4.282 -8.367 -2.794 1.00 75.24 H new ATOM 1876 N THR B 39 3.023 -4.074 -4.081 1.00 53.40 N ATOM 1877 CA THR B 39 3.886 -2.891 -4.309 1.00 60.32 C ATOM 1878 C THR B 39 3.233 -1.607 -3.731 1.00 42.23 C ATOM 1879 O THR B 39 3.926 -0.727 -3.220 1.00 71.33 O ATOM 1880 CB THR B 39 4.179 -2.707 -5.839 1.00 60.23 C ATOM 1881 OG1 THR B 39 4.735 -3.919 -6.372 1.00 45.12 O ATOM 1882 CG2 THR B 39 5.153 -1.551 -6.121 1.00 61.03 C ATOM 0 H THR B 39 2.479 -4.341 -4.901 1.00 53.40 H new ATOM 0 HA THR B 39 4.829 -3.060 -3.790 1.00 60.32 H new ATOM 0 HB THR B 39 3.230 -2.468 -6.318 1.00 60.23 H new ATOM 0 HG1 THR B 39 4.027 -4.589 -6.468 1.00 45.12 H new ATOM 0 HG21 THR B 39 5.320 -1.469 -7.195 1.00 61.03 H new ATOM 0 HG22 THR B 39 4.729 -0.619 -5.748 1.00 61.03 H new ATOM 0 HG23 THR B 39 6.102 -1.744 -5.620 1.00 61.03 H new ATOM 1890 N ALA B 40 1.889 -1.536 -3.802 1.00 51.32 N ATOM 1891 CA ALA B 40 1.089 -0.419 -3.231 1.00 75.32 C ATOM 1892 C ALA B 40 1.109 -0.452 -1.688 1.00 11.42 C ATOM 1893 O ALA B 40 1.072 0.583 -1.022 1.00 45.22 O ATOM 1894 CB ALA B 40 -0.353 -0.481 -3.760 1.00 3.20 C ATOM 0 H ALA B 40 1.320 -2.250 -4.257 1.00 51.32 H new ATOM 0 HA ALA B 40 1.538 0.523 -3.546 1.00 75.32 H new ATOM 0 HB1 ALA B 40 -0.931 0.340 -3.337 1.00 3.20 H new ATOM 0 HB2 ALA B 40 -0.346 -0.398 -4.847 1.00 3.20 H new ATOM 0 HB3 ALA B 40 -0.806 -1.430 -3.472 1.00 3.20 H new ATOM 1900 N LEU B 41 1.158 -1.669 -1.142 1.00 44.15 N ATOM 1901 CA LEU B 41 1.339 -1.902 0.301 1.00 61.44 C ATOM 1902 C LEU B 41 2.823 -1.649 0.714 1.00 53.40 C ATOM 1903 O LEU B 41 3.087 -1.156 1.814 1.00 1.01 O ATOM 1904 CB LEU B 41 0.821 -3.342 0.639 1.00 4.11 C ATOM 1905 CG LEU B 41 0.886 -3.846 2.130 1.00 61.03 C ATOM 1906 CD1 LEU B 41 2.240 -4.491 2.459 1.00 21.12 C ATOM 1907 CD2 LEU B 41 0.561 -2.720 3.138 1.00 5.21 C ATOM 0 H LEU B 41 1.073 -2.527 -1.687 1.00 44.15 H new ATOM 0 HA LEU B 41 0.753 -1.196 0.890 1.00 61.44 H new ATOM 0 HB2 LEU B 41 -0.218 -3.402 0.316 1.00 4.11 H new ATOM 0 HB3 LEU B 41 1.386 -4.047 0.028 1.00 4.11 H new ATOM 0 HG LEU B 41 0.117 -4.612 2.228 1.00 61.03 H new ATOM 0 HD11 LEU B 41 2.242 -4.824 3.497 1.00 21.12 H new ATOM 0 HD12 LEU B 41 2.405 -5.346 1.803 1.00 21.12 H new ATOM 0 HD13 LEU B 41 3.036 -3.761 2.311 1.00 21.12 H new ATOM 0 HD21 LEU B 41 0.618 -3.113 4.153 1.00 5.21 H new ATOM 0 HD22 LEU B 41 1.280 -1.909 3.022 1.00 5.21 H new ATOM 0 HD23 LEU B 41 -0.444 -2.343 2.951 1.00 5.21 H new ATOM 1919 N ALA B 42 3.778 -1.970 -0.186 1.00 5.53 N ATOM 1920 CA ALA B 42 5.227 -1.743 0.057 1.00 51.33 C ATOM 1921 C ALA B 42 5.568 -0.226 0.139 1.00 63.10 C ATOM 1922 O ALA B 42 6.355 0.191 0.994 1.00 15.52 O ATOM 1923 CB ALA B 42 6.069 -2.429 -1.031 1.00 34.50 C ATOM 0 H ALA B 42 3.574 -2.389 -1.093 1.00 5.53 H new ATOM 0 HA ALA B 42 5.472 -2.186 1.022 1.00 51.33 H new ATOM 0 HB1 ALA B 42 7.127 -2.253 -0.838 1.00 34.50 H new ATOM 0 HB2 ALA B 42 5.872 -3.501 -1.021 1.00 34.50 H new ATOM 0 HB3 ALA B 42 5.806 -2.020 -2.007 1.00 34.50 H new ATOM 1929 N VAL B 43 4.955 0.597 -0.752 1.00 34.25 N ATOM 1930 CA VAL B 43 5.073 2.083 -0.683 1.00 63.14 C ATOM 1931 C VAL B 43 4.334 2.640 0.562 1.00 70.43 C ATOM 1932 O VAL B 43 4.704 3.693 1.090 1.00 65.51 O