USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 917 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 35 GLN :FLIP amide:sc= 1.13 F(o=-1.3,f=0.8) USER MOD Set 1.2: A 50 CYS SG : rot 91:sc= -0.33 USER MOD Set 2.1: A 17 GLN : amide:sc= -0.656 K(o=-0.66,f=-2) USER MOD Set 2.2: A 22 LYS NZ :NH3+ 160:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.00216 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= -0.0139 (180deg=-0.234) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -116:sc= 0.325 (180deg=-0.283) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.379 K(o=-0.38,f=-2.5!) USER MOD Single : A 25 GLN : amide:sc= -0.38 K(o=-0.38,f=-2.1) USER MOD Single : A 26 GLN : amide:sc= -1.9 K(o=-1.9,f=-3.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.741 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -39:sc= 0.837 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.017) USER MOD Single : A 51 MET CE :methyl -177:sc= -2.36! (180deg=-2.62!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 108:sc= -1.2! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -160:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.7! C(o=-2.7!,f=-4.4!) USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= 0.503 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0448 K(o=-0.045,f=-1.7!) USER MOD Single : A 83 ASN : amide:sc=-0.00668 X(o=-0.0067,f=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 89 SER OG : rot -159:sc= 0.0284 USER MOD Single : A 90 TYR OH : rot -132:sc= 0.551 USER MOD Single : A 93 MET CE :methyl -168:sc= -9.08! (180deg=-9.45!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 100 MET CE :methyl 133:sc= -0.414 (180deg=-1.8!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -150:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.114 24.717 5.926 1.00 0.00 N ATOM 2 CA GLY A 1 -11.128 24.112 6.805 1.00 0.00 C ATOM 3 C GLY A 1 -11.688 22.856 7.476 1.00 0.00 C ATOM 4 O GLY A 1 -12.298 22.016 6.817 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.645 25.066 5.066 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.829 24.008 5.666 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.575 25.510 6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.235 23.856 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.825 24.831 7.566 1.00 0.00 H new ATOM 8 N SER A 2 -11.460 22.768 8.778 1.00 0.00 N ATOM 9 CA SER A 2 -11.934 21.629 9.545 1.00 0.00 C ATOM 10 C SER A 2 -11.287 20.343 9.027 1.00 0.00 C ATOM 11 O SER A 2 -10.955 20.244 7.847 1.00 0.00 O ATOM 12 CB SER A 2 -13.459 21.519 9.483 1.00 0.00 C ATOM 13 OG SER A 2 -14.099 22.519 10.270 1.00 0.00 O ATOM 0 H SER A 2 -10.953 23.467 9.321 1.00 0.00 H new ATOM 0 HA SER A 2 -11.650 21.776 10.587 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.787 21.608 8.447 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.766 20.533 9.831 1.00 0.00 H new ATOM 0 HG SER A 2 -15.071 22.416 10.203 1.00 0.00 H new ATOM 19 N SER A 3 -11.128 19.391 9.935 1.00 0.00 N ATOM 20 CA SER A 3 -10.527 18.116 9.584 1.00 0.00 C ATOM 21 C SER A 3 -11.330 16.971 10.203 1.00 0.00 C ATOM 22 O SER A 3 -11.753 16.054 9.501 1.00 0.00 O ATOM 23 CB SER A 3 -9.068 18.050 10.042 1.00 0.00 C ATOM 24 OG SER A 3 -8.343 17.025 9.368 1.00 0.00 O ATOM 0 H SER A 3 -11.405 19.477 10.913 1.00 0.00 H new ATOM 0 HA SER A 3 -10.544 18.017 8.499 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.588 19.012 9.862 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.033 17.872 11.117 1.00 0.00 H new ATOM 0 HG SER A 3 -7.416 17.016 9.687 1.00 0.00 H new ATOM 30 N GLY A 4 -11.516 17.061 11.512 1.00 0.00 N ATOM 31 CA GLY A 4 -12.262 16.043 12.233 1.00 0.00 C ATOM 32 C GLY A 4 -11.318 15.106 12.989 1.00 0.00 C ATOM 33 O GLY A 4 -11.060 13.988 12.544 1.00 0.00 O ATOM 0 H GLY A 4 -11.163 17.823 12.092 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.948 16.518 12.934 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.869 15.468 11.534 1.00 0.00 H new ATOM 37 N SER A 5 -10.829 15.595 14.119 1.00 0.00 N ATOM 38 CA SER A 5 -9.920 14.814 14.941 1.00 0.00 C ATOM 39 C SER A 5 -8.556 14.707 14.256 1.00 0.00 C ATOM 40 O SER A 5 -8.305 13.762 13.510 1.00 0.00 O ATOM 41 CB SER A 5 -10.486 13.420 15.217 1.00 0.00 C ATOM 42 OG SER A 5 -9.876 12.811 16.352 1.00 0.00 O ATOM 0 H SER A 5 -11.045 16.522 14.485 1.00 0.00 H new ATOM 0 HA SER A 5 -9.801 15.324 15.897 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.562 13.491 15.378 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.336 12.788 14.342 1.00 0.00 H new ATOM 0 HG SER A 5 -10.266 11.923 16.496 1.00 0.00 H new ATOM 48 N SER A 6 -7.712 15.690 14.534 1.00 0.00 N ATOM 49 CA SER A 6 -6.380 15.718 13.953 1.00 0.00 C ATOM 50 C SER A 6 -5.695 14.364 14.150 1.00 0.00 C ATOM 51 O SER A 6 -5.566 13.887 15.276 1.00 0.00 O ATOM 52 CB SER A 6 -5.534 16.835 14.569 1.00 0.00 C ATOM 53 OG SER A 6 -4.310 17.027 13.866 1.00 0.00 O ATOM 0 H SER A 6 -7.924 16.472 15.153 1.00 0.00 H new ATOM 0 HA SER A 6 -6.476 15.918 12.886 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.103 17.764 14.566 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.320 16.595 15.611 1.00 0.00 H new ATOM 0 HG SER A 6 -3.800 17.749 14.289 1.00 0.00 H new ATOM 59 N GLY A 7 -5.273 13.783 13.036 1.00 0.00 N ATOM 60 CA GLY A 7 -4.604 12.494 13.072 1.00 0.00 C ATOM 61 C GLY A 7 -4.879 11.699 11.794 1.00 0.00 C ATOM 62 O GLY A 7 -5.449 12.226 10.840 1.00 0.00 O ATOM 0 H GLY A 7 -5.382 14.181 12.103 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.530 12.640 13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.945 11.927 13.938 1.00 0.00 H new ATOM 66 N PRO A 8 -4.449 10.408 11.816 1.00 0.00 N ATOM 67 CA PRO A 8 -4.642 9.535 10.671 1.00 0.00 C ATOM 68 C PRO A 8 -6.100 9.084 10.566 1.00 0.00 C ATOM 69 O PRO A 8 -6.928 9.448 11.400 1.00 0.00 O ATOM 70 CB PRO A 8 -3.678 8.381 10.889 1.00 0.00 C ATOM 71 CG PRO A 8 -3.318 8.412 12.366 1.00 0.00 C ATOM 72 CD PRO A 8 -3.769 9.750 12.928 1.00 0.00 C ATOM 0 HA PRO A 8 -4.438 10.033 9.723 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.139 7.431 10.619 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.789 8.492 10.268 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.805 7.592 12.895 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.244 8.284 12.500 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.438 9.617 13.778 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.921 10.339 13.278 1.00 0.00 H new ATOM 80 N ILE A 9 -6.370 8.296 9.535 1.00 0.00 N ATOM 81 CA ILE A 9 -7.714 7.791 9.311 1.00 0.00 C ATOM 82 C ILE A 9 -7.709 6.267 9.439 1.00 0.00 C ATOM 83 O ILE A 9 -8.373 5.711 10.313 1.00 0.00 O ATOM 84 CB ILE A 9 -8.259 8.295 7.972 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.523 9.801 8.019 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.502 7.507 7.556 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.301 10.440 6.647 1.00 0.00 C ATOM 0 H ILE A 9 -5.681 7.995 8.846 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.397 8.172 10.070 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.500 8.126 7.208 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.546 9.984 8.348 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.864 10.267 8.752 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.870 7.884 6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.247 6.452 7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.276 7.622 8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.495 11.511 6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.271 10.276 6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.979 9.989 5.922 1.00 0.00 H new ATOM 99 N LYS A 10 -6.953 5.633 8.554 1.00 0.00 N ATOM 100 CA LYS A 10 -6.853 4.183 8.557 1.00 0.00 C ATOM 101 C LYS A 10 -5.378 3.778 8.562 1.00 0.00 C ATOM 102 O LYS A 10 -4.594 4.264 7.748 1.00 0.00 O ATOM 103 CB LYS A 10 -7.650 3.589 7.394 1.00 0.00 C ATOM 104 CG LYS A 10 -8.122 2.171 7.721 1.00 0.00 C ATOM 105 CD LYS A 10 -7.037 1.143 7.397 1.00 0.00 C ATOM 106 CE LYS A 10 -7.541 -0.281 7.637 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.886 -0.475 9.063 1.00 0.00 N ATOM 0 H LYS A 10 -6.404 6.097 7.830 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.300 3.772 9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.511 4.222 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.032 3.573 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.386 2.106 8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.024 1.944 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.726 1.252 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.158 1.330 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.416 -0.473 7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.776 -0.999 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.013 -1.489 9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.119 -0.104 9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.768 0.031 9.279 1.00 0.00 H new ATOM 121 N MET A 11 -5.043 2.893 9.489 1.00 0.00 N ATOM 122 CA MET A 11 -3.676 2.417 9.611 1.00 0.00 C ATOM 123 C MET A 11 -3.629 0.888 9.656 1.00 0.00 C ATOM 124 O MET A 11 -4.600 0.245 10.053 1.00 0.00 O ATOM 125 CB MET A 11 -3.049 2.985 10.885 1.00 0.00 C ATOM 126 CG MET A 11 -3.279 4.494 10.984 1.00 0.00 C ATOM 127 SD MET A 11 -3.857 4.918 12.619 1.00 0.00 S ATOM 128 CE MET A 11 -5.618 4.763 12.376 1.00 0.00 C ATOM 0 H MET A 11 -5.695 2.493 10.163 1.00 0.00 H new ATOM 0 HA MET A 11 -3.115 2.753 8.739 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.477 2.490 11.757 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.979 2.775 10.893 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.353 5.026 10.767 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.009 4.809 10.238 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.136 4.995 13.307 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.940 5.456 11.599 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.855 3.743 12.074 1.00 0.00 H new ATOM 138 N GLY A 12 -2.491 0.350 9.244 1.00 0.00 N ATOM 139 CA GLY A 12 -2.305 -1.091 9.233 1.00 0.00 C ATOM 140 C GLY A 12 -1.002 -1.470 8.526 1.00 0.00 C ATOM 141 O GLY A 12 -0.446 -0.673 7.772 1.00 0.00 O ATOM 0 H GLY A 12 -1.688 0.886 8.915 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.291 -1.467 10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.147 -1.566 8.730 1.00 0.00 H new ATOM 145 N TRP A 13 -0.553 -2.688 8.794 1.00 0.00 N ATOM 146 CA TRP A 13 0.674 -3.182 8.193 1.00 0.00 C ATOM 147 C TRP A 13 0.306 -3.905 6.895 1.00 0.00 C ATOM 148 O TRP A 13 -0.331 -4.957 6.925 1.00 0.00 O ATOM 149 CB TRP A 13 1.446 -4.068 9.173 1.00 0.00 C ATOM 150 CG TRP A 13 2.306 -3.290 10.170 1.00 0.00 C ATOM 151 CD1 TRP A 13 1.906 -2.391 11.080 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.739 -3.378 10.322 1.00 0.00 C ATOM 153 NE1 TRP A 13 2.971 -1.896 11.805 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.121 -2.515 11.329 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.680 -4.162 9.632 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.450 -2.353 11.737 1.00 0.00 C ATOM 157 CZ3 TRP A 13 6.005 -3.988 10.051 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.406 -3.123 11.063 1.00 0.00 C ATOM 0 H TRP A 13 -1.017 -3.347 9.419 1.00 0.00 H new ATOM 0 HA TRP A 13 1.346 -2.358 7.954 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.737 -4.685 9.725 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.086 -4.745 8.608 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.879 -2.091 11.227 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.923 -1.204 12.552 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.403 -4.844 8.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.723 -1.671 12.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.769 -4.566 9.553 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.450 -3.045 11.328 1.00 0.00 H new ATOM 169 N LEU A 14 0.725 -3.313 5.787 1.00 0.00 N ATOM 170 CA LEU A 14 0.448 -3.887 4.481 1.00 0.00 C ATOM 171 C LEU A 14 1.753 -4.392 3.863 1.00 0.00 C ATOM 172 O LEU A 14 2.834 -3.926 4.220 1.00 0.00 O ATOM 173 CB LEU A 14 -0.300 -2.883 3.602 1.00 0.00 C ATOM 174 CG LEU A 14 -1.815 -2.811 3.805 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.389 -1.528 3.201 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.502 -4.062 3.254 1.00 0.00 C ATOM 0 H LEU A 14 1.254 -2.441 5.766 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.214 -4.748 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.118 -1.892 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.105 -3.128 2.558 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.015 -2.780 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.467 -1.502 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.931 -0.663 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.178 -1.503 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.578 -3.985 3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.296 -4.150 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.122 -4.943 3.771 1.00 0.00 H new ATOM 188 N LYS A 15 1.610 -5.338 2.947 1.00 0.00 N ATOM 189 CA LYS A 15 2.764 -5.912 2.277 1.00 0.00 C ATOM 190 C LYS A 15 2.962 -5.218 0.928 1.00 0.00 C ATOM 191 O LYS A 15 2.184 -5.426 -0.002 1.00 0.00 O ATOM 192 CB LYS A 15 2.623 -7.432 2.171 1.00 0.00 C ATOM 193 CG LYS A 15 3.592 -8.140 3.120 1.00 0.00 C ATOM 194 CD LYS A 15 3.647 -9.641 2.828 1.00 0.00 C ATOM 195 CE LYS A 15 3.091 -10.449 4.002 1.00 0.00 C ATOM 196 NZ LYS A 15 3.748 -11.772 4.078 1.00 0.00 N ATOM 0 H LYS A 15 0.712 -5.722 2.653 1.00 0.00 H new ATOM 0 HA LYS A 15 3.668 -5.739 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.599 -7.723 2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.816 -7.748 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.588 -7.709 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.280 -7.978 4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.074 -9.861 1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.677 -9.939 2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.248 -9.904 4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.015 -10.577 3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.359 -12.307 4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.576 -12.296 3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.772 -11.644 4.211 1.00 0.00 H new ATOM 210 N LYS A 16 4.007 -4.406 0.864 1.00 0.00 N ATOM 211 CA LYS A 16 4.317 -3.680 -0.356 1.00 0.00 C ATOM 212 C LYS A 16 5.443 -4.400 -1.101 1.00 0.00 C ATOM 213 O LYS A 16 6.488 -4.692 -0.522 1.00 0.00 O ATOM 214 CB LYS A 16 4.626 -2.214 -0.043 1.00 0.00 C ATOM 215 CG LYS A 16 5.096 -1.473 -1.297 1.00 0.00 C ATOM 216 CD LYS A 16 5.184 0.033 -1.043 1.00 0.00 C ATOM 217 CE LYS A 16 6.035 0.720 -2.113 1.00 0.00 C ATOM 218 NZ LYS A 16 5.653 0.247 -3.462 1.00 0.00 N ATOM 0 H LYS A 16 4.650 -4.235 1.637 1.00 0.00 H new ATOM 0 HA LYS A 16 3.453 -3.665 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.736 -1.729 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.395 -2.157 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.071 -1.851 -1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.406 -1.667 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.183 0.464 -1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.615 0.215 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.906 1.801 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.090 0.514 -1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.455 -0.254 -3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.842 -0.399 -3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.393 1.061 -4.055 1.00 0.00 H new ATOM 232 N GLN A 17 5.192 -4.665 -2.375 1.00 0.00 N ATOM 233 CA GLN A 17 6.171 -5.345 -3.205 1.00 0.00 C ATOM 234 C GLN A 17 7.406 -4.463 -3.400 1.00 0.00 C ATOM 235 O GLN A 17 7.296 -3.240 -3.465 1.00 0.00 O ATOM 236 CB GLN A 17 5.565 -5.745 -4.552 1.00 0.00 C ATOM 237 CG GLN A 17 6.394 -6.843 -5.222 1.00 0.00 C ATOM 238 CD GLN A 17 5.634 -8.171 -5.238 1.00 0.00 C ATOM 239 OE1 GLN A 17 5.903 -9.079 -4.469 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.672 -8.232 -6.154 1.00 0.00 N ATOM 0 H GLN A 17 4.324 -4.421 -2.852 1.00 0.00 H new ATOM 0 HA GLN A 17 6.478 -6.259 -2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.543 -6.094 -4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.514 -4.874 -5.205 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.639 -6.548 -6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.338 -6.966 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.500 -7.435 -6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.107 -9.076 -6.244 1.00 0.00 H new ATOM 249 N ARG A 18 8.554 -5.119 -3.487 1.00 0.00 N ATOM 250 CA ARG A 18 9.809 -4.409 -3.673 1.00 0.00 C ATOM 251 C ARG A 18 10.034 -4.110 -5.156 1.00 0.00 C ATOM 252 O ARG A 18 9.227 -4.495 -6.001 1.00 0.00 O ATOM 253 CB ARG A 18 10.987 -5.226 -3.140 1.00 0.00 C ATOM 254 CG ARG A 18 12.114 -4.311 -2.656 1.00 0.00 C ATOM 255 CD ARG A 18 12.623 -4.748 -1.281 1.00 0.00 C ATOM 256 NE ARG A 18 13.799 -3.937 -0.895 1.00 0.00 N ATOM 257 CZ ARG A 18 13.738 -2.646 -0.540 1.00 0.00 C ATOM 258 NH1 ARG A 18 12.557 -2.013 -0.519 1.00 0.00 N ATOM 259 NH2 ARG A 18 14.857 -1.989 -0.205 1.00 0.00 N ATOM 0 H ARG A 18 8.642 -6.134 -3.432 1.00 0.00 H new ATOM 0 HA ARG A 18 9.748 -3.474 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.652 -5.862 -2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.360 -5.886 -3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.934 -4.328 -3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.756 -3.283 -2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.833 -4.634 -0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.891 -5.804 -1.302 1.00 0.00 H new ATOM 0 HE ARG A 18 14.713 -4.389 -0.899 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.705 -2.514 -0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.510 -1.031 -0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.756 -2.471 -0.220 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.810 -1.007 0.065 1.00 0.00 H new ATOM 273 N SER A 19 11.135 -3.425 -5.428 1.00 0.00 N ATOM 274 CA SER A 19 11.477 -3.069 -6.795 1.00 0.00 C ATOM 275 C SER A 19 12.138 -4.258 -7.495 1.00 0.00 C ATOM 276 O SER A 19 13.021 -4.903 -6.931 1.00 0.00 O ATOM 277 CB SER A 19 12.402 -1.851 -6.832 1.00 0.00 C ATOM 278 OG SER A 19 11.675 -0.627 -6.753 1.00 0.00 O ATOM 0 H SER A 19 11.802 -3.107 -4.725 1.00 0.00 H new ATOM 0 HA SER A 19 10.558 -2.810 -7.321 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.109 -1.907 -6.004 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.986 -1.867 -7.752 1.00 0.00 H new ATOM 0 HG SER A 19 12.300 0.127 -6.778 1.00 0.00 H new ATOM 284 N ILE A 20 11.685 -4.512 -8.714 1.00 0.00 N ATOM 285 CA ILE A 20 12.222 -5.612 -9.498 1.00 0.00 C ATOM 286 C ILE A 20 11.842 -6.938 -8.834 1.00 0.00 C ATOM 287 O ILE A 20 10.885 -7.591 -9.247 1.00 0.00 O ATOM 288 CB ILE A 20 13.727 -5.438 -9.706 1.00 0.00 C ATOM 289 CG1 ILE A 20 14.036 -4.105 -10.390 1.00 0.00 C ATOM 290 CG2 ILE A 20 14.316 -6.625 -10.470 1.00 0.00 C ATOM 291 CD1 ILE A 20 15.418 -4.132 -11.045 1.00 0.00 C ATOM 0 H ILE A 20 10.952 -3.975 -9.178 1.00 0.00 H new ATOM 0 HA ILE A 20 11.785 -5.617 -10.496 1.00 0.00 H new ATOM 0 HB ILE A 20 14.206 -5.416 -8.727 1.00 0.00 H new ATOM 0 HG12 ILE A 20 13.277 -3.894 -11.143 1.00 0.00 H new ATOM 0 HG13 ILE A 20 13.992 -3.298 -9.659 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.387 -6.476 -10.604 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.145 -7.542 -9.906 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.836 -6.704 -11.445 1.00 0.00 H new ATOM 0 HD11 ILE A 20 15.612 -3.172 -11.524 1.00 0.00 H new ATOM 0 HD12 ILE A 20 16.177 -4.319 -10.285 1.00 0.00 H new ATOM 0 HD13 ILE A 20 15.451 -4.924 -11.793 1.00 0.00 H new ATOM 303 N VAL A 21 12.612 -7.296 -7.817 1.00 0.00 N ATOM 304 CA VAL A 21 12.368 -8.532 -7.093 1.00 0.00 C ATOM 305 C VAL A 21 10.890 -8.608 -6.706 1.00 0.00 C ATOM 306 O VAL A 21 10.268 -7.588 -6.412 1.00 0.00 O ATOM 307 CB VAL A 21 13.307 -8.626 -5.888 1.00 0.00 C ATOM 308 CG1 VAL A 21 13.228 -7.360 -5.032 1.00 0.00 C ATOM 309 CG2 VAL A 21 13.004 -9.872 -5.054 1.00 0.00 C ATOM 0 H VAL A 21 13.405 -6.752 -7.477 1.00 0.00 H new ATOM 0 HA VAL A 21 12.583 -9.394 -7.725 1.00 0.00 H new ATOM 0 HB VAL A 21 14.327 -8.714 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.905 -7.452 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.515 -6.497 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.208 -7.228 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.685 -9.915 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.976 -9.828 -4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.135 -10.762 -5.669 1.00 0.00 H new ATOM 319 N LYS A 22 10.370 -9.827 -6.720 1.00 0.00 N ATOM 320 CA LYS A 22 8.976 -10.050 -6.374 1.00 0.00 C ATOM 321 C LYS A 22 8.883 -10.510 -4.918 1.00 0.00 C ATOM 322 O LYS A 22 8.540 -11.660 -4.648 1.00 0.00 O ATOM 323 CB LYS A 22 8.326 -11.015 -7.367 1.00 0.00 C ATOM 324 CG LYS A 22 6.800 -10.928 -7.297 1.00 0.00 C ATOM 325 CD LYS A 22 6.233 -10.237 -8.539 1.00 0.00 C ATOM 326 CE LYS A 22 4.840 -10.774 -8.877 1.00 0.00 C ATOM 327 NZ LYS A 22 3.897 -9.657 -9.109 1.00 0.00 N ATOM 0 H LYS A 22 10.889 -10.670 -6.965 1.00 0.00 H new ATOM 0 HA LYS A 22 8.411 -9.121 -6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.661 -10.783 -8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.646 -12.034 -7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.379 -11.929 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.504 -10.378 -6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.181 -9.162 -8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.902 -10.394 -9.385 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.892 -11.404 -9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.478 -11.401 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.079 -10.000 -9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.572 -9.281 -8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.376 -8.904 -9.643 1.00 0.00 H new ATOM 341 N ASN A 23 9.196 -9.589 -4.019 1.00 0.00 N ATOM 342 CA ASN A 23 9.153 -9.886 -2.597 1.00 0.00 C ATOM 343 C ASN A 23 8.158 -8.945 -1.914 1.00 0.00 C ATOM 344 O ASN A 23 8.074 -7.768 -2.260 1.00 0.00 O ATOM 345 CB ASN A 23 10.523 -9.678 -1.948 1.00 0.00 C ATOM 346 CG ASN A 23 11.148 -11.015 -1.546 1.00 0.00 C ATOM 347 OD1 ASN A 23 10.486 -12.035 -1.448 1.00 0.00 O ATOM 348 ND2 ASN A 23 12.457 -10.953 -1.320 1.00 0.00 N ATOM 0 H ASN A 23 9.481 -8.636 -4.247 1.00 0.00 H new ATOM 0 HA ASN A 23 8.853 -10.927 -2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.183 -9.158 -2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.420 -9.042 -1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.968 -11.793 -1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.950 -10.066 -1.420 1.00 0.00 H new ATOM 355 N TRP A 24 7.430 -9.500 -0.956 1.00 0.00 N ATOM 356 CA TRP A 24 6.444 -8.725 -0.222 1.00 0.00 C ATOM 357 C TRP A 24 7.109 -8.202 1.054 1.00 0.00 C ATOM 358 O TRP A 24 7.690 -8.973 1.816 1.00 0.00 O ATOM 359 CB TRP A 24 5.189 -9.555 0.055 1.00 0.00 C ATOM 360 CG TRP A 24 4.459 -10.018 -1.207 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.621 -11.165 -1.880 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.437 -9.293 -1.924 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.782 -11.232 -2.974 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.040 -10.058 -3.001 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.868 -8.033 -1.670 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.057 -9.649 -3.911 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.887 -7.638 -2.588 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.476 -8.397 -3.678 1.00 0.00 C ATOM 0 H TRP A 24 7.503 -10.477 -0.671 1.00 0.00 H new ATOM 0 HA TRP A 24 6.105 -7.874 -0.812 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.467 -10.430 0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.503 -8.966 0.664 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.320 -11.940 -1.602 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.719 -12.002 -3.640 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.164 -7.418 -0.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.763 -10.266 -4.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.417 -6.677 -2.439 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.711 -8.022 -4.342 1.00 0.00 H new ATOM 379 N GLN A 25 7.000 -6.896 1.247 1.00 0.00 N ATOM 380 CA GLN A 25 7.583 -6.262 2.417 1.00 0.00 C ATOM 381 C GLN A 25 6.482 -5.754 3.350 1.00 0.00 C ATOM 382 O GLN A 25 5.694 -4.888 2.972 1.00 0.00 O ATOM 383 CB GLN A 25 8.526 -5.126 2.012 1.00 0.00 C ATOM 384 CG GLN A 25 9.589 -4.887 3.086 1.00 0.00 C ATOM 385 CD GLN A 25 10.600 -6.035 3.122 1.00 0.00 C ATOM 386 OE1 GLN A 25 10.522 -6.989 2.366 1.00 0.00 O ATOM 387 NE2 GLN A 25 11.550 -5.890 4.041 1.00 0.00 N ATOM 0 H GLN A 25 6.517 -6.260 0.613 1.00 0.00 H new ATOM 0 HA GLN A 25 8.172 -7.006 2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.009 -5.369 1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.953 -4.212 1.852 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.106 -3.948 2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.111 -4.788 4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.557 -5.066 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.272 -6.603 4.145 1.00 0.00 H new ATOM 396 N GLN A 26 6.462 -6.315 4.550 1.00 0.00 N ATOM 397 CA GLN A 26 5.470 -5.930 5.539 1.00 0.00 C ATOM 398 C GLN A 26 5.828 -4.573 6.149 1.00 0.00 C ATOM 399 O GLN A 26 6.686 -4.489 7.027 1.00 0.00 O ATOM 400 CB GLN A 26 5.335 -7.000 6.625 1.00 0.00 C ATOM 401 CG GLN A 26 3.964 -6.925 7.300 1.00 0.00 C ATOM 402 CD GLN A 26 3.145 -8.187 7.020 1.00 0.00 C ATOM 403 OE1 GLN A 26 2.298 -8.227 6.143 1.00 0.00 O ATOM 404 NE2 GLN A 26 3.444 -9.212 7.812 1.00 0.00 N ATOM 0 H GLN A 26 7.117 -7.033 4.860 1.00 0.00 H new ATOM 0 HA GLN A 26 4.505 -5.840 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.475 -7.988 6.187 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.119 -6.868 7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.091 -6.800 8.375 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.424 -6.049 6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.165 -9.111 8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.953 -10.100 7.705 1.00 0.00 H new ATOM 413 N ARG A 27 5.152 -3.544 5.660 1.00 0.00 N ATOM 414 CA ARG A 27 5.388 -2.195 6.146 1.00 0.00 C ATOM 415 C ARG A 27 4.126 -1.642 6.812 1.00 0.00 C ATOM 416 O ARG A 27 3.026 -2.137 6.571 1.00 0.00 O ATOM 417 CB ARG A 27 5.804 -1.263 5.006 1.00 0.00 C ATOM 418 CG ARG A 27 7.123 -1.720 4.379 1.00 0.00 C ATOM 419 CD ARG A 27 8.218 -0.669 4.580 1.00 0.00 C ATOM 420 NE ARG A 27 9.478 -1.125 3.952 1.00 0.00 N ATOM 421 CZ ARG A 27 10.347 -1.963 4.533 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.098 -2.443 5.759 1.00 0.00 N ATOM 423 NH2 ARG A 27 11.465 -2.323 3.887 1.00 0.00 N ATOM 0 H ARG A 27 4.441 -3.617 4.932 1.00 0.00 H new ATOM 0 HA ARG A 27 6.197 -2.243 6.875 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.024 -1.242 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.909 -0.246 5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.434 -2.665 4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.980 -1.902 3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.907 0.280 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.375 -0.494 5.644 1.00 0.00 H new ATOM 0 HE ARG A 27 9.699 -0.780 3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.247 -2.170 6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.760 -3.081 6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.654 -1.959 2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.127 -2.961 4.329 1.00 0.00 H new ATOM 437 N TYR A 28 4.327 -0.624 7.635 1.00 0.00 N ATOM 438 CA TYR A 28 3.219 0.001 8.337 1.00 0.00 C ATOM 439 C TYR A 28 2.661 1.182 7.540 1.00 0.00 C ATOM 440 O TYR A 28 3.250 2.262 7.530 1.00 0.00 O ATOM 441 CB TYR A 28 3.794 0.518 9.657 1.00 0.00 C ATOM 442 CG TYR A 28 2.744 1.094 10.610 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.402 0.890 10.362 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.140 1.817 11.717 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.414 1.432 11.259 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.152 2.358 12.614 1.00 0.00 C ATOM 447 CZ TYR A 28 0.838 2.139 12.341 1.00 0.00 C ATOM 