ATOM 1933 CB VAL B 43 4.576 2.826 -1.995 1.00 71.43 C ATOM 1934 CG1 VAL B 43 5.329 2.320 -3.243 1.00 21.14 C ATOM 1935 CG2 VAL B 43 3.043 2.720 -2.196 1.00 4.31 C ATOM 0 H VAL B 43 4.377 0.262 -1.523 1.00 34.25 H new ATOM 0 HA VAL B 43 6.140 2.290 -0.597 1.00 63.14 H new ATOM 0 HB VAL B 43 4.806 3.883 -1.858 1.00 71.43 H new ATOM 0 HG11 VAL B 43 4.967 2.847 -4.125 1.00 21.14 H new ATOM 0 HG12 VAL B 43 6.397 2.504 -3.123 1.00 21.14 H new ATOM 0 HG13 VAL B 43 5.156 1.250 -3.363 1.00 21.14 H new ATOM 0 HG21 VAL B 43 2.758 3.245 -3.108 1.00 4.31 H new ATOM 0 HG22 VAL B 43 2.758 1.671 -2.278 1.00 4.31 H new ATOM 0 HG23 VAL B 43 2.532 3.169 -1.344 1.00 4.31 H new ATOM 1945 N GLY B 44 3.270 1.923 0.996 1.00 63.50 N ATOM 1946 CA GLY B 44 2.575 2.212 2.257 1.00 52.23 C ATOM 1947 C GLY B 44 3.450 1.977 3.498 1.00 23.11 C ATOM 1948 O GLY B 44 3.321 2.686 4.503 1.00 3.11 O ATOM 0 H GLY B 44 2.878 1.135 0.481 1.00 63.50 H new ATOM 0 HA2 GLY B 44 2.238 3.248 2.249 1.00 52.23 H new ATOM 0 HA3 GLY B 44 1.684 1.587 2.325 1.00 52.23 H new ATOM 1952 N TRP B 45 4.334 0.963 3.432 1.00 21.14 N ATOM 1953 CA TRP B 45 5.338 0.708 4.489 1.00 31.31 C ATOM 1954 C TRP B 45 6.455 1.786 4.445 1.00 54.23 C ATOM 1955 O TRP B 45 7.004 2.163 5.477 1.00 5.32 O ATOM 1956 CB TRP B 45 5.936 -0.717 4.352 1.00 10.23 C ATOM 1957 CG TRP B 45 6.897 -1.079 5.471 1.00 2.33 C ATOM 1958 CD1 TRP B 45 8.256 -0.912 5.484 1.00 1.45 C ATOM 1959 CD2 TRP B 45 6.562 -1.634 6.755 1.00 62.54 C ATOM 1960 NE1 TRP B 45 8.776 -1.346 6.671 1.00 71.12 N ATOM 1961 CE2 TRP B 45 7.764 -1.794 7.467 1.00 42.33 C ATOM 1962 CE3 TRP B 45 5.366 -2.021 7.363 1.00 62.30 C ATOM 1963 CZ2 TRP B 45 7.807 -2.318 8.757 1.00 25.44 C ATOM 1964 CZ3 TRP B 45 5.404 -2.542 8.645 1.00 64.42 C ATOM 1965 CH2 TRP B 45 6.620 -2.687 9.330 1.00 31.23 C ATOM 0 H TRP B 45 4.375 0.303 2.655 1.00 21.14 H new ATOM 0 HA TRP B 45 4.841 0.769 5.457 1.00 31.31 H new ATOM 0 HB2 TRP B 45 5.124 -1.443 4.332 1.00 10.23 H new ATOM 0 HB3 TRP B 45 6.456 -0.794 3.397 1.00 10.23 H new ATOM 0 HD1 TRP B 45 8.834 -0.497 4.672 1.00 1.45 H new ATOM 0 HE1 TRP B 45 9.765 -1.336 6.922 1.00 71.12 H new ATOM 0 HE3 TRP B 45 4.426 -1.916 6.841 1.00 62.30 H new ATOM 0 HZ2 TRP B 45 8.742 -2.429 9.285 1.00 25.44 H new ATOM 0 HZ3 TRP B 45 4.484 -2.841 9.125 1.00 64.42 H new ATOM 0 HH2 TRP B 45 6.619 -3.098 10.329 1.00 31.23 H new ATOM 1976 N LEU B 46 6.789 2.270 3.234 1.00 73.21 N ATOM 1977 CA LEU B 46 7.691 3.434 3.059 1.00 22.45 C ATOM 1978 C LEU B 46 7.055 4.744 3.595 1.00 71.54 C ATOM 1979 O LEU B 46 7.775 5.680 3.947 1.00 1.32 O ATOM 1980 CB LEU B 46 8.150 3.579 1.585 1.00 24.43 C ATOM 1981 CG LEU B 46 9.202 2.535 1.093 1.00 73.32 C ATOM 1982 CD1 LEU B 46 9.569 2.749 -0.391 1.00 25.42 C ATOM 1983 CD2 LEU B 46 10.468 2.555 1.989 1.00 74.04 C ATOM 0 H LEU B 46 6.449 1.875 2.357 1.00 73.21 H new ATOM 0 HA LEU B 46 8.581 3.246 3.659 1.00 22.45 H new ATOM 0 HB2 LEU B 46 7.272 3.512 0.943 1.00 24.43 H new ATOM 0 HB3 LEU B 46 8.567 4.577 1.451 1.00 24.43 H new ATOM 0 HG LEU B 46 8.745 1.549 1.176 1.00 73.32 H new ATOM 0 HD11 LEU B 46 10.303 2.003 -0.695 1.00 25.42 H new ATOM 0 HD12 LEU B 46 8.674 2.649 -1.005 1.00 25.42 H new ATOM 0 HD13 LEU B 46 