448 OH TYR A 28 -0.095 2.651 13.188 1.00 0.00 O ATOM 0 H TYR A 28 5.241 -0.216 7.832 1.00 0.00 H new ATOM 0 HA TYR A 28 2.408 -0.712 8.485 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.316 -0.297 10.158 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.536 1.287 9.442 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.093 0.324 9.496 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.190 1.977 11.910 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.640 1.281 11.077 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.448 2.925 13.484 1.00 0.00 H new ATOM 0 HH TYR A 28 0.352 3.131 13.916 1.00 0.00 H new ATOM 458 N PHE A 29 1.533 0.937 6.891 1.00 0.00 N ATOM 459 CA PHE A 29 0.889 1.967 6.093 1.00 0.00 C ATOM 460 C PHE A 29 -0.079 2.793 6.942 1.00 0.00 C ATOM 461 O PHE A 29 -0.769 2.254 7.805 1.00 0.00 O ATOM 462 CB PHE A 29 0.101 1.253 4.992 1.00 0.00 C ATOM 463 CG PHE A 29 0.918 0.960 3.732 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.696 -0.154 3.670 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.867 1.813 2.675 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.455 -0.426 2.501 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.625 1.541 1.505 1.00 0.00 C ATOM 468 CZ PHE A 29 2.403 0.427 1.443 1.00 0.00 C ATOM 0 H PHE A 29 1.048 0.040 6.901 1.00 0.00 H new ATOM 0 HA PHE A 29 1.639 2.643 5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.287 0.314 5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.760 1.864 4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.737 -0.832 4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.250 2.698 2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.073 -1.310 2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.584 2.218 0.665 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.979 0.220 0.554 1.00 0.00 H new ATOM 478 N VAL A 30 -0.097 4.090 6.667 1.00 0.00 N ATOM 479 CA VAL A 30 -0.969 4.996 7.395 1.00 0.00 C ATOM 480 C VAL A 30 -1.642 5.952 6.408 1.00 0.00 C ATOM 481 O VAL A 30 -1.005 6.436 5.474 1.00 0.00 O ATOM 482 CB VAL A 30 -0.176 5.722 8.484 1.00 0.00 C ATOM 483 CG1 VAL A 30 -1.016 6.827 9.129 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.337 4.738 9.537 1.00 0.00 C ATOM 0 H VAL A 30 0.478 4.534 5.951 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.759 4.442 7.901 1.00 0.00 H new ATOM 0 HB VAL A 30 0.689 6.190 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.429 7.327 9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.310 7.551 8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.908 6.391 9.578 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.897 5.280 10.299 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.508 4.229 10.001 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.988 4.003 9.062 1.00 0.00 H new ATOM 494 N LEU A 31 -2.922 6.195 6.649 1.00 0.00 N ATOM 495 CA LEU A 31 -3.689 7.084 5.793 1.00 0.00 C ATOM 496 C LEU A 31 -3.923 8.409 6.520 1.00 0.00 C ATOM 497 O LEU A 31 -4.501 8.431 7.606 1.00 0.00 O ATOM 498 CB LEU A 31 -4.977 6.401 5.327 1.00 0.00 C ATOM 499 CG LEU A 31 -5.348 6.600 3.856 1.00 0.00 C ATOM 500 CD1 LEU A 31 -6.134 5.401 3.323 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.101 7.916 3.654 1.00 0.00 C ATOM 0 H LEU A 31 -3.447 5.792 7.425 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.131 7.313 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.887 5.331 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.801 6.765 5.941 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.427 6.665 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.386 5.567 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.527 4.500 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.050 5.280 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.353 8.033 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.016 7.907 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.472 8.748 3.971 1.00 0.00 H new ATOM 513 N ARG A 32 -3.464 9.482 5.893 1.00 0.00 N ATOM 514 CA ARG A 32 -3.616 10.807 6.468 1.00 0.00 C ATOM 515 C ARG A 32 -3.899 11.833 5.368 1.00 0.00 C ATOM 516 O ARG A 32 -3.179 11.896 4.373 1.00 0.00 O ATOM 517 CB ARG A 32 -2.359 11.224 7.233 1.00 0.00 C ATOM 518 CG ARG A 32 -2.474 10.863 8.715 1.00 0.00 C ATOM 519 CD ARG A 32 -1.139 11.066 9.434 1.00 0.00 C ATOM 520 NE ARG A 32 -0.994 12.481 9.842 1.00 0.00 N ATOM 521 CZ ARG A 32 -0.509 13.446 9.048 1.00 0.00 C ATOM 522 NH1 ARG A 32 -0.120 13.154 7.799 1.00 0.00 N ATOM 523 NH2 ARG A 32 -0.414 14.703 9.502 1.00 0.00 N ATOM 0 H ARG A 32 -2.986 9.460 4.992 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.455 10.772 7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.487 10.732 6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.204 12.298 7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.241 11.479 9.184 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.792 9.825 8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.086 10.419 10.310 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.316 10.782 8.778 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.281 12.738 10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.193 12.197 7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.249 13.888 7.195 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.711 14.926 10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.045 15.437 8.898 1.00 0.00 H new ATOM 537 N ALA A 33 -4.950 12.611 5.585 1.00 0.00 N ATOM 538 CA ALA A 33 -5.337 13.631 4.625 1.00 0.00 C ATOM 539 C ALA A 33 -5.572 12.978 3.261 1.00 0.00 C ATOM 540 O ALA A 33 -6.129 11.884 3.180 1.00 0.00 O ATOM 541 CB ALA A 33 -4.261 14.718 4.573 1.00 0.00 C ATOM 0 H ALA A 33 -5.545 12.555 6.411 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.269 14.109 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.551 15.483 3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.153 15.170 5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.312 14.276 4.270 1.00 0.00 H new ATOM 547 N GLN A 34 -5.136 13.676 2.223 1.00 0.00 N ATOM 548 CA GLN A 34 -5.293 13.178 0.867 1.00 0.00 C ATOM 549 C GLN A 34 -3.973 12.594 0.361 1.00 0.00 C ATOM 550 O GLN A 34 -3.687 12.639 -0.835 1.00 0.00 O ATOM 551 CB GLN A 34 -5.798 14.280 -0.067 1.00 0.00 C ATOM 552 CG GLN A 34 -7.111 14.875 0.447 1.00 0.00 C ATOM 553 CD GLN A 34 -7.375 16.245 -0.180 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.126 16.387 -1.130 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.716 17.243 0.403 1.00 0.00 N ATOM 0 H GLN A 34 -4.674 14.583 2.294 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.040 12.384 0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.046 15.065 -0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.946 13.874 -1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.935 14.200 0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.071 14.969 1.532 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.102 17.055 1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.825 18.196 0.057 1.00 0.00 H new ATOM 564 N GLN A 35 -3.202 12.058 1.296 1.00 0.00 N ATOM 565 CA GLN A 35 -1.919 11.465 0.960 1.00 0.00 C ATOM 566 C GLN A 35 -1.712 10.168 1.745 1.00 0.00 C ATOM 567 O GLN A 35 -2.032 10.098 2.930 1.00 0.00 O ATOM 568 CB GLN A 35 -0.776 12.449 1.215 1.00 0.00 C ATOM 569 CG GLN A 35 -0.406 13.203 -0.064 1.00 0.00 C ATOM 570 CD GLN A 35 0.198 14.571 0.262 1.00 0.00 C ATOM 571 OE1 GLN A 35 -0.677 15.447 0.747 1.00 0.00 O flip ATOM 572 NE2 GLN A 35 1.380 14.815 0.084 1.00 0.00 N flip ATOM 0 H GLN A 35 -3.442 12.022 2.287 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.918 11.227 -0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.069 13.159 1.988 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.095 11.911 1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.306 12.616 -0.644 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.293 13.331 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.998 14.096 -0.292 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.750 15.738 0.311 1.00 0.00 H new ATOM 581 N LEU A 36 -1.176 9.173 1.052 1.00 0.00 N ATOM 582 CA LEU A 36 -0.922 7.883 1.669 1.00 0.00 C ATOM 583 C LEU A 36 0.557 7.787 2.050 1.00 0.00 C ATOM 584 O LEU A 36 1.431 8.064 1.231 1.00 0.00 O ATOM 585 CB LEU A 36 -1.397 6.750 0.757 1.00 0.00 C ATOM 586 CG LEU A 36 -1.195 5.330 1.291 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.291 5.031 1.502 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.012 5.100 2.563 1.00 0.00 C ATOM 0 H LEU A 36 -0.911 9.235 0.069 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.496 7.782 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.458 6.893 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.877 6.836 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.562 4.628 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.408 4.016 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.820 5.126 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.706 5.737 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.850 4.083 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.699 5.809 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.071 5.244 2.347 1.00 0.00 H new ATOM 600 N TYR A 37 0.790 7.394 3.294 1.00 0.00 N ATOM 601 CA TYR A 37 2.148 7.258 3.793 1.00 0.00 C ATOM 602 C TYR A 37 2.406 5.838 4.301 1.00 0.00 C ATOM 603 O TYR A 37 1.466 5.089 4.565 1.00 0.00 O ATOM 604 CB TYR A 37 2.266 8.235 4.965 1.00 0.00 C ATOM 605 CG TYR A 37 1.710 9.630 4.670 1.00 0.00 C ATOM 606 CD1 TYR A 37 2.503 10.571 4.045 1.00 0.00 C ATOM 607 CD2 TYR A 37 0.416 9.947 5.030 1.00 0.00 C ATOM 608 CE1 TYR A 37 1.979 11.883 3.769 1.00 0.00 C ATOM 609 CE2 TYR A 37 -0.107 11.260 4.754 1.00 0.00 C ATOM 610 CZ TYR A 37 0.700 12.163 4.136 1.00 0.00 C ATOM 611 OH TYR A 37 0.206 13.403 3.875 1.00 0.00 O ATOM 0 H TYR A 37 0.062 7.166 3.971 1.00 0.00 H new ATOM 0 HA TYR A 37 2.870 7.463 3.002 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.741 7.820 5.825 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.315 8.325 5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.516 10.323 3.763 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.204 9.210 5.519 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.589 12.629 3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.117 11.522 5.032 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.720 13.460 4.191 1.00 0.00 H new ATOM 621 N TYR A 38 3.684 5.510 4.421 1.00 0.00 N ATOM 622 CA TYR A 38 4.077 4.193 4.893 1.00 0.00 C ATOM 623 C TYR A 38 5.455 4.237 5.556 1.00 0.00 C ATOM 624 O TYR A 38 6.395 4.810 5.006 1.00 0.00 O ATOM 625 CB TYR A 38 4.151 3.305 3.649 1.00 0.00 C ATOM 626 CG TYR A 38 5.537 3.253 3.003 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.571 2.597 3.640 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.753 3.862 1.783 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.875 2.548 3.032 1.00 0.00 C ATOM 630 CE2 TYR A 38 7.058 3.812 1.176 1.00 0.00 C ATOM 631 CZ TYR A 38 8.054 3.158 1.830 1.00 0.00 C ATOM 632 OH TYR A 38 9.286 3.111 1.256 1.00 0.00 O ATOM 0 H TYR A 38 4.461 6.133 4.200 1.00 0.00 H new ATOM 0 HA TYR A 38 3.366 3.821 5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.849 2.293 3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.432 3.667 2.914 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.402 2.121 4.594 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.944 4.375 1.284 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.693 2.038 3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.241 4.284 0.222 1.00 0.00 H new ATOM 0 HH TYR A 38 9.266 3.587 0.400 1.00 0.00 H new ATOM 642 N TYR A 39 5.533 3.624 6.728 1.00 0.00 N ATOM 643 CA TYR A 39 6.780 3.586 7.472 1.00 0.00 C ATOM 644 C TYR A 39 7.261 2.147 7.663 1.00 0.00 C ATOM 645 O TYR A 39 6.522 1.201 7.395 1.00 0.00 O ATOM 646 CB TYR A 39 6.473 4.195 8.841 1.00 0.00 C ATOM 647 CG TYR A 39 5.719 5.525 8.777 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.379 5.543 8.446 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.378 6.706 9.048 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.669 6.794 8.385 1.00 0.00 C ATOM 651 CE2 TYR A 39 5.669 7.957 8.987 1.00 0.00 C ATOM 652 CZ TYR A 39 4.349 7.940 8.659 1.00 0.00 C ATOM 653 OH TYR A 39 3.678 9.122 8.601 1.00 0.00 O ATOM 0 H TYR A 39 4.752 3.149 7.181 1.00 0.00 H new ATOM 0 HA TYR A 39 7.561 4.128 6.939 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.884 3.483 9.420 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.409 4.346 9.378 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.863 4.618 8.233 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.427 6.692 9.306 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.620 6.822 8.128 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.174 8.888 9.197 1.00 0.00 H new ATOM 0 HH TYR A 39 4.289 9.856 8.821 1.00 0.00 H new ATOM 663 N LYS A 40 8.497 2.026 8.125 1.00 0.00 N ATOM 664 CA LYS A 40 9.085 0.717 8.356 1.00 0.00 C ATOM 665 C LYS A 40 8.559 0.151 9.676 1.00 0.00 C ATOM 666 O LYS A 40 8.204 -1.024 9.755 1.00 0.00 O ATOM 667 CB LYS A 40 10.611 0.796 8.285 1.00 0.00 C ATOM 668 CG LYS A 40 11.077 1.148 6.871 1.00 0.00 C ATOM 669 CD LYS A 40 12.260 0.273 6.450 1.00 0.00 C ATOM 670 CE LYS A 40 12.651 0.543 4.995 1.00 0.00 C ATOM 671 NZ LYS A 40 14.114 0.402 4.817 1.00 0.00 N ATOM 0 H LYS A 40 9.108 2.813 8.346 1.00 0.00 H new ATOM 0 HA LYS A 40 8.788 0.022 7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.973 1.546 8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.042 -0.158 8.587 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.254 1.015 6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.364 2.199 6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.112 0.469 7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.001 -0.779 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.130 -0.152 4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.339 1.547 4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.363 0.588 3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.606 1.083 5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.403 -0.564 5.071 1.00 0.00 H new ATOM 685 N ASP A 41 8.525 1.014 10.681 1.00 0.00 N ATOM 686 CA ASP A 41 8.048 0.615 11.994 1.00 