9.989 3.746 -0.522 1.00 25.42 H new ATOM 0 HD21 LEU B 46 11.184 1.819 1.624 1.00 74.04 H new ATOM 0 HD22 LEU B 46 10.920 3.546 1.958 1.00 74.04 H new ATOM 0 HD23 LEU B 46 10.191 2.314 3.015 1.00 74.04 H new ATOM 1995 N ALA B 47 5.708 4.823 3.583 1.00 51.31 N ATOM 1996 CA ALA B 47 4.954 5.891 4.289 1.00 21.14 C ATOM 1997 C ALA B 47 5.147 5.805 5.833 1.00 52.51 C ATOM 1998 O ALA B 47 5.147 6.838 6.516 1.00 34.22 O ATOM 1999 CB ALA B 47 3.461 5.841 3.914 1.00 72.30 C ATOM 0 H ALA B 47 5.113 4.157 3.090 1.00 51.31 H new ATOM 0 HA ALA B 47 5.356 6.851 3.965 1.00 21.14 H new ATOM 0 HB1 ALA B 47 2.927 6.631 4.442 1.00 72.30 H new ATOM 0 HB2 ALA B 47 3.351 5.984 2.839 1.00 72.30 H new ATOM 0 HB3 ALA B 47 3.047 4.873 4.196 1.00 72.30 H new ATOM 2005 N ARG B 48 5.311 4.566 6.380 1.00 31.32 N ATOM 2006 CA ARG B 48 5.717 4.358 7.801 1.00 63.12 C ATOM 2007 C ARG B 48 7.147 4.908 8.034 1.00 4.45 C ATOM 2008 O ARG B 48 7.422 5.559 9.045 1.00 23.42 O ATOM 2009 CB ARG B 48 5.700 2.846 8.182 1.00 34.43 C ATOM 2010 CG ARG B 48 5.930 2.560 9.693 1.00 44.25 C ATOM 2011 CD ARG B 48 6.492 1.157 9.996 1.00 3.14 C ATOM 2012 NE ARG B 48 7.953 1.118 9.809 1.00 62.10 N ATOM 2013 CZ ARG B 48 8.853 1.285 10.768 1.00 61.12 C ATOM 2014 NH1 ARG B 48 8.505 1.352 12.018 1.00 53.25 N ATOM 2015 NH2 ARG B 48 10.108 1.385 10.467 1.00 31.52 N ATOM 0 H ARG B 48 5.169 3.700 5.860 1.00 31.32 H new ATOM 0 HA ARG B 48 5.000 4.891 8.426 1.00 63.12 H new ATOM 0 HB2 ARG B 48 4.741 2.420 7.886 1.00 34.43 H new ATOM 0 HB3 ARG B 48 6.469 2.330 7.606 1.00 34.43 H new ATOM 0 HG2 ARG B 48 6.616 3.307 10.092 1.00 44.25 H new ATOM 0 HG3 ARG B 48 4.985 2.682 10.222 1.00 44.25 H new ATOM 0 HD2 ARG B 48 6.246 0.877 11.020 1.00 3.14 H new ATOM 0 HD3 ARG B 48 6.019 0.424 9.343 1.00 3.14 H new ATOM 0 HE ARG B 48 8.300 0.949 8.865 1.00 62.10 H new ATOM 0 HH11 ARG B 48 7.522 1.276 12.278 1.00 53.25 H new ATOM 0 HH12 ARG B 48 9.215 1.481 12.739 1.00 53.25 H new ATOM 0 HH21 ARG B 48 10.404 1.335 9.492 1.00 31.52 H new ATOM 0 HH22 ARG B 48 10.801 1.514 11.205 1.00 31.52 H new ATOM 2029 N GLU B 49 8.044 4.612 7.070 1.00 14.33 N ATOM 2030 CA GLU B 49 9.444 5.099 7.075 1.00 43.42 C ATOM 2031 C GLU B 49 9.517 6.637 6.863 1.00 31.33 C ATOM 2032 O GLU B 49 10.494 7.274 7.264 1.00 65.42 O ATOM 2033 CB GLU B 49 10.268 4.411 5.947 1.00 61.24 C ATOM 2034 CG GLU B 49 10.177 2.873 5.857 1.00 50.30 C ATOM 2035 CD GLU B 49 10.569 2.136 7.140 1.00 54.25 C ATOM 2036 OE1 GLU B 49 11.645 2.420 7.702 1.00 3.54 O ATOM 2037 OE2 GLU B 49 9.825 1.246 7.574 1.00 54.41 O ATOM 0 H GLU B 49 7.820 4.028 6.264 1.00 14.33 H new ATOM 0 HA GLU B 49 9.860 4.851 8.051 1.00 43.42 H new ATOM 0 HB2 GLU B 49 9.948 4.827 4.991 1.00 61.24 H new ATOM 0 HB3 GLU B 49 11.316 4.682 6.078 1.00 61.24 H new ATOM 0 HG2 GLU B 49 9.156 2.597 5.593 1.00 50.30 H new ATOM 0 HG3 GLU B 49 10.820 2.531 5.046 1.00 50.30 H new ATOM 2044 N ASN B 50 8.466 7.190 6.195 1.00 24.14 N ATOM 2045 CA ASN B 50 8.372 8.614 5.751 1.00 23.33 C ATOM 2046 C ASN B 50 9.415 8.944 4.637 1.00 12.51 C ATOM 2047 O ASN B 50 9.741 10.112 4.397 1.00 4.32 O ATOM 2048 CB ASN B 50 8.489 9.595 6.956 1.00 70.32 C ATOM 2049 CG ASN B 50 7.419 9.347 8.027 1.00 63.43 C ATOM 2050 OD1 ASN B 50 6.331 9.906 7.979 1.00 35.42 O ATOM 2051 ND2 ASN B 50 7.714 8.497 8.993 1.00 43.45 N ATOM 0 H ASN B 50 7.640 6.646 5.944 1.00 24.14 H new ATOM 0 HA ASN B 50 7.383 8.751 5.313 1.00 23.33 H new ATOM 0 HB2 ASN B 50 9.477 9.496 7.405 1.00 70.32 H new ATOM 0 HB3 ASN B 50 8.405 10.620 6.594 1.00 70.32 H new ATOM 0 HD21 ASN B 50 7.029 8.294 9.720 1.00 43.45 H new ATOM 0 HD22 ASN B 50 8.627 8.043 9.012 1.00 43.45 H new ATOM 2058 N LYS B 51 9.873 7.896 3.921 1.00 70.22 N ATOM 2059 CA LYS B 51 10.952 7.993 2.904 1.00 33.40 C ATOM 2060 C LYS B 51 10.431 8.160 1.446 1.00 32.34 C ATOM 2061 O LYS B 51 11.235 8.202 0.505 1.00 71.54 O ATOM 2062 CB LYS B 51 11.870 6.743 3.023 1.00 23.14 C ATOM 2063 CG LYS B 51 12.658 6.662 4.354 1.00 24.51 C ATOM 2064 CD LYS B 51 13.489 5.361 4.499 1.00 73.11 C ATOM 2065 CE LYS B 51 14.610 5.237 3.457 1.00 41.02 C ATOM 2066 NZ LYS B 51 15.598 6.343 3.566 1.00 35.40 N ATOM 0 H LYS B 51 9.505 6.951 4.030 1.00 70.22 H new ATOM 0 HA LYS B 51 11.514 8.903 3.113 1.00 33.40 H new ATOM 0 HB2 LYS B 51 11.260 5.846 2.919 1.00 23.14 H new ATOM 0 HB3 LYS B 51 12.577 6.745 2.194 1.00 23.14 H new ATOM 0 HG2 LYS B 51 13.326 7.521 4.425 1.00 24.51 H new ATOM 0 HG3 LYS B 51 11.958 6.732 5.187 1.00 24.51 H new ATOM 0 HD2 LYS B 51 13.925 5.326 5.497 1.00 73.11 H new ATOM 0 HD3 LYS B 51 12.824 4.502 4.411 1.00 73.11 H new ATOM 0 HE2 LYS B 51 15.120 4.282 3.585 1.00 41.02 H new ATOM 0 HE3 LYS B 51 14.177 5.236 2.457 1.00 41.02 H new ATOM 0 HZ1 LYS B 51 16.481 6.068 3.091 1.00 35.40 H new ATOM 0 HZ2 LYS B 51 15.214 7.197 3.115 1.00 35.40 H new ATOM 0 HZ3 LYS B 51 15.791 6.538 4.569 1.00 35.40 H new ATOM 2080 N VAL B 52 9.096 8.273 1.258 1.00 0.21 N ATOM 2081 CA VAL B 52 8.483 8.502 -0.087 1.00 4.41 C ATOM 2082 C VAL B 52 7.607 9.768 -0.125 1.00 35.32 C ATOM 2083 O VAL B 52 7.060 10.205 0.893 1.00 53.12 O ATOM 2084 CB VAL B 52 7.612 7.281 -0.583 1.00 32.10 C ATOM 2085 CG1 VAL B 52 8.501 6.075 -0.930 1.00 2.33 C ATOM 2086 CG2 VAL B 52 6.516 6.900 0.453 1.00 35.51 C ATOM 0 H VAL B 52 8.416 8.210 2.016 1.00 0.21 H new ATOM 0 HA VAL B 52 9.333 8.626 -0.758 1.00 4.41 H new ATOM 0 HB VAL B 52 7.099 7.590 -1.494 1.00 32.10 H new ATOM 0 HG11 VAL B 52 7.877 5.248 -1.269 1.00 2.33 H new ATOM 0 HG12 VAL B 52 9.197 6.352 -1.722 1.00 2.33 H new ATOM 0 HG13 VAL B 52 9.060 5.769 -0.046 1.00 2.33 H new ATOM 0 HG21 VAL B 52 5.937 6.056 0.077 1.00 35.51 H new ATOM 0 HG22 VAL B 52 6.987 6.625 1.397 1.00 35.51 H new ATOM 0 HG23 VAL B 52 5.854 7.751 0.613 1.00 35.51 H new ATOM 2096 N VAL B 53 7.492 10.341 -1.333 1.00 41.02 N ATOM 2097 CA VAL B 53 6.564 11.440 -1.650 1.00 0.42 C ATOM 2098 C VAL B 53 5.424 10.904 -2.546 1.00 32.12 C ATOM 2099 O VAL B 53 5.682 10.305 -3.594 1.00 41.55 O ATOM 2100 CB VAL B 53 7.316 12.609 -2.379 1.00 41.20 C ATOM 2101 CG1 VAL B 53 6.359 13.778 -2.758 1.00 62.23 C ATOM 2102 CG2 VAL B 53 8.509 13.098 -1.521 1.00 11.12 C ATOM 0 H VAL B 53 8.052 10.048 -2.133 1.00 41.02 H new ATOM 0 HA VAL B 53 6.148 11.830 -0.721 1.00 0.42 H new ATOM 0 HB VAL B 53 7.708 12.219 -3.319 1.00 41.20 H new ATOM 0 HG11 VAL B 53 6.925 14.563 -3.260 1.00 62.23 H new ATOM 0 HG12 VAL B 53 5.580 13.409 -3.425 1.00 62.23 H new