0.00 C ATOM 687 C ASP A 41 7.144 1.713 12.559 1.00 0.00 C ATOM 688 O ASP A 41 7.009 2.780 11.962 1.00 0.00 O ATOM 689 CB ASP A 41 9.213 0.417 12.966 1.00 0.00 C ATOM 690 CG ASP A 41 10.479 -0.178 12.346 1.00 0.00 C ATOM 691 OD1 ASP A 41 10.370 -1.294 11.794 1.00 0.00 O ATOM 692 OD2 ASP A 41 11.527 0.497 12.437 1.00 0.00 O ATOM 0 H ASP A 41 8.820 1.988 10.612 1.00 0.00 H new ATOM 0 HA ASP A 41 7.505 -0.324 11.884 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.463 1.380 13.411 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.884 -0.233 13.777 1.00 0.00 H new ATOM 697 N GLU A 42 6.547 1.413 13.703 1.00 0.00 N ATOM 698 CA GLU A 42 5.659 2.361 14.355 1.00 0.00 C ATOM 699 C GLU A 42 6.422 3.163 15.410 1.00 0.00 C ATOM 700 O GLU A 42 5.951 3.320 16.536 1.00 0.00 O ATOM 701 CB GLU A 42 4.454 1.648 14.973 1.00 0.00 C ATOM 702 CG GLU A 42 4.890 0.720 16.108 1.00 0.00 C ATOM 703 CD GLU A 42 4.416 1.251 17.463 1.00 0.00 C ATOM 704 OE1 GLU A 42 3.182 1.355 17.632 1.00 0.00 O ATOM 705 OE2 GLU A 42 5.299 1.541 18.299 1.00 0.00 O ATOM 0 H GLU A 42 6.661 0.527 14.195 1.00 0.00 H new ATOM 0 HA GLU A 42 5.283 3.054 13.602 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.746 2.385 15.352 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.935 1.072 14.207 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.485 -0.278 15.943 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.976 0.627 16.110 1.00 0.00 H new ATOM 712 N GLU A 43 7.587 3.651 15.009 1.00 0.00 N ATOM 713 CA GLU A 43 8.419 4.434 15.907 1.00 0.00 C ATOM 714 C GLU A 43 8.797 5.765 15.254 1.00 0.00 C ATOM 715 O GLU A 43 8.584 6.828 15.836 1.00 0.00 O ATOM 716 CB GLU A 43 9.668 3.651 16.318 1.00 0.00 C ATOM 717 CG GLU A 43 9.742 3.497 17.839 1.00 0.00 C ATOM 718 CD GLU A 43 11.147 3.817 18.354 1.00 0.00 C ATOM 719 OE1 GLU A 43 12.041 2.974 18.125 1.00 0.00 O ATOM 720 OE2 GLU A 43 11.295 4.897 18.966 1.00 0.00 O ATOM 0 H GLU A 43 7.974 3.519 14.075 1.00 0.00 H new ATOM 0 HA GLU A 43 7.848 4.644 16.811 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.655 2.667 15.849 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.559 4.165 15.957 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.018 4.161 18.311 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.471 2.479 18.119 1.00 0.00 H new ATOM 727 N ASP A 44 9.350 5.664 14.055 1.00 0.00 N ATOM 728 CA ASP A 44 9.759 6.847 13.317 1.00 0.00 C ATOM 729 C ASP A 44 8.561 7.787 13.164 1.00 0.00 C ATOM 730 O ASP A 44 7.414 7.345 13.194 1.00 0.00 O ATOM 731 CB ASP A 44 10.254 6.480 11.917 1.00 0.00 C ATOM 732 CG ASP A 44 11.261 5.329 11.869 1.00 0.00 C ATOM 733 OD1 ASP A 44 12.181 5.344 12.716 1.00 0.00 O ATOM 734 OD2 ASP A 44 11.089 4.461 10.986 1.00 0.00 O ATOM 0 H ASP A 44 9.525 4.781 13.576 1.00 0.00 H new ATOM 0 HA ASP A 44 10.567 7.327 13.870 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.394 6.217 11.301 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.710 7.361 11.467 1.00 0.00 H new ATOM 739 N THR A 45 8.869 9.065 13.002 1.00 0.00 N ATOM 740 CA THR A 45 7.832 10.071 12.844 1.00 0.00 C ATOM 741 C THR A 45 7.882 10.671 11.437 1.00 0.00 C ATOM 742 O THR A 45 7.176 11.635 11.145 1.00 0.00 O ATOM 743 CB THR A 45 8.006 11.108 13.954 1.00 0.00 C ATOM 744 OG1 THR A 45 6.868 11.955 13.820 1.00 0.00 O ATOM 745 CG2 THR A 45 9.195 12.039 13.704 1.00 0.00 C ATOM 0 H THR A 45 9.822 9.427 12.977 1.00 0.00 H new ATOM 0 HA THR A 45 6.838 9.634 12.942 1.00 0.00 H new ATOM 0 HB THR A 45 8.138 10.599 14.909 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.672 12.092 12.870 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.274 12.756 14.521 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.111 11.452 13.647 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.048 12.573 12.766 1.00 0.00 H new ATOM 753 N LYS A 46 8.723 10.077 10.604 1.00 0.00 N ATOM 754 CA LYS A 46 8.874 10.541 9.235 1.00 0.00 C ATOM 755 C LYS A 46 8.411 9.443 8.275 1.00 0.00 C ATOM 756 O LYS A 46 8.778 8.280 8.433 1.00 0.00 O ATOM 757 CB LYS A 46 10.308 11.012 8.985 1.00 0.00 C ATOM 758 CG LYS A 46 10.349 12.090 7.900 1.00 0.00 C ATOM 759 CD LYS A 46 11.491 13.077 8.150 1.00 0.00 C ATOM 760 CE LYS A 46 12.400 13.186 6.924 1.00 0.00 C ATOM 761 NZ LYS A 46 11.961 14.297 6.050 1.00 0.00 N ATOM 0 H LYS A 46 9.307 9.278 10.850 1.00 0.00 H new ATOM 0 HA LYS A 46 8.241 11.410 9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.732 11.405 9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.926 10.165 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.475 11.623 6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.400 12.625 7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.082 14.058 8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.074 12.753 9.012 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.430 13.350 7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.383 12.249 6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.589 14.357 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.986 14.125 5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.000 15.191 6.579 1.00 0.00 H new ATOM 775 N PRO A 47 7.591 9.864 7.275 1.00 0.00 N ATOM 776 CA PRO A 47 7.074 8.930 6.289 1.00 0.00 C ATOM 777 C PRO A 47 8.159 8.539 5.283 1.00 0.00 C ATOM 778 O PRO A 47 9.079 9.313 5.023 1.00 0.00 O ATOM 779 CB PRO A 47 5.899 9.647 5.646 1.00 0.00 C ATOM 780 CG PRO A 47 6.086 11.122 5.964 1.00 0.00 C ATOM 781 CD PRO A 47 7.136 11.234 7.057 1.00 0.00 C ATOM 0 HA PRO A 47 6.754 7.986 6.731 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.881 9.479 4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.953 9.279 6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.401 11.667 5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.145 11.564 6.292 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.959 11.881 6.751 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.716 11.661 7.967 1.00 0.00 H new ATOM 789 N GLN A 48 8.015 7.337 4.743 1.00 0.00 N ATOM 790 CA GLN A 48 8.970 6.834 3.771 1.00 0.00 C ATOM 791 C GLN A 48 8.509 7.168 2.351 1.00 0.00 C ATOM 792 O GLN A 48 9.298 7.636 1.532 1.00 0.00 O ATOM 793 CB GLN A 48 9.181 5.328 3.939 1.00 0.00 C ATOM 794 CG GLN A 48 9.757 5.006 5.319 1.00 0.00 C ATOM 795 CD GLN A 48 11.256 5.310 5.373 1.00 0.00 C ATOM 796 OE1 GLN A 48 11.700 6.264 5.990 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.007 4.448 4.694 1.00 0.00 N ATOM 0 H GLN A 48 7.251 6.697 4.961 1.00 0.00 H new ATOM 0 HA GLN A 48 9.928 7.324 3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.233 4.807 3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.856 4.963 3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.237 5.589 6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.587 3.955 5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.570 3.670 4.199 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.020 4.564 4.668 1.00 0.00 H new ATOM 806 N GLY A 49 7.232 6.914 2.103 1.00 0.00 N ATOM 807 CA GLY A 49 6.656 7.182 0.796 1.00 0.00 C ATOM 808 C GLY A 49 5.431 8.091 0.912 1.00 0.00 C ATOM 809 O GLY A 49 4.909 8.297 2.007 1.00 0.00 O ATOM 0 H GLY A 49 6.580 6.526 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.402 7.652 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.373 6.243 0.320 1.00 0.00 H new ATOM 813 N CYS A 50 5.008 8.610 -0.231 1.00 0.00 N ATOM 814 CA CYS A 50 3.854 9.492 -0.271 1.00 0.00 C ATOM 815 C CYS A 50 3.159 9.312 -1.622 1.00 0.00 C ATOM 816 O CYS A 50 3.734 9.617 -2.665 1.00 0.00 O ATOM 817 CB CYS A 50 4.247 10.949 -0.021 1.00 0.00 C ATOM 818 SG CYS A 50 2.752 12.004 0.013 1.00 0.00 S ATOM 0 H CYS A 50 5.444 8.437 -1.137 1.00 0.00 H new ATOM 0 HA CYS A 50 3.163 9.228 0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.783 11.033 0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.925 11.291 -0.803 1.00 0.00 H new ATOM 0 HG CYS A 50 2.313 12.095 1.233 1.00 0.00 H new ATOM 824 N MET A 51 1.931 8.818 -1.558 1.00 0.00 N ATOM 825 CA MET A 51 1.151 8.594 -2.764 1.00 0.00 C ATOM 826 C MET A 51 -0.102 9.472 -2.776 1.00 0.00 C ATOM 827 O MET A 51 -0.915 9.413 -1.855 1.00 0.00 O ATOM 828 CB MET A 51 0.745 7.122 -2.843 1.00 0.00 C ATOM 829 CG MET A 51 0.617 6.666 -4.298 1.00 0.00 C ATOM 830 SD MET A 51 2.151 5.936 -4.846 1.00 0.00 S ATOM 831 CE MET A 51 1.518 4.604 -5.852 1.00 0.00 C ATOM 0 H MET A 51 1.457 8.567 -0.690 1.00 0.00 H new ATOM 0 HA MET A 51 1.764 8.857 -3.626 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.486 6.509 -2.330 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.204 6.975 -2.327 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.193 5.943 -4.391 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.361 7.515 -4.933 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.348 4.009 -6.232 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.864 3.973 -5.250 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.954 5.016 -6.689 1.00 0.00 H new ATOM 841 N TYR A 52 -0.220 10.265 -3.831 1.00 0.00 N ATOM 842 CA TYR A 52 -1.360 11.153 -3.976 1.00 0.00 C ATOM 843 C TYR A 52 -2.640 10.362 -4.252 1.00 0.00 C ATOM 844 O TYR A 52 -2.845 9.873 -5.362 1.00 0.00 O ATOM 845 CB TYR A 52 -1.053 12.041 -5.184 1.00 0.00 C ATOM 846 CG TYR A 52 -1.693 13.429 -5.115 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.699 14.127 -3.925 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.263 13.982 -6.243 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.301 15.434 -3.860 1.00 0.00 C ATOM 850 CE2 TYR A 52 -2.865 15.289 -6.179 1.00 0.00 C ATOM 851 CZ TYR A 52 -2.854 15.950 -4.990 1.00 0.00 C ATOM 852 OH TYR A 52 -3.423 17.184 -4.929 1.00 0.00 O ATOM 0 H TYR A 52 0.456 10.311 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.516 11.728 -3.063 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.027 12.154 -5.273 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.397 11.538 -6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.252 13.694 -3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.258 13.435 -7.174 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.313 15.991 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.315 15.734 -7.054 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.777 17.425 -5.811 1.00 0.00 H new ATOM 862 N LEU A 53 -3.468 10.259 -3.223 1.00 0.00 N ATOM 863 CA LEU A 53 -4.722 9.535 -3.340 1.00 0.00 C ATOM 864 C LEU A 53 -5.550 10.139 -4.476 1.00 0.00 C ATOM 865 O LEU A 53 -6.129 9.412 -5.282 1.00 0.00 O ATOM 866 CB LEU A 53 -5.452 9.506 -1.996 1.00 0.00 C ATOM 867 CG LEU A 53 -4.797 8.670 -0.895 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.811 8.301 0.190 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.110 7.434 -1.480 1.00 0.00 C ATOM 0 H LEU A 53 -3.295 10.665 -2.304 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.537 8.492 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.551 10.530 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.461 9.127 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.024 9.275 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.320 7.707 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.215 9.210 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.622 7.722 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.652 6.857 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.847 6.818 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.341 7.746 -2.186 1.00 0.00 H new ATOM 881 N PRO A 54 -5.580 11.498 -4.506 1.00 0.00 N ATOM 882 CA PRO A 54 -6.328 12.208 -5.530 1.00 0.00 C ATOM 883 C PRO A 54 -5.597 12.161 -6.874 1.00 0.00 C ATOM 884 O PRO A 54 -4.957 13.133 -7.271 1.00 0.00 O ATOM 885 CB PRO A 54 -6.490 13.620 -4.992 1.00 0.00 C ATOM 886 CG PRO A 54 -5.435 13.777 -3.908 1.00 0.00 C ATOM 887 CD PRO A 54 -4.907 12.392 -3.569 1.00 0.00 C ATOM 0 HA PRO A 54 -7.301 11.758 -5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.351 14.357 -5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.491 13.771 -4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.626 14.420 -4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.863 14.250 -3.024 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.824 12.342 -3.683 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.131 12.125 -2.536 1.00 0.00 H new ATOM 895 N GLY A 55 -5.717 11.020 -7.536 1.00 0.00 N ATOM 896 CA GLY A 55 -5.076 10.833 -8.827 1.00 0.00 C ATOM 897 C GLY A 55 -4.334 9.496 -8.882 1.00 0.00 C ATOM 898 O GLY A 55 -3.209 9.426 -9.374 1.00 0.00 O ATOM 0 H GLY A 55 -6.248 10.216 -7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.825 10.870 -9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.377 11.649 -9.012 1.00 0.00 H new ATOM 902 N CYS A 56 -4.994 8.468 -8.370 1.00 0.00 N ATOM 903 CA CYS A 56 -4.411 7.137 -8.355 1.00 0.00 C ATOM 904 C CYS A 56 -5.450 6.151 -8.895 1.00 0.00 C ATOM 905 O CYS A 56 -6.597 6.523 -9.138 1.00 0.00 O ATOM 906 CB CYS A 56 -3.927 6.747 -6.957 1.00 0.00 C ATOM 907 SG CYS A 56 -2.274 7.467 -6.644 1.00 0.00 S ATOM 0 H CYS A 56 -5.927 8.530 -7.962 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.527 7.117 -8.992 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.634 7.100 -6.207 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.883 5.662 -6.868 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.378 8.432 -5.779 1.00 0.00 H new ATOM 913 N THR A 57 -5.011 4.913 -9.067 1.00 0.00 N ATOM 914 CA THR A 57 -5.888 3.871 -9.573 1.00 0.00 C ATOM 915 C THR A 57 -5.735 2.595 -8.743 1.00 0.00 C ATOM 916 O THR A 57 -4.753 1.869 -8.890 1.00 0.00 O ATOM 917 CB THR A 57 -5.577 3.672 -11.058 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.271 4.735 -11.704 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.223 2.406 -11.626 1.00 0.00 C ATOM 0 H THR A 57 -4.059 4.608 -8.865 1.00 0.00 H new ATOM 0 HA THR A 57 -6.936 4.156 -9.481 1.00 0.00 H new ATOM 0 HB THR A 57 -4.497 3.624 -11.200 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.122 4.683 -12.671 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.971 2.312 -12.682 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.853 1.535 -11.086 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.306 2.469 -11.515 1.00 0.00 H new ATOM 927 N ILE A 58 -6.721 2.360 -7.890 1.00 0.00 N ATOM 928 CA ILE A 58 -6.708 1.184 -7.036 1.00 0.00 C ATOM 929 C ILE A 58 -7.210 -0.023 -7.831 1.00 0.00 C ATOM 930 O ILE A 58 -8.413 -0.179 -8.034 1.00 0.00 O ATOM 931 CB ILE A 58 -7.496 1.446 -5.751 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.802 2.501 -4.888 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.739 0.146 -4.983 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.641 3.778 -4.802 1.00 0.00 C ATOM 0 H ILE A 58 -7.534 2.964 -7.772 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.691 0.955 -6.717 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.473 1.846 -6.024 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.634 2.104 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.823 2.732 -5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.301 0.360 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.307 -0.544 -5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.782 -0.306 -4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.125 4.512 -4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.787 4.186 -5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.610 3.547 -4.360 1.00 0.00 H new ATOM 946 N LYS A 59 -6.264 -0.845 -8.259 1.00 0.00 N ATOM 947 CA LYS A 59 -6.595 -2.033 -9.027 1.00 0.00 C ATOM 948 C LYS A 59 -6.434 -3.270 -8.140 1.00 0.00 C ATOM 949 O LYS A 59 -5.561 -3.308 -7.275 1.00 0.00 O ATOM 950 CB LYS A 59 -5.770 -2.087 -10.314 1.00 0.00 C ATOM 951 CG LYS A 59 -5.894 -0.781 -11.100 1.00 0.00 C ATOM 952 CD LYS A 59 -6.019 -1.054 -12.601 1.00 0.00 C ATOM 953 CE LYS A 59 -4.735 -1.673 -13.155 1.00 0.00 C ATOM 954 NZ LYS A 59 -5.050 -2.835 -14.016 1.00 0.00 N ATOM 0 H LYS A 59 -5.267 -0.712 -8.088 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.637 -2.002 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.723 -2.272 -10.072 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.106 -2.920 -10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.766 -0.225 -10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.022 -0.155 -10.912 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.858 -1.725 -12.783 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.235 -0.124 -13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.182 -0.928 -13.727 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.091 -1.986 -12.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.167 -3.244 -14.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.558 -3.552 -13.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.646 -2.527 -14.810 1.00 0.00 H new ATOM 968 N GLU A 60 -7.290 -4.250 -8.387 1.00 0.00 N ATOM 969 CA GLU A 60 -7.254 -5.485 -7.622 1.00 0.00 C ATOM 970 C GLU A 60 -6.515 -6.573 -8.404 1.00 0.00 C ATOM 971 O GLU A 60 -7.091 -7.208 -9.286 1.00 0.00 O ATOM 972 CB GLU A 60 -8.666 -5.941 -7.249 1.00 0.00 C ATOM 973 CG GLU A 60 -9.277 -5.022 -6.189 1.00 0.00 C ATOM 974 CD GLU A 60 -10.748 -5.367 -5.947 1.00 0.00 C ATOM 975 OE1 GLU A 60 -10.993 -6.476 -5.427 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.594 -4.512 -6.289 1.00 0.00 O ATOM 0 H GLU A 60 -8.013 -4.214 -9.106 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.711 -5.299 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.297 -5.947 -8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.634 -6.964 -6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.720 -5.115 -5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.191 -3.984 -6.509 1.00 0.00 H new ATOM 983 N ILE A 61 -5.250 -6.754 -8.053 1.00 0.00 N ATOM 984 CA ILE A 61 -4.427 -7.754 -8.711 1.00 0.00 C ATOM 985 C ILE A 61 -4.851 -9.147 -8.242 1.00 0.00 C ATOM 986 O ILE A 61 -5.112 -9.355 -7.058 1.00 0.00 O ATOM 987 CB ILE A 61 -2.942 -7.456 -8.489 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.655 -5.961 -8.640 1.00 0.00 C ATOM 989 CG2 ILE A 61 -2.069 -8.305 -9.415 1.00 0.00 C ATOM 990 CD1 ILE A 61 -3.331 -5.396 -9.891 1.00 0.00 C ATOM 0 H ILE A 61 -4.775 -6.225 -7.321 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.578 -7.721 -9.790 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.687 -7.730 -7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.011 -5.428 -7.758 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.579 -5.798 -8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.019 -8.074 -9.237 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.247 -9.362 -9.215 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.318 -8.085 -10.453 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.111 -4.332 -9.974 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.955 -5.914 -10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.409 -5.539 -9.818 1.00 0.00 H new ATOM 1002 N ALA A 62 -4.908 -10.066 -9.195 1.00 0.00 N ATOM 1003 CA ALA A 62 -5.296 -11.433 -8.894 1.00 0.00 C ATOM 1004 C ALA A 62 -4.050 -12.321 -8.879 1.00 0.00 C ATOM 1005 O ALA A 62 -3.071 -12.035 -9.567 1.00 0.00 O ATOM 1006 CB ALA A 62 -6.335 -11.905 -9.914 1.00 0.00 C ATOM 0 H ALA A 62 -4.692 -9.890 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.756 -11.493 -7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.626 -12.931 -9.688 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.212 -11.260 -9.865 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.908 -11.861 -10.916 1.00 0.00 H new ATOM 1012 N THR A 63 -4.127 -13.380 -8.086 1.00 0.00 N ATOM 1013 CA THR A 63 -3.017 -14.311 -7.972 1.00 0.00 C ATOM 1014 C THR A 63 -3.101 -15.377 -9.066 1.00 0.00 C ATOM 1015 O THR A 63 -3.099 -15.055 -10.253 1.00 0.00 O ATOM 1016 CB THR A 63 -3.030 -14.891 -6.557 1.00 0.00 C ATOM 1017 OG1 THR A 63 -2.940 -13.747 -5.712 1.00 0.00 O ATOM 1018 CG2 THR A 63 -1.765 -15.690 -6.239 1.00 0.00 C ATOM 0 H THR A 63 -4.940 -13.614 -7.517 1.00 0.00 H new ATOM 0 HA THR A 63 -2.062 -13.808 -8.124 1.00 0.00 H new ATOM 0 HB THR A 63 -3.903 -15.532 -6.436 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.627 -14.020 -4.824 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.826 -16.079 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.673 -16.519 -6.940 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.893 -15.042 -6.327 1.00 0.00 H new ATOM 1026 N ASN A 64 -3.173 -16.626 -8.627 1.00 0.00 N ATOM 1027 CA ASN A 64 -3.258 -17.741 -9.554 1.00 0.00 C ATOM 1028 C ASN A 64 -4.302 -17.428 -10.628 1.00 0.00 C ATOM 1029 O ASN A 64 -5.047 -16.457 -10.510 1.00 0.00 O ATOM 1030 CB ASN A 64 -3.687 -19.022 -8.837 1.00 0.00 C ATOM 1031 CG ASN A 64 -2.619 -20.110 -8.970 1.00 0.00 C ATOM 1032 OD1 ASN A 64 -1.462 -19.848 -9.256 1.00 0.00 O ATOM 1033 ND2 ASN A 64 -3.070 -21.341 -8.749 1.00 0.00 N ATOM 0 H ASN A 64 -3.174 -16.889 -7.642 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.272 -17.888 -9.996 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.866 -18.810 -7.783 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.628 -19.379 -9.255 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.435 -22.136 -8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.051 -21.490 -8.514 1.00 0.00 H new ATOM 1040 N PRO A 65 -4.322 -18.291 -11.679 1.00 0.00 N ATOM 1041 CA PRO A 65 -5.262 -18.117 -12.773 1.00 0.00 C ATOM 1042 C PRO A 65 -6.673 -18.537 -12.356 1.00 0.00 C ATOM 1043 O PRO A 65 -6.859 -19.600 -11.765 1.00 0.00 O ATOM 1044 CB PRO A 65 -4.703 -18.957 -13.910 1.00 0.00 C ATOM 1045 CG PRO A 65 -3.732 -19.934 -13.267 1.00 0.00 C ATOM 1046 CD PRO A 65 -3.454 -19.452 -11.853 1.00 0.00 C ATOM 0 HA PRO A 65 -5.364 -17.076 -13.078 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.500 -19.485 -14.434 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.198 -18.332 -14.646 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.155 -20.938 -13.252 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.807 -19.987 -13.841 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.677 -20.227 -11.120 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.405 -19.185 -11.725 1.00 0.00 H new ATOM 1054 N GLU A 66 -7.631 -17.681 -12.680 1.00 0.00 N ATOM 1055 CA GLU A 66 -9.019 -17.950 -12.346 1.00 0.00 C ATOM 1056 C GLU A 66 -9.117 -18.593 -10.961 1.00 0.00 C ATOM 1057 O GLU A 66 -9.688 -19.673 -10.813 1.00 0.00 O ATOM 1058 CB GLU A 66 -9.677 -18.833 -13.409 1.00 0.00 C ATOM 1059 CG GLU A 66 -11.099 -19.219 -12.996 1.00 0.00 C ATOM 1060 CD GLU A 66 -11.275 -20.739 -12.993 1.00 0.00 C ATOM 1061 OE1 GLU A 66 -11.450 -21.293 -14.100 1.00 0.00 O ATOM 1062 OE2 GLU A 66 -11.231 -21.313 -11.884 1.00 0.00 O ATOM 0 H GLU A 66 -7.473 -16.801 -13.170 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.557 -17.003 -12.324 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.702 -18.304 -14.362 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.081 -19.733 -13.559 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.314 -18.822 -12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.816 -18.768 -13.682 1.00 0.00 H new ATOM 1069 N GLU A 67 -8.552 -17.902 -9.982 1.00 0.00 N ATOM 1070 CA GLU A 67 -8.569 -18.393 -8.614 1.00 0.00 C ATOM 1071 C GLU A 67 -9.430 -17.484 -7.735 1.00 0.00 C ATOM 1072 O GLU A 67 -10.060 -16.551 -8.231 1.00 0.00 O ATOM 1073 CB GLU A 67 -7.149 -18.510 -8.057 1.00 0.00 C ATOM 1074 CG GLU A 67 -6.905 -19.900 -7.466 1.00 0.00 C ATOM 1075 CD GLU A 67 -7.176 -20.992 -8.503 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -6.262 -21.241 -9.318 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -8.293 -21.553 -8.457 1.00 0.00 O ATOM 0 H GLU A 67 -8.080 -17.007 -10.108 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.009 -19.390 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.426 -18.316 -8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.992 -17.752 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.876 -19.974 -7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.549 -20.049 -6.599 1.00 0.00 H new ATOM 1084 N ALA A 68 -9.429 -17.788 -6.446 1.00 0.00 N ATOM 1085 CA ALA A 68 -10.203 -17.010 -5.493 1.00 0.00 C ATOM 1086 C ALA A 68 -9.352 -15.845 -4.983 1.00 0.00 C ATOM 1087 O ALA A 68 -9.291 -15.596 -3.780 1.00 0.00 O ATOM 1088 CB ALA A 68 -10.683 -17.920 -4.361 1.00 0.00 C ATOM 0 H ALA A 68 -8.905 -18.562 -6.039 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.088 -16.589 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -11.263 -17.336 -3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.306 -18.714 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.822 -18.359 -3.857 1.00 0.00 H new ATOM 1094 N GLY A 69 -8.717 -15.161 -5.923 1.00 0.00 N ATOM 1095 CA GLY A 69 -7.873 -14.028 -5.584 1.00 0.00 C ATOM 1096 C GLY A 69 -7.068 -14.305 -4.313 1.00 0.00 C ATOM 1097 O GLY A 69 -6.835 -15.461 -3.961 1.00 0.00 O ATOM 0 H GLY A 69 -8.770 -15.370 -6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.194 -13.816 -6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.489 -13.140 -5.442 1.00 0.00 H new ATOM 1101 N LYS A 70 -6.666 -13.226 -3.658 1.00 0.00 N ATOM 1102 CA LYS A 70 -5.892 -13.338 -2.433 1.00 0.00 C ATOM 1103 C LYS A 70 -5.785 -11.961 -1.775 1.00 0.00 C ATOM 1104 O LYS A 70 -4.776 -11.648 -1.144 1.00 0.00 O ATOM 1105 CB LYS A 70 -4.538 -13.993 -2.713 1.00 0.00 C ATOM 1106 CG LYS A 70 -3.938 -14.580 -1.434 1.00 0.00 C ATOM 1107 CD LYS A 70 -2.692 -13.802 -1.006 1.00 0.00 C ATOM 1108 CE LYS A 70 -1.784 -14.662 -0.124 1.00 0.00 C ATOM 1109 NZ LYS A 70 -0.714 -13.837 0.479 1.00 0.00 N ATOM 0 H LYS A 70 -6.862 -12.269 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.396 -13.993 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.658 -14.780 -3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.854 -13.257 -3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.679 -14.555 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.680 -15.627 -1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.143 -13.474 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.988 -12.904 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.373 -15.135 0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.343 -15.463 -0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.199 -14.326 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.669 -12.918 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.919 -13.686 1.487 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.838 -11.176 -1.945 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.875 -9.840 -1.375 1.00 0.00 C ATOM 1125 C PHE A 71 -5.597 -9.067 -1.706 1.00 0.00 C ATOM 1126 O PHE A 71 -4.872 -8.644 -0.807 1.00 0.00 O ATOM 1127 CB PHE A 71 -6.979 -10.003 0.143 1.00 0.00 C ATOM 1128 CG PHE A 71 -7.992 -11.060 0.587 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.129 -11.257 -0.133 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.756 -11.802 1.701 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.070 -12.237 0.279 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.697 -12.783 2.114 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.834 -12.980 1.394 1.00 0.00 C ATOM 0 H PHE A 71 -7.672 -11.439 -2.469 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.720 -9.285 -1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.998 -10.266 0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.253 -9.044 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.316 -10.668 -1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.853 -11.646 2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.973 -12.393 -0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.510 -13.372 2.999 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.549 -13.726 1.707 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.360 -8.905 -3.000 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.182 -8.190 -3.461 1.00 0.00 C ATOM 1145 C VAL A 72 -4.613 -7.039 -4.372 1.00 0.00 C ATOM 1146 O VAL A 72 -5.369 -7.243 -5.321 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.214 -9.160 -4.142 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.876 -8.481 -4.440 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -3.014 -10.419 -3.295 1.00 0.00 C ATOM 0 H VAL A 72 -5.964 -9.257 -3.743 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.646 -7.754 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.655 -9.462 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.207 -9.192 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.039 -7.629 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.427 -8.137 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.322 -11.092 