ATOM 0 HG13 VAL B 53 5.902 14.181 -1.855 1.00 62.23 H new ATOM 0 HG21 VAL B 53 9.021 13.909 -2.039 1.00 11.12 H new ATOM 0 HG22 VAL B 53 8.143 13.456 -0.559 1.00 11.12 H new ATOM 0 HG23 VAL B 53 9.204 12.274 -1.361 1.00 11.12 H new ATOM 2112 N ILE B 54 4.167 11.120 -2.126 1.00 3.53 N ATOM 2113 CA ILE B 54 2.976 10.639 -2.859 1.00 1.23 C ATOM 2114 C ILE B 54 2.295 11.821 -3.590 1.00 12.12 C ATOM 2115 O ILE B 54 1.829 12.765 -2.945 1.00 45.32 O ATOM 2116 CB ILE B 54 1.935 9.959 -1.881 1.00 74.01 C ATOM 2117 CG1 ILE B 54 2.616 8.854 -0.997 1.00 1.21 C ATOM 2118 CG2 ILE B 54 0.717 9.381 -2.661 1.00 5.11 C ATOM 2119 CD1 ILE B 54 3.222 7.686 -1.761 1.00 71.43 C ATOM 0 H ILE B 54 3.944 11.631 -1.272 1.00 3.53 H new ATOM 0 HA ILE B 54 3.307 9.895 -3.583 1.00 1.23 H new ATOM 0 HB ILE B 54 1.562 10.735 -1.212 1.00 74.01 H new ATOM 0 HG12 ILE B 54 3.400 9.322 -0.401 1.00 1.21 H new ATOM 0 HG13 ILE B 54 1.875 8.464 -0.299 1.00 1.21 H new ATOM 0 HG21 ILE B 54 0.021 8.921 -1.960 1.00 5.11 H new ATOM 0 HG22 ILE B 54 0.213 10.185 -3.197 1.00 5.11 H new ATOM 0 HG23 ILE B 54 1.063 8.632 -3.373 1.00 5.11 H new ATOM 0 HD11 ILE B 54 3.665 6.982 -1.057 1.00 71.43 H new ATOM 0 HD12 ILE B 54 2.443 7.184 -2.335 1.00 71.43 H new ATOM 0 HD13 ILE B 54 3.992 8.055 -2.439 1.00 71.43 H new ATOM 2131 N GLU B 55 2.258 11.773 -4.933 1.00 5.04 N ATOM 2132 CA GLU B 55 1.500 12.738 -5.764 1.00 4.54 C ATOM 2133 C GLU B 55 0.405 12.004 -6.562 1.00 53.45 C ATOM 2134 O GLU B 55 0.688 11.062 -7.301 1.00 11.44 O ATOM 2135 CB GLU B 55 2.439 13.510 -6.729 1.00 22.32 C ATOM 2136 CG GLU B 55 3.351 14.562 -6.050 1.00 31.20 C ATOM 2137 CD GLU B 55 4.259 15.325 -7.040 1.00 64.24 C ATOM 2138 OE1 GLU B 55 3.817 15.594 -8.186 1.00 61.22 O ATOM 2139 OE2 GLU B 55 5.408 15.664 -6.682 1.00 33.53 O ATOM 0 H GLU B 55 2.751 11.066 -5.478 1.00 5.04 H new ATOM 0 HA GLU B 55 1.033 13.463 -5.098 1.00 4.54 H new ATOM 0 HB2 GLU B 55 3.067 12.791 -7.254 1.00 22.32 H new ATOM 0 HB3 GLU B 55 1.830 14.010 -7.482 1.00 22.32 H new ATOM 0 HG2 GLU B 55 2.728 15.279 -5.515 1.00 31.20 H new ATOM 0 HG3 GLU B 55 3.975 14.065 -5.307 1.00 31.20 H new ATOM 2146 N ARG B 56 -0.852 12.439 -6.389 1.00 5.22 N ATOM 2147 CA ARG B 56 -2.003 11.887 -7.126 1.00 34.23 C ATOM 2148 C ARG B 56 -2.270 12.733 -8.390 1.00 22.13 C ATOM 2149 O ARG B 56 -2.905 13.790 -8.327 1.00 64.31 O ATOM 2150 CB ARG B 56 -3.237 11.828 -6.187 1.00 23.21 C ATOM 2151 CG ARG B 56 -3.045 10.866 -4.990 1.00 25.31 C ATOM 2152 CD ARG B 56 -4.224 10.871 -4.005 1.00 74.01 C ATOM 2153 NE ARG B 56 -4.086 9.796 -2.998 1.00 51.10 N ATOM 2154 CZ ARG B 56 -4.737 8.650 -3.020 1.00 51.13 C ATOM 2155 NH1 ARG B 56 -5.681 8.431 -3.885 1.00 4.52 N ATOM 2156 NH2 ARG B 56 -4.449 7.726 -2.163 1.00 74.35 N ATOM 0 H ARG B 56 -1.101 13.182 -5.736 1.00 5.22 H new ATOM 0 HA ARG B 56 -1.788 10.871 -7.455 1.00 34.23 H new ATOM 0 HB2 ARG B 56 -3.447 12.829 -5.811 1.00 23.21 H new ATOM 0 HB3 ARG B 56 -4.108 11.514 -6.762 1.00 23.21 H new ATOM 0 HG2 ARG B 56 -2.901 9.854 -5.367 1.00 25.31 H new ATOM 0 HG3 ARG B 56 -2.135 11.140 -4.456 1.00 25.31 H new ATOM 0 HD2 ARG B 56 -4.278 11.837 -3.504 1.00 74.01 H new ATOM 0 HD3 ARG B 56 -5.158 10.743 -4.552 1.00 74.01 H new