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.606 -10.142 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.972 -10.920 -3.157 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.114 -5.854 -4.052 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.438 -4.671 -4.830 1.00 0.00 C ATOM 1161 C PHE A 73 -3.230 -3.739 -4.941 1.00 0.00 C ATOM 1162 O PHE A 73 -2.528 -3.507 -3.957 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.562 -3.943 -4.089 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.092 -3.157 -2.864 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.705 -3.817 -1.739 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -5.061 -1.798 -2.898 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.270 -3.088 -0.602 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.625 -1.068 -1.760 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.239 -1.729 -0.636 1.00 0.00 C ATOM 0 H PHE A 73 -3.488 -5.688 -3.264 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.734 -4.959 -5.839 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.055 -3.259 -4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.309 -4.673 -3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.729 -4.896 -1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.368 -1.273 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.963 -3.613 0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.600 0.011 -1.787 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.908 -1.175 0.230 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.023 -3.231 -6.147 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.911 -2.330 -6.399 1.00 0.00 C ATOM 1181 C GLU A 74 -2.426 -0.914 -6.666 1.00 0.00 C ATOM 1182 O GLU A 74 -3.427 -0.733 -7.357 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.053 -2.830 -7.563 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.454 -2.147 -8.872 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.979 -2.957 -10.080 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -0.705 -4.160 -9.885 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -0.900 -2.353 -11.172 1.00 0.00 O ATOM 0 H GLU A 74 -3.607 -3.426 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.280 -2.305 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.001 -2.635 -7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.163 -3.910 -7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.537 -2.032 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.026 -1.145 -8.910 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.717 0.054 -6.103 1.00 0.00 N ATOM 1195 CA ILE A 75 -2.090 1.449 -6.271 1.00 0.00 C ATOM 1196 C ILE A 75 -1.218 2.077 -7.361 1.00 0.00 C ATOM 1197 O ILE A 75 0.000 2.159 -7.216 1.00 0.00 O ATOM 1198 CB ILE A 75 -2.026 2.186 -4.932 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.742 1.394 -3.836 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.573 3.608 -5.063 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -2.396 1.941 -2.450 1.00 0.00 C ATOM 0 H ILE A 75 -0.887 -0.100 -5.531 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.125 1.530 -6.603 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.980 2.270 -4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.820 1.443 -3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.459 0.343 -3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.516 4.110 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.982 4.159 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.612 3.569 -5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.918 1.361 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.321 1.868 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.703 2.985 -2.384 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.878 2.504 -8.428 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.178 3.122 -9.542 1.00 0.00 C ATOM 1215 C ILE A 76 -1.257 4.644 -9.406 1.00 0.00 C ATOM 1216 O ILE A 76 -2.347 5.209 -9.334 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.719 2.594 -10.873 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.393 1.110 -11.047 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -1.207 3.435 -12.044 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.663 0.297 -11.308 1.00 0.00 C ATOM 0 H ILE A 76 -2.889 2.434 -8.545 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.122 2.854 -9.525 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.805 2.685 -10.861 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.698 0.981 -11.877 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.895 0.736 -10.153 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.606 3.039 -12.978 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.532 4.468 -11.920 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.118 3.398 -12.070 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.403 -0.755 -11.428 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.346 0.408 -10.466 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.146 0.658 -12.216 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.055 5.280 -9.375 1.00 0.00 N ATOM 1233 CA PRO A 77 0.023 6.726 -9.249 1.00 0.00 C ATOM 1234 C PRO A 77 -0.346 7.411 -10.566 1.00 0.00 C ATOM 1235 O PRO A 77 -0.494 6.751 -11.594 1.00 0.00 O ATOM 1236 CB PRO A 77 1.451 7.006 -8.813 1.00 0.00 C ATOM 1237 CG PRO A 77 2.246 5.757 -9.159 1.00 0.00 C ATOM 1238 CD PRO A 77 1.256 4.643 -9.458 1.00 0.00 C ATOM 0 HA PRO A 77 -0.686 7.124 -8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.852 7.879 -9.328 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.499 7.216 -7.744 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.887 5.939 -10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.897 5.477 -8.331 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.427 4.216 -10.446 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.347 3.829 -8.739 1.00 0.00 H new ATOM 1246 N ALA A 78 -0.482 8.727 -10.494 1.00 0.00 N ATOM 1247 CA ALA A 78 -0.830 9.510 -11.668 1.00 0.00 C ATOM 1248 C ALA A 78 0.365 9.548 -12.622 1.00 0.00 C ATOM 1249 O ALA A 78 1.479 9.190 -12.243 1.00 0.00 O ATOM 1250 CB ALA A 78 -1.276 10.908 -11.236 1.00 0.00 C ATOM 0 H ALA A 78 -0.357 9.271 -9.640 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.663 9.053 -12.201 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.537 11.495 -12.117 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.145 10.827 -10.583 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.464 11.399 -10.700 1.00 0.00 H new ATOM 1256 N SER A 79 0.093 9.985 -13.843 1.00 0.00 N ATOM 1257 CA SER A 79 1.132 10.075 -14.855 1.00 0.00 C ATOM 1258 C SER A 79 1.902 8.755 -14.932 1.00 0.00 C ATOM 1259 O SER A 79 2.926 8.590 -14.272 1.00 0.00 O ATOM 1260 CB SER A 79 2.089 11.231 -14.560 1.00 0.00 C ATOM 1261 OG SER A 79 1.393 12.449 -14.308 1.00 0.00 O ATOM 0 H SER A 79 -0.832 10.281 -14.154 1.00 0.00 H new ATOM 0 HA SER A 79 0.657 10.269 -15.817 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.705 10.980 -13.697 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.764 11.367 -15.405 1.00 0.00 H new ATOM 0 HG SER A 79 2.039 13.162 -14.122 1.00 0.00 H new ATOM 1267 N TRP A 80 1.379 7.849 -15.745 1.00 0.00 N ATOM 1268 CA TRP A 80 2.005 6.549 -15.918 1.00 0.00 C ATOM 1269 C TRP A 80 1.102 5.706 -16.821 1.00 0.00 C ATOM 1270 O TRP A 80 0.468 4.758 -16.360 1.00 0.00 O ATOM 1271 CB TRP A 80 2.280 5.889 -14.565 1.00 0.00 C ATOM 1272 CG TRP A 80 3.704 5.349 -14.415 1.00 0.00 C ATOM 1273 CD1 TRP A 80 4.297 4.378 -15.123 1.00 0.00 C ATOM 1274 CD2 TRP A 80 4.695 5.791 -13.464 1.00 0.00 C ATOM 1275 NE1 TRP A 80 5.593 4.163 -14.700 1.00 0.00 N ATOM 1276 CE2 TRP A 80 5.843 5.049 -13.659 1.00 0.00 C ATOM 1277 CE3 TRP A 80 4.625 6.785 -12.472 1.00 0.00 C ATOM 1278 CZ2 TRP A 80 7.006 5.223 -12.900 1.00 0.00 C ATOM 1279 CZ3 TRP A 80 5.796 6.946 -11.722 1.00 0.00 C ATOM 1280 CH2 TRP A 80 6.959 6.208 -11.906 1.00 0.00 C ATOM 0 H TRP A 80 0.529 7.989 -16.291 1.00 0.00 H new ATOM 0 HA TRP A 80 2.979 6.650 -16.396 1.00 0.00 H new ATOM 0 HB2 TRP A 80 2.092 6.614 -13.773 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.575 5.070 -14.421 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.821 3.832 -15.924 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.247 3.479 -15.081 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.738 7.377 -12.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.892 4.630 -13.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 5.796 7.697 -10.946 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.823 6.393 -11.285 1.00 0.00 H new ATOM 1291 N ASP A 81 1.073 6.082 -18.091 1.00 0.00 N ATOM 1292 CA ASP A 81 0.259 5.372 -19.063 1.00 0.00 C ATOM 1293 C ASP A 81 1.078 5.136 -20.334 1.00 0.00 C ATOM 1294 O ASP A 81 1.199 6.027 -21.173 1.00 0.00 O ATOM 1295 CB ASP A 81 -0.979 6.186 -19.444 1.00 0.00 C ATOM 1296 CG ASP A 81 -2.193 5.357 -19.867 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -2.164 4.848 -21.008 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -3.124 5.251 -19.039 1.00 0.00 O ATOM 0 H ASP A 81 1.600 6.869 -18.469 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.053 4.428 -18.616 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.261 6.809 -18.595 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.716 6.859 -20.260 1.00 0.00 H new ATOM 1303 N GLN A 82 1.621 3.932 -20.434 1.00 0.00 N ATOM 1304 CA GLN A 82 2.425 3.568 -21.588 1.00 0.00 C ATOM 1305 C GLN A 82 3.071 2.197 -21.374 1.00 0.00 C ATOM 1306 O GLN A 82 3.825 2.004 -20.420 1.00 0.00 O ATOM 1307 CB GLN A 82 3.484 4.634 -21.877 1.00 0.00 C ATOM 1308 CG GLN A 82 3.373 5.141 -23.316 1.00 0.00 C ATOM 1309 CD GLN A 82 4.112 6.470 -23.487 1.00 0.00 C ATOM 1310 OE1 GLN A 82 4.539 7.100 -22.533 1.00 0.00 O ATOM 1311 NE2 GLN A 82 4.238 6.860 -24.752 1.00 0.00 N ATOM 0 H GLN A 82 1.520 3.196 -19.735 1.00 0.00 H new ATOM 0 HA GLN A 82 1.771 3.508 -22.458 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.365 5.467 -21.184 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.478 4.219 -21.709 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.787 4.400 -24.000 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.323 5.268 -23.581 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.857 6.285 -25.503 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.716 7.734 -24.971 1.00 0.00 H new ATOM 1320 N ASN A 83 2.753 1.281 -22.276 1.00 0.00 N ATOM 1321 CA ASN A 83 3.293 -0.066 -22.198 1.00 0.00 C ATOM 1322 C ASN A 83 4.587 -0.140 -23.010 1.00 0.00 C ATOM 1323 O ASN A 83 4.576 -0.569 -24.163 1.00 0.00 O ATOM 1324 CB ASN A 83 2.312 -1.087 -22.776 1.00 0.00 C ATOM 1325 CG ASN A 83 1.666 -1.917 -21.665 1.00 0.00 C ATOM 1326 OD1 ASN A 83 2.295 -2.746 -21.028 1.00 0.00 O ATOM 1327 ND2 ASN A 83 0.378 -1.649 -21.469 1.00 0.00 N ATOM 0 H ASN A 83 2.128 1.445 -23.065 1.00 0.00 H new ATOM 0 HA ASN A 83 3.475 -0.296 -21.148 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.539 -0.572 -23.346 1.00 0.00 H new ATOM 0 HB3 ASN A 83 2.834 -1.746 -23.470 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.143 -2.150 -20.750 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.088 -0.942 -22.038 1.00 0.00 H new ATOM 1334 N ARG A 84 5.671 0.284 -22.378 1.00 0.00 N ATOM 1335 CA ARG A 84 6.971 0.271 -23.028 1.00 0.00 C ATOM 1336 C ARG A 84 8.028 0.894 -22.114 1.00 0.00 C ATOM 1337 O ARG A 84 8.180 2.114 -22.077 1.00 0.00 O ATOM 1338 CB ARG A 84 6.932 1.039 -24.350 1.00 0.00 C ATOM 1339 CG ARG A 84 8.321 1.098 -24.991 1.00 0.00 C ATOM 1340 CD ARG A 84 8.761 -0.286 -25.473 1.00 0.00 C ATOM 1341 NE ARG A 84 9.726 -0.150 -26.587 1.00 0.00 N ATOM 1342 CZ ARG A 84 10.169 -1.176 -27.326 1.00 0.00 C ATOM 1343 NH1 ARG A 84 9.738 -2.419 -27.074 1.00 0.00 N ATOM 1344 NH2 ARG A 84 11.045 -0.959 -28.317 1.00 0.00 N ATOM 0 H ARG A 84 5.676 0.639 -21.422 1.00 0.00 H new ATOM 0 HA ARG A 84 7.230 -0.768 -23.232 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.232 0.558 -25.034 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.564 2.050 -24.177 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.309 1.793 -25.831 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.042 1.482 -24.270 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.217 -0.839 -24.651 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.894 -0.859 -25.800 1.00 0.00 H new ATOM 0 HE ARG A 84 10.076 0.783 -26.806 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.072 -2.585 -26.319 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.076 -3.200 -27.637 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.374 -0.013 -28.508 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.382 -1.740 -28.880 1.00 0.00 H new ATOM 1358 N MET A 85 8.731 0.028 -21.399 1.00 0.00 N ATOM 1359 CA MET A 85 9.769 0.478 -20.488 1.00 0.00 C ATOM 1360 C MET A 85 9.180 1.332 -19.363 1.00 0.00 C ATOM 1361 O MET A 85 9.139 2.557 -19.465 1.00 0.00 O ATOM 1362 CB MET A 85 10.807 1.296 -21.260 1.00 0.00 C ATOM 1363 CG MET A 85 11.430 0.469 -22.386 1.00 0.00 C ATOM 1364 SD MET A 85 12.848 1.321 -23.056 1.00 0.00 S ATOM 1365 CE MET A 85 14.130 0.665 -22.000 1.00 0.00 C ATOM 0 H MET A 85 8.602 -0.983 -21.432 1.00 0.00 H new ATOM 0 HA MET A 85 10.241 -0.399 -20.044 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.337 2.187 -21.676 1.00 0.00 H new ATOM 0 HB3 MET A 85 11.587 1.636 -20.579 1.00 0.00 H new ATOM 0 HG2 MET A 85 11.728 -0.509 -22.008 1.00 0.00 H new ATOM 0 HG3 MET A 85 10.694 0.296 -23.172 1.00 0.00 H new ATOM 0 HE1 MET A 85 15.090 1.096 -22.283 1.00 0.00 H new ATOM 0 HE2 MET A 85 13.911 0.917 -20.962 1.00 0.00 H new ATOM 0 HE3 MET A 85 14.172 -0.419 -22.109 1.00 0.00 H new ATOM 1375 N GLY A 86 8.738 0.650 -18.317 1.00 0.00 N ATOM 1376 CA GLY A 86 8.152 1.331 -17.174 1.00 0.00 C ATOM 1377 C GLY A 86 7.109 0.448 -16.486 1.00 0.00 C ATOM 1378 O GLY A 86 7.398 -0.691 -16.121 1.00 0.00 O ATOM 0 H GLY A 86 8.774 -0.366 -18.236 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.935 1.596 -16.464 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.688 2.262 -17.499 1.00 0.00 H new ATOM 1382 N GLN A 87 5.918 1.007 -16.329 1.00 0.00 N ATOM 1383 CA GLN A 87 4.830 0.284 -15.691 1.00 0.00 C ATOM 1384 C GLN A 87 5.145 0.049 -14.213 1.00 0.00 C ATOM 1385 O GLN A 87 5.625 -1.021 -13.839 1.00 0.00 O ATOM 1386 CB GLN