ATOM 0 HE ARG B 56 -3.437 9.954 -2.227 1.00 51.10 H new ATOM 0 HH11 ARG B 56 -5.929 9.152 -4.562 1.00 4.52 H new ATOM 0 HH12 ARG B 56 -6.174 7.538 -3.887 1.00 4.52 H new ATOM 0 HH21 ARG B 56 -3.718 7.884 -1.469 1.00 74.35 H new ATOM 0 HH22 ARG B 56 -4.953 6.839 -2.180 1.00 74.35 H new ATOM 2170 N LYS B 57 -1.747 12.258 -9.532 1.00 52.12 N ATOM 2171 CA LYS B 57 -1.816 12.961 -10.827 1.00 74.54 C ATOM 2172 C LYS B 57 -2.860 12.287 -11.743 1.00 31.02 C ATOM 2173 O LYS B 57 -2.679 11.136 -12.163 1.00 34.33 O ATOM 2174 CB LYS B 57 -0.413 12.966 -11.490 1.00 53.40 C ATOM 2175 CG LYS B 57 0.629 13.856 -10.773 1.00 1.05 C ATOM 2176 CD LYS B 57 2.083 13.708 -11.313 1.00 70.54 C ATOM 2177 CE LYS B 57 2.233 13.895 -12.846 1.00 35.12 C ATOM 2178 NZ LYS B 57 1.923 12.654 -13.619 1.00 5.55 N ATOM 0 H LYS B 57 -1.258 11.364 -9.584 1.00 52.12 H new ATOM 0 HA LYS B 57 -2.127 13.993 -10.665 1.00 74.54 H new ATOM 0 HB2 LYS B 57 -0.037 11.943 -11.525 1.00 53.40 H new ATOM 0 HB3 LYS B 57 -0.513 13.304 -12.521 1.00 53.40 H new ATOM 0 HG2 LYS B 57 0.324 14.898 -10.866 1.00 1.05 H new ATOM 0 HG3 LYS B 57 0.623 13.616 -9.710 1.00 1.05 H new ATOM 0 HD2 LYS B 57 2.718 14.437 -10.809 1.00 70.54 H new ATOM 0 HD3 LYS B 57 2.456 12.720 -11.044 1.00 70.54 H new ATOM 0 HE2 LYS B 57 1.571 14.696 -13.175 1.00 35.12 H new ATOM 0 HE3 LYS B 57 3.252 14.211 -13.070 1.00 35.12 H new ATOM 0 HZ1 LYS B 57 2.498 12.632 -14.486 1.00 5.55 H new ATOM 0 HZ2 LYS B 57 2.141 11.819 -13.038 1.00 5.55 H new ATOM 0 HZ3 LYS B 57 0.914 12.646 -13.872 1.00 5.55 H new ATOM 2192 N ASN B 58 -3.955 13.035 -12.022 1.00 22.45 N ATOM 2193 CA ASN B 58 -5.128 12.590 -12.828 1.00 21.45 C ATOM 2194 C ASN B 58 -5.830 11.351 -12.191 1.00 23.12 C ATOM 2195 O ASN B 58 -6.492 10.563 -12.883 1.00 14.24 O ATOM 2196 CB ASN B 58 -4.701 12.299 -14.302 1.00 44.55 C ATOM 2197 CG ASN B 58 -3.929 13.453 -14.955 1.00 11.24 C ATOM 2198 OD1 ASN B 58 -4.151 14.624 -14.655 1.00 24.13 O ATOM 2199 ND2 ASN B 58 -3.000 13.129 -15.831 1.00 40.24 N ATOM 0 H ASN B 58 -4.054 13.993 -11.685 1.00 22.45 H new ATOM 0 HA ASN B 58 -5.855 13.402 -12.834 1.00 21.45 H new ATOM 0 HB2 ASN B 58 -4.083 11.401 -14.322 1.00 44.55 H new ATOM 0 HB3 ASN B 58 -5.591 12.087 -14.894 1.00 44.55 H new ATOM 0 HD21 ASN B 58 -2.444 13.858 -16.278 1.00 40.24 H new ATOM 0 HD22 ASN B 58 -2.836 12.149 -16.062 1.00 40.24 H new ATOM 2206 N GLY B 59 -5.737 11.241 -10.849 1.00 51.33 N ATOM 2207 CA GLY B 59 -6.293 10.096 -10.107 1.00 73.32 C ATOM 2208 C GLY B 59 -5.348 8.885 -9.995 1.00 5.00 C ATOM 2209 O GLY B 59 -5.711 7.884 -9.375 1.00 13.41 O ATOM 0 H GLY B 59 -5.280 11.935 -10.258 1.00 51.33 H new ATOM 0 HA2 GLY B 59 -6.560 10.426 -9.103 1.00 73.32 H new ATOM 0 HA3 GLY B 59 -7.215 9.777 -10.594 1.00 73.32 H new ATOM 2213 N LEU B 60 -4.148 8.958 -10.610 1.00 0.21 N ATOM 2214 CA LEU B 60 -3.132 7.869 -10.551 1.00 0.43 C ATOM 2215 C LEU B 60 -2.046 8.158 -9.484 1.00 33.04 C ATOM 2216 O LEU B 60 -1.713 9.317 -9.221 1.00 51.22 O ATOM 2217 CB LEU B 60 -2.469 7.640 -11.950 1.00 4.12 C ATOM 2218 CG LEU B 60 -3.402 7.102 -13.098 1.00 2.14 C ATOM 2219 CD1 LEU B 60 -4.275 5.922 -12.616 1.00 23.43 C ATOM 2220 CD2 LEU B 60 -4.259 8.223 -13.731 1.00 2.44 C ATOM 0 H LEU B 60 -3.851 9.765 -11.159 1.00 0.21 H new ATOM 0 HA LEU B 60 -3.655 6.958 -10.261 1.00 0.43 H new ATOM 0 HB2 LEU B 60 -2.035 8.584 -12.279 1.00 4.12 H new ATOM 0 HB3 LEU B 60 -1.645 6.938 -11.825 1.00 4.12 H new ATOM 0 HG LEU B 60 -2.747 6.725 -13.884 1.00 2.14 H new ATOM 0 HD11 LEU B 60 -4.906 5.577 -13.436 1.00 23.43 H new ATOM 0 HD12 LEU B 60 -3.633 5.106 -12.284 1.00 23.43 H new ATOM 0 HD13 LEU B 60 -4.903 6.249 -11.787 1.00 23.43 H new ATOM 0 HD21 LEU B 60 -4.885 7.802 -14.517 1.00 2.44 H new ATOM 0 HD22 LEU B 60 -4.891 8.674 -12.966 1.00 2.44 H new ATOM 0 HD23 LEU B 60 -3.605 8.984 -14.156 1.00 2.44 H new ATOM 2232 N ILE B 61 -1.491 7.082 -8.888 1.00 11.14 N ATOM 2233 CA ILE B 61 -0.468 7.184 -7.817 1.00 63.12 C ATOM 2234 C ILE B 61 0.960 7.281 -8.423 1.00 63.54 C ATOM 2235 O ILE B 61 1.413 6.362 -9.110 1.00 35.32 O ATOM 2236 CB ILE B 61 -0.522 5.952 -6.834 1.00 3.43 C ATOM 2237 CG1 ILE B 61 -1.984 5.653 -6.356 1.00 40.42 C ATOM 2238 CG2 ILE B 61 0.420 6.178 -5.617 1.00 70.15 C ATOM 2239 CD1 ILE B 61 -2.615 6.714 -5.470 1.00 3.13 C ATOM 0 H ILE B 61 -1.735 6.122 -9.131 1.00 11.14 H new ATOM 0 HA ILE B 61 -0.693 8.091 -7.255 1.00 63.12 H new ATOM 0 HB ILE B 61 -0.174 5.078 -7.385 1.00 3.43 H new ATOM 0 HG12 ILE B 61 -2.614 5.518 -7.235 1.00 40.42 H new ATOM 0 HG13 ILE B 61 -1.984 4.707 -5.815 1.00 40.42 H new ATOM 0 HG21 ILE B 61 0.368 5.316 -4.951 1.00 70.15 H new ATOM 0 HG22 ILE B 61 1.444 6.304 -5.968 1.00 70.15 H new ATOM 0 HG23 ILE B 61 0.109 7.073 -5.077 1.00 70.15 H new ATOM 0 HD11 ILE B 61 -3.625 6.407 -5.197 1.00 3.13 H new ATOM 0 HD12 ILE B 61 -2.017 6.837 -4.567 1.00 3.13 H new ATOM 0 HD13 ILE B 61 -2.657 7.660 -6.009 1.00 3.13 H new ATOM 2251 N GLU B 62 1.659 8.395 -8.142 1.00 44.21 N ATOM 2252 CA GLU B 62 3.039 8.660 -8.622 1.00 4.05 C ATOM 2253 C GLU B 62 4.000 8.743 -7.407 1.00 75.10 C ATOM 2254 O GLU B 62 3.799 9.575 -6.510 1.00 64.10 O ATOM 2255 CB GLU B 62 3.049 10.000 -9.412 1.00 51.11 C ATOM 2256 CG GLU B 62 2.034 10.076 -10.580 1.00 12.15 C ATOM 2257 CD GLU B 62 2.494 9.370 -11.867 1.00 24.45 C ATOM 2258 OE1 GLU B 62 3.186 10.018 -12.689 1.00 55.41 O ATOM 2259 OE2 GLU B 62 2.167 8.183 -12.072 1.00 51.23 O ATOM 0 H GLU B 62 1.282 9.150 -7.569 1.00 44.21 H new ATOM 0 HA GLU B 62 3.371 7.854 -9.277 1.00 4.05 H new ATOM 0 HB2 GLU B 62 2.844 10.815 -8.718 1.00 51.11 H new ATOM 0 HB3 GLU B 62 4.051 10.163 -9.809 1.00 51.11 H new ATOM 0 HG2 GLU B 62 1.091 9.636 -10.255 1.00 12.15 H new ATOM 0 HG3 GLU B 62 1.836 11.124 -10.806 1.00 12.15 H new ATOM 2266 N ILE B 63 5.036 7.880 -7.375 1.00 0.52 N ATOM 2267 CA ILE B 63 5.976 7.776 -6.223 1.00 72.41 C ATOM 2268 C ILE B 63 7.306 8.532 -6.523 1.00 31.35 C ATOM 2269 O ILE B 63 7.985 8.241 -7.513 1.00 32.21 O ATOM 2270 CB ILE B 63 6.292 6.262 -5.868 1.00 60.11 C ATOM 2271 CG1 ILE B 63 4.987 5.392 -5.852 1.00 74.44 C ATOM 2272 CG2 ILE B 63 7.043 6.145 -4.512 1.00 1.44 C ATOM 2273 CD1 ILE B 63 3.965 5.777 -4.797 1.00 65.34 C ATOM 0 H ILE B 63 5.250 7.237 -8.137 1.00 0.52 H new ATOM 0 HA ILE B 63 5.488 8.238 -5.365 1.00 72.41 H new ATOM 0 HB ILE B 63 6.944 5.876 -6.652 1.00 60.11 H new ATOM 0 HG12 ILE B 63 4.515 5.456 -6.832 1.00 74.44 H new ATOM 