A 87 4.554 -1.037 -16.411 1.00 0.00 C ATOM 1387 CG GLN A 87 3.201 -1.000 -17.125 1.00 0.00 C ATOM 1388 CD GLN A 87 2.103 -1.610 -16.252 1.00 0.00 C ATOM 1389 OE1 GLN A 87 2.050 -1.414 -15.049 1.00 0.00 O ATOM 1390 NE2 GLN A 87 1.231 -2.358 -16.923 1.00 0.00 N ATOM 0 H GLN A 87 5.682 1.952 -16.632 1.00 0.00 H new ATOM 0 HA GLN A 87 3.927 0.891 -15.757 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.346 -1.233 -17.134 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.568 -1.857 -15.693 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.944 0.030 -17.372 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.267 -1.546 -18.066 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.333 -2.481 -17.930 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.460 -2.808 -16.430 1.00 0.00 H new ATOM 1399 N ASP A 88 4.863 1.065 -13.411 1.00 0.00 N ATOM 1400 CA ASP A 88 5.110 0.982 -11.982 1.00 0.00 C ATOM 1401 C ASP A 88 3.794 1.185 -11.228 1.00 0.00 C ATOM 1402 O ASP A 88 2.807 1.640 -11.806 1.00 0.00 O ATOM 1403 CB ASP A 88 6.087 2.068 -11.527 1.00 0.00 C ATOM 1404 CG ASP A 88 6.737 1.824 -10.164 1.00 0.00 C ATOM 1405 OD1 ASP A 88 7.042 0.644 -9.884 1.00 0.00 O ATOM 1406 OD2 ASP A 88 6.914 2.822 -9.433 1.00 0.00 O ATOM 0 H ASP A 88 4.465 1.951 -13.724 1.00 0.00 H new ATOM 0 HA ASP A 88 5.537 0.001 -11.771 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.873 2.165 -12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.558 3.021 -11.495 1.00 0.00 H new ATOM 1411 N SER A 89 3.821 0.837 -9.950 1.00 0.00 N ATOM 1412 CA SER A 89 2.642 0.976 -9.112 1.00 0.00 C ATOM 1413 C SER A 89 2.951 0.498 -7.691 1.00 0.00 C ATOM 1414 O SER A 89 4.022 -0.049 -7.436 1.00 0.00 O ATOM 1415 CB SER A 89 1.460 0.194 -9.690 1.00 0.00 C ATOM 1416 OG SER A 89 1.826 -1.134 -10.055 1.00 0.00 O ATOM 0 H SER A 89 4.640 0.459 -9.474 1.00 0.00 H new ATOM 0 HA SER A 89 2.366 2.030 -9.082 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.655 0.159 -8.956 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.072 0.717 -10.564 1.00 0.00 H new ATOM 0 HG SER A 89 1.180 -1.485 -10.703 1.00 0.00 H new ATOM 1422 N TYR A 90 1.993 0.722 -6.804 1.00 0.00 N ATOM 1423 CA TYR A 90 2.149 0.321 -5.417 1.00 0.00 C ATOM 1424 C TYR A 90 1.391 -0.977 -5.132 1.00 0.00 C ATOM 1425 O TYR A 90 0.212 -0.948 -4.785 1.00 0.00 O ATOM 1426 CB TYR A 90 1.538 1.448 -4.581 1.00 0.00 C ATOM 1427 CG TYR A 90 2.559 2.236 -3.757 1.00 0.00 C ATOM 1428 CD1 TYR A 90 3.784 2.560 -4.303 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.254 2.621 -2.467 1.00 0.00 C ATOM 1430 CE1 TYR A 90 4.744 3.301 -3.528 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.215 3.363 -1.692 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.412 3.666 -2.260 1.00 0.00 C ATOM 1433 OH TYR A 90 5.320 4.366 -1.528 1.00 0.00 O ATOM 0 H TYR A 90 1.106 1.176 -7.019 1.00 0.00 H new ATOM 0 HA TYR A 90 3.200 0.149 -5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.014 2.136 -5.245 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.793 1.024 -3.908 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.022 2.258 -5.312 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.296 2.366 -2.039 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.706 3.561 -3.944 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.989 3.672 -0.682 1.00 0.00 H new ATOM 0 HH TYR A 90 5.401 3.965 -0.637 1.00 0.00 H new ATOM 1443 N VAL A 91 2.100 -2.085 -5.291 1.00 0.00 N ATOM 1444 CA VAL A 91 1.509 -3.391 -5.055 1.00 0.00 C ATOM 1445 C VAL A 91 1.379 -3.624 -3.549 1.00 0.00 C ATOM 1446 O VAL A 91 2.357 -3.957 -2.881 1.00 0.00 O ATOM 1447 CB VAL A 91 2.333 -4.473 -5.758 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.830 -5.870 -5.390 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.326 -4.269 -7.274 1.00 0.00 C ATOM 0 H VAL A 91 3.078 -2.105 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 91 0.506 -3.438 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 91 3.364 -4.387 -5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.432 -6.620 -5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.911 -6.014 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.788 -5.973 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.919 -5.051 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.301 -4.316 -7.643 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.753 -3.295 -7.512 1.00 0.00 H new ATOM 1459 N LEU A 92 0.163 -3.438 -3.057 1.00 0.00 N ATOM 1460 CA LEU A 92 -0.108 -3.623 -1.641 1.00 0.00 C ATOM 1461 C LEU A 92 -0.979 -4.867 -1.451 1.00 0.00 C ATOM 1462 O LEU A 92 -1.948 -5.068 -2.182 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.712 -2.352 -1.040 1.00 0.00 C ATOM 1464 CG LEU A 92 -0.003 -1.042 -1.390 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.543 0.115 -0.548 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.515 -1.188 -1.257 1.00 0.00 C ATOM 0 H LEU A 92 -0.646 -3.161 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 92 0.820 -3.796 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.750 -2.278 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.724 -2.457 0.045 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.214 -0.807 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.022 1.034 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.610 0.234 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.382 -0.098 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.995 -0.243 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.766 -1.458 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.866 -1.967 -1.934 1.00 0.00 H new ATOM 1478 N MET A 93 -0.602 -5.669 -0.466 1.00 0.00 N ATOM 1479 CA MET A 93 -1.336 -6.887 -0.171 1.00 0.00 C ATOM 1480 C MET A 93 -1.752 -6.934 1.301 1.00 0.00 C ATOM 1481 O MET A 93 -0.928 -6.723 2.190 1.00 0.00 O ATOM 1482 CB MET A 93 -0.462 -8.101 -0.493 1.00 0.00 C ATOM 1483 CG MET A 93 -1.190 -9.405 -0.160 1.00 0.00 C ATOM 1484 SD MET A 93 -0.491 -10.751 -1.100 1.00 0.00 S ATOM 1485 CE MET A 93 1.202 -10.675 -0.539 1.00 0.00 C ATOM 0 H MET A 93 0.202 -5.499 0.138 1.00 0.00 H new ATOM 0 HA MET A 93 -2.237 -6.903 -0.785 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.193 -8.090 -1.549 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.468 -8.045 0.073 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.109 -9.615 0.907 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.252 -9.306 -0.385 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.825 -11.302 -1.177 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.555 -9.645 -0.586 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.261 -11.032 0.489 1.00 0.00 H new ATOM 1495 N ALA A 94 -3.031 -7.210 1.513 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.566 -7.287 2.861 1.00 0.00 C ATOM 1497 C ALA A 94 -3.671 -8.754 3.281 1.00 0.00 C ATOM 1498 O ALA A 94 -3.716 -9.645 2.433 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.915 -6.567 2.916 1.00 0.00 C ATOM 0 H ALA A 94 -3.712 -7.383 0.773 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.901 -6.789 3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.317 -6.624 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.781 -5.522 2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.609 -7.041 2.222 1.00 0.00 H new ATOM 1505 N SER A 95 -3.706 -8.961 4.589 1.00 0.00 N ATOM 1506 CA SER A 95 -3.805 -10.306 5.132 1.00 0.00 C ATOM 1507 C SER A 95 -5.216 -10.856 4.914 1.00 0.00 C ATOM 1508 O SER A 95 -5.387 -11.912 4.307 1.00 0.00 O ATOM 1509 CB SER A 95 -3.451 -10.326 6.620 1.00 0.00 C ATOM 1510 OG SER A 95 -2.328 -11.161 6.890 1.00 0.00 O ATOM 0 H SER A 95 -3.668 -8.220 5.289 1.00 0.00 H new ATOM 0 HA SER A 95 -3.090 -10.940 4.608 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.237 -9.311 6.956 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.310 -10.677 7.192 1.00 0.00 H new ATOM 0 HG SER A 95 -2.132 -11.146 7.850 1.00 0.00 H new ATOM 1516 N SER A 96 -6.190 -10.115 5.422 1.00 0.00 N ATOM 1517 CA SER A 96 -7.581 -10.515 5.290 1.00 0.00 C ATOM 1518 C SER A 96 -8.268 -9.674 4.213 1.00 0.00 C ATOM 1519 O SER A 96 -7.613 -8.913 3.503 1.00 0.00 O ATOM 1520 CB SER A 96 -8.321 -10.380 6.623 1.00 0.00 C ATOM 1521 OG SER A 96 -8.320 -9.037 7.100 1.00 0.00 O ATOM 0 H SER A 96 -6.044 -9.240 5.926 1.00 0.00 H new ATOM 0 HA SER A 96 -7.609 -11.564 4.994 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.349 -10.722 6.503 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.854 -11.028 7.364 1.00 0.00 H new ATOM 0 HG SER A 96 -8.803 -8.992 7.951 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.580 -9.839 4.126 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.363 -9.104 3.148 1.00 0.00 C ATOM 1529 C GLN A 97 -10.948 -7.838 3.778 1.00 0.00 C ATOM 1530 O GLN A 97 -11.046 -6.802 3.122 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.468 -9.983 2.557 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.282 -9.214 1.515 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.022 -10.174 0.581 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.214 -11.342 0.874 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -13.426 -9.617 -0.558 1.00 0.00 N ATOM 0 H GLN A 97 -10.120 -10.471 4.717 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.703 -8.809 2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.027 -10.868 2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.126 -10.331 3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.999 -8.563 2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.621 -8.572 0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.232 -8.632 -0.741 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.929 -10.175 -1.248 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.321 -7.964 5.043 1.00 0.00 N ATOM 1545 CA ALA A 98 -11.893 -6.843 5.769 1.00 0.00 C ATOM 1546 C ALA A 98 -10.856 -5.723 5.870 1.00 0.00 C ATOM 1547 O ALA A 98 -11.211 -4.549 5.962 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.376 -7.317 7.142 1.00 0.00 C ATOM 0 H ALA A 98 -11.238 -8.825 5.584 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.758 -6.444 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.805 -6.476 7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.133 -8.091 7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.534 -7.722 7.704 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.593 -6.126 5.850 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.502 -5.171 5.938 1.00 0.00 C ATOM 1556 C GLU A 99 -8.281 -4.491 4.586 1.00 0.00 C ATOM 1557 O GLU A 99 -8.073 -3.281 4.522 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.220 -5.848 6.428 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.224 -4.815 6.961 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.731 -5.199 8.357 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -6.500 -4.966 9.315 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -4.596 -5.717 8.436 1.00 0.00 O ATOM 0 H GLU A 99 -9.302 -7.101 5.774 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.772 -4.406 6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.460 -6.565 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.766 -6.409 5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.376 -4.737 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.696 -3.833 6.995 1.00 0.00 H new ATOM 1569 N MET A 100 -8.333 -5.300 3.537 1.00 0.00 N ATOM 1570 CA MET A 100 -8.141 -4.791 2.190 1.00 0.00 C ATOM 1571 C MET A 100 -9.331 -3.935 1.752 1.00 0.00 C ATOM 1572 O MET A 100 -9.168 -2.979 0.996 1.00 0.00 O ATOM 1573 CB MET A 100 -7.971 -5.963 1.221 1.00 0.00 C ATOM 1574 CG MET A 100 -7.651 -5.466 -0.190 1.00 0.00 C ATOM 1575 SD MET A 100 -8.097 -6.709 -1.391 1.00 0.00 S ATOM 1576 CE MET A 100 -9.866 -6.750 -1.152 1.00 0.00 C ATOM 0 H MET A 100 -8.505 -6.304 3.593 1.00 0.00 H new ATOM 0 HA MET A 100 -7.247 -4.168 2.181 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.171 -6.615 1.571 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.883 -6.559 1.202 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.194 -4.543 -0.391 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.589 -5.235 -0.271 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.365 -6.717 -2.121 1.00 0.00 H new ATOM 0 HE2 MET A 100 -10.142 -7.668 -0.633 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.173 -5.890 -0.556 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.502 -4.310 2.246 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.719 -3.588 1.915 1.00 0.00 C ATOM 1588 C GLU A 101 -11.703 -2.198 2.554 1.00 0.00 C ATOM 1589 O GLU A 101 -12.035 -1.208 1.904 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.958 -4.375 2.348 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.656 -5.006 1.141 1.00 0.00 C ATOM 1592 CD GLU A 101 -14.007 -3.945 0.095 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.322 -2.812 0.519 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.952 -4.292 -1.105 1.00 0.00 O ATOM 0 H GLU A 101 -10.634 -5.104 2.873 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.764 -3.468 0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.670 -5.154 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.650 -3.713 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.008 -5.761 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.563 -5.516 1.466 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.312 -2.168 3.820 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.247 -0.916 4.553 1.00 0.00 C ATOM 1603 C GLU A 102 -10.251 0.038 3.890 1.00 0.00 C ATOM 1604 O GLU A 102 -10.558 1.209 3.673 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.881 -1.157 6.019 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.041 0.123 6.842 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.485 0.291 7.319 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -12.782 -0.217 8.422 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -13.260 0.924 6.570 1.00 0.00 O ATOM 0 H GLU A 102 -11.037 -2.991 4.356 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.234 -0.454 4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.516 -1.941 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.852 -1.511 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.371 0.093 7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.750 0.985 6.241 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.079 -0.500 3.585 1.00 0.00 N ATOM 1617 CA TRP A 103 -8.037 0.289 2.950 1.00 0.00 C ATOM 1618 C TRP A 103 -8.592 0.833 1.633 1.00 0.00 C ATOM 1619 O TRP A 103 -8.795 2.038 1.491 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.761 -0.536 2.766 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.785 -0.443 3.940 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.404 -1.419 4.776 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.077 0.736 4.378 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.506 -0.958 5.716 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.300 0.394 5.467 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -5.091 2.047 3.871 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.481 1.307 6.141 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.267 2.948 4.556 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.479 2.620 5.653 1.00 0.00 C ATOM 0 H TRP A 103 -8.828 -1.472 3.766 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.751 1.131 3.581 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -7.034 -1.580 2.616 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.255 -0.206 1.859 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.756 -2.439 4.721 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.073 -1.508 6.458 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.690 2.336 3.