0 HG13 ILE B 63 5.267 4.349 -5.700 1.00 74.44 H new ATOM 0 HG21 ILE B 63 7.245 5.096 -4.297 1.00 1.44 H new ATOM 0 HG22 ILE B 63 7.984 6.691 -4.569 1.00 1.44 H new ATOM 0 HG23 ILE B 63 6.427 6.566 -3.717 1.00 1.44 H new ATOM 0 HD11 ILE B 63 3.101 5.116 -4.869 1.00 65.34 H new ATOM 0 HD12 ILE B 63 4.411 5.684 -3.807 1.00 65.34 H new ATOM 0 HD13 ILE B 63 3.648 6.808 -4.957 1.00 65.34 H new ATOM 2285 N TYR B 64 7.656 9.510 -5.661 1.00 20.05 N ATOM 2286 CA TYR B 64 8.895 10.333 -5.787 1.00 60.53 C ATOM 2287 C TYR B 64 9.846 10.099 -4.593 1.00 61.23 C ATOM 2288 O TYR B 64 9.465 9.496 -3.580 1.00 34.43 O ATOM 2289 CB TYR B 64 8.552 11.848 -5.861 1.00 22.03 C ATOM 2290 CG TYR B 64 7.680 12.266 -7.050 1.00 34.40 C ATOM 2291 CD1 TYR B 64 6.329 11.918 -7.106 1.00 42.34 C ATOM 2292 CD2 TYR B 64 8.198 13.019 -8.110 1.00 42.31 C ATOM 2293 CE1 TYR B 64 5.538 12.299 -8.161 1.00 11.23 C ATOM 2294 CE2 TYR B 64 7.397 13.411 -9.166 1.00 64.12 C ATOM 2295 CZ TYR B 64 6.070 13.044 -9.184 1.00 3.34 C ATOM 2296 OH TYR B 64 5.254 13.451 -10.209 1.00 4.41 O ATOM 0 H TYR B 64 7.089 9.758 -4.851 1.00 20.05 H new ATOM 0 HA TYR B 64 9.389 10.024 -6.708 1.00 60.53 H new ATOM 0 HB2 TYR B 64 8.043 12.134 -4.940 1.00 22.03 H new ATOM 0 HB3 TYR B 64 9.483 12.413 -5.899 1.00 22.03 H new ATOM 0 HD1 TYR B 64 5.898 11.338 -6.304 1.00 42.34 H new ATOM 0 HD2 TYR B 64 9.241 13.298 -8.103 1.00 42.31 H new ATOM 0 HE1 TYR B 64 4.497 12.013 -8.186 1.00 11.23 H new ATOM 0 HE2 TYR B 64 7.809 14.001 -9.971 1.00 64.12 H new ATOM 0 HH TYR B 64 5.776 13.970 -10.856 1.00 4.41 H new ATOM 2306 N ASN B 65 11.082 10.616 -4.723 1.00 44.43 N ATOM 2307 CA ASN B 65 12.117 10.534 -3.667 1.00 64.20 C ATOM 2308 C ASN B 65 11.858 11.567 -2.549 1.00 72.23 C ATOM 2309 O ASN B 65 11.477 12.707 -2.831 1.00 42.41 O ATOM 2310 CB ASN B 65 13.530 10.790 -4.261 1.00 73.34 C ATOM 2311 CG ASN B 65 13.931 9.828 -5.374 1.00 35.03 C ATOM 2312 OD1 ASN B 65 13.102 9.323 -6.106 1.00 14.24 O ATOM 2313 ND2 ASN B 65 15.212 9.575 -5.519 1.00 33.24 N ATOM 0 H ASN B 65 11.395 11.103 -5.563 1.00 44.43 H new ATOM 0 HA ASN B 65 12.069 9.529 -3.247 1.00 64.20 H new ATOM 0 HB2 ASN B 65 13.569 11.809 -4.647 1.00 73.34 H new ATOM 0 HB3 ASN B 65 14.265 10.724 -3.459 1.00 73.34 H new ATOM 0 HD21 ASN B 65 15.527 8.945 -6.256 1.00 33.24 H new ATOM 0 HD22 ASN B 65 15.891 10.009 -4.894 1.00 33.24 H new ATOM 2320 N GLU B 66 12.109 11.150 -1.295 1.00 65.31 N ATOM 2321 CA GLU B 66 12.074 12.019 -0.084 1.00 41.34 C ATOM 2322 C GLU B 66 12.890 13.343 -0.222 1.00 31.10 C ATOM 2323 O GLU B 66 12.596 14.329 0.465 1.00 61.40 O ATOM 2324 CB GLU B 66 12.628 11.214 1.117 1.00 4.42 C ATOM 2325 CG GLU B 66 14.043 10.635 0.881 1.00 12.22 C ATOM 2326 CD GLU B 66 14.640 9.970 2.125 1.00 4.21 C ATOM 2327 OE1 GLU B 66 15.256 10.680 2.949 1.00 1.41 O ATOM 2328 OE2 GLU B 66 14.495 8.746 2.285 1.00 3.12 O ATOM 0 H GLU B 66 12.348 10.182 -1.081 1.00 65.31 H new ATOM 0 HA GLU B 66 11.034 12.312 0.060 1.00 41.34 H new ATOM 0 HB2 GLU B 66 12.651 11.859 1.995 1.00 4.42 H new ATOM 0 HB3 GLU B 66 11.943 10.396 1.341 1.00 4.42 H new ATOM 0 HG2 GLU B 66 13.999 9.905 0.073 1.00 12.22 H new ATOM 0 HG3 GLU B 66 14.706 11.436 0.552 1.00 12.22 H new