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.883 1.015 6.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.242 3.970 4.207 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.868 3.374 6.127 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.823 -0.081 0.702 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.351 0.293 -0.600 1.00 0.00 C ATOM 1642 C VAL A 104 -10.467 1.324 -0.415 1.00 0.00 C ATOM 1643 O VAL A 104 -10.458 2.374 -1.055 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.809 -0.955 -1.357 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.560 -0.576 -2.635 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.625 -1.872 -1.668 1.00 0.00 C ATOM 0 H VAL A 104 -8.654 -1.080 0.823 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.575 0.759 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.498 -1.503 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.875 -1.481 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.437 0.019 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.904 0.005 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.978 -2.752 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.902 -1.336 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.151 -2.182 -0.737 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.401 0.987 0.462 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.521 1.870 0.738 1.00 0.00 C ATOM 1658 C LYS A 105 -12.005 3.296 0.935 1.00 0.00 C ATOM 1659 O LYS A 105 -12.323 4.189 0.151 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.340 1.343 1.919 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.560 2.229 2.179 1.00 0.00 C ATOM 1662 CD LYS A 105 -14.252 3.289 3.239 1.00 0.00 C ATOM 1663 CE LYS A 105 -14.973 2.976 4.552 1.00 0.00 C ATOM 1664 NZ LYS A 105 -15.892 4.079 4.913 1.00 0.00 N ATOM 0 H LYS A 105 -11.405 0.115 0.991 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.205 1.893 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.664 0.323 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.716 1.307 2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.866 2.714 1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.397 1.614 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.177 3.334 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.558 4.270 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.532 2.046 4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.243 2.827 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.374 3.851 5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.350 4.959 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.599 4.202 4.160 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.216 3.466 1.986 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.652 4.769 2.296 1.00 0.00 C ATOM 1680 C PHE A 106 -9.887 5.334 1.098 1.00 0.00 C ATOM 1681 O PHE A 106 -10.156 6.449 0.655 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.679 4.570 3.460 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.338 4.632 4.839 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -11.021 5.746 5.217 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.241 3.574 5.688 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.632 5.804 6.497 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -10.852 3.632 6.968 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.535 4.746 7.346 1.00 0.00 C ATOM 0 H PHE A 106 -10.954 2.723 2.634 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.449 5.469 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.186 3.604 3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.902 5.333 3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -11.098 6.586 4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.699 2.689 5.388 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -12.174 6.689 6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -10.775 2.792 7.642 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.000 4.790 8.320 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.948 4.538 0.607 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.142 4.945 -0.531 1.00 0.00 C ATOM 1700 C LEU A 107 -9.061 5.423 -1.657 1.00 0.00 C ATOM 1701 O LEU A 107 -9.097 6.612 -1.971 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.195 3.818 -0.947 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.133 3.420 0.080 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.738 1.951 -0.080 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.921 4.350 0.003 1.00 0.00 C ATOM 0 H LEU A 107 -8.728 3.613 0.977 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.502 5.786 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.792 2.937 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.690 4.116 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.563 3.531 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.982 1.695 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.616 1.321 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.335 1.790 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.181 4.045 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.482 4.294 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.235 5.374 0.204 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.782 4.473 -2.233 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.699 4.782 -3.317 1.00 0.00 C ATOM 1719 C ARG A 108 -11.582 5.974 -2.941 1.00 0.00 C ATOM 1720 O ARG A 108 -11.802 6.869 -3.756 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.588 3.582 -3.646 1.00 0.00 C ATOM 1722 CG ARG A 108 -10.981 2.742 -4.771 1.00 0.00 C ATOM 1723 CD ARG A 108 -12.030 1.817 -5.392 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.378 0.858 -6.312 1.00 0.00 N ATOM 1725 CZ ARG A 108 -11.981 -0.227 -6.816 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -13.252 -0.499 -6.493 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -11.311 -1.041 -7.644 1.00 0.00 N ATOM 0 H ARG A 108 -9.750 3.488 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.103 5.029 -4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.717 2.966 -2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.579 3.929 -3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.570 3.398 -5.538 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.153 2.149 -4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.561 1.278 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.771 2.405 -5.932 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.409 1.034 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.762 0.120 -5.863 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.710 -1.325 -6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.343 -0.834 -7.890 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -11.769 -1.867 -8.028 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.063 5.948 -1.707 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.917 7.015 -1.214 1.00 0.00 C ATOM 1743 C ARG A 109 -12.231 8.370 -1.396 1.00 0.00 C ATOM 1744 O ARG A 109 -12.781 9.268 -2.033 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.251 6.814 0.265 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.079 7.982 0.804 1.00 0.00 C ATOM 1747 CD ARG A 109 -14.603 7.681 2.210 1.00 0.00 C ATOM 1748 NE ARG A 109 -16.080 7.597 2.192 1.00 0.00 N ATOM 1749 CZ ARG A 109 -16.841 7.501 3.291 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -16.268 7.476 4.502 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -18.174 7.430 3.179 1.00 0.00 N ATOM 0 H ARG A 109 -11.878 5.205 -1.034 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.842 6.992 -1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.803 5.883 0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.330 6.721 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.469 8.885 0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.916 8.178 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.182 6.743 2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.283 8.461 2.901 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.549 7.613 1.286 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.253 7.530 4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -16.847 7.403 5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.610 7.449 2.257 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -18.753 7.357 4.016 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.040 8.476 -0.825 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.273 9.707 -0.916 1.00 0.00 C ATOM 1767 C VAL A 110 -9.910 9.969 -2.379 1.00 0.00 C ATOM 1768 O VAL A 110 -10.150 11.060 -2.896 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.050 9.630 -0.001 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.044 10.734 -0.335 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.462 9.692 1.472 1.00 0.00 C ATOM 0 H VAL A 110 -10.587 7.729 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.867 10.554 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.564 8.670 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.184 10.656 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.714 10.625 -1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.516 11.708 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.574 9.635 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.984 10.629 1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.122 8.855 1.701 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.338 8.952 -3.005 1.00 0.00 N ATOM 1782 CA ALA A 111 -8.939 9.059 -4.398 1.00 0.00 C ATOM 1783 C ALA A 111 -10.126 9.552 -5.227 1.00 0.00 C ATOM 1784 O ALA A 111 -9.944 10.109 -6.309 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.410 7.707 -4.883 1.00 0.00 C ATOM 0 H ALA A 111 -9.141 8.049 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.133 9.784 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.111 7.787 -5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.550 7.415 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.192 6.954 -4.786 1.00 0.00 H new ATOM 1791 N GLY A 112 -11.316 9.329 -4.689 1.00 0.00 N ATOM 1792 CA GLY A 112 -12.533 9.743 -5.366 1.00 0.00 C ATOM 1793 C GLY A 112 -13.137 8.587 -6.166 1.00 0.00 C ATOM 1794 O GLY A 112 -12.674 8.277 -7.262 1.00 0.00 O ATOM 0 H GLY A 112 -11.463 8.867 -3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -13.257 10.100 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -12.316 10.577 -6.033 1.00 0.00 H new ATOM 1798 N SER A 113 -14.162 7.980 -5.586 1.00 0.00 N ATOM 1799 CA SER A 113 -14.834 6.865 -6.231 1.00 0.00 C ATOM 1800 C SER A 113 -16.338 6.933 -5.961 1.00 0.00 C ATOM 1801 O SER A 113 -16.768 6.901 -4.808 1.00 0.00 O ATOM 1802 CB SER A 113 -14.268 5.527 -5.749 1.00 0.00 C ATOM 1803 OG SER A 113 -14.481 4.485 -6.696 1.00 0.00 O ATOM 0 H SER A 113 -14.543 8.239 -4.676 1.00 0.00 H new ATOM 0 HA SER A 113 -14.661 6.936 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 113 -13.200 5.632 -5.560 1.00 0.00 H new ATOM 0 HB3 SER A 113 -14.734 5.257 -4.802 1.00 0.00 H new ATOM 0 HG SER A 113 -14.565 3.629 -6.227 1.00 0.00 H new ATOM 1809 N GLY A 114 -17.098 7.026 -7.042 1.00 0.00 N ATOM 1810 CA GLY A 114 -18.545 7.099 -6.936 1.00 0.00 C ATOM 1811 C GLY A 114 -19.174 5.709 -7.053 1.00 0.00 C ATOM 1812 O GLY A 114 -18.488 4.737 -7.366 1.00 0.00 O ATOM 0 H GLY A 114 -16.739 7.052 -7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -18.821 7.548 -5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -18.938 7.747 -7.719 1.00 0.00 H new ATOM 1816 N PRO A 115 -20.507 5.657 -6.787 1.00 0.00 N ATOM 1817 CA PRO A 115 -21.236 4.402 -6.859 1.00 0.00 C ATOM 1818 C PRO A 115 -21.475 3.989 -8.313 1.00 0.00 C ATOM 1819 O PRO A 115 -22.457 4.404 -8.926 1.00 0.00 O ATOM 1820 CB PRO A 115 -22.525 4.652 -6.093 1.00 0.00 C ATOM 1821 CG PRO A 115 -22.681 6.162 -6.020 1.00 0.00 C ATOM 1822 CD PRO A 115 -21.352 6.787 -6.412 1.00 0.00 C ATOM 0 HA PRO A 115 -20.684 3.569 -6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -23.375 4.196 -6.600 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -22.477 4.216 -5.095 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -23.473 6.497 -6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -22.965 6.468 -5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -21.472 7.484 -7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -20.919 7.348 -5.584 1.00 0.00 H new ATOM 1830 N SER A 116 -20.560 3.177 -8.822 1.00 0.00 N ATOM 1831 CA SER A 116 -20.659 2.703 -10.192 1.00 0.00 C ATOM 1832 C SER A 116 -19.866 1.405 -10.355 1.00 0.00 C ATOM 1833 O SER A 116 -18.769 1.271 -9.814 1.00 0.00 O ATOM 1834 CB SER A 116 -20.156 3.760 -11.177 1.00 0.00 C ATOM 1835 OG SER A 116 -20.207 3.300 -12.525 1.00 0.00 O ATOM 0 H SER A 116 -19.747 2.835 -8.310 1.00 0.00 H new ATOM 0 HA SER A 116 -21.709 2.510 -10.413 1.00 0.00 H new ATOM 0 HB2 SER A 116 -20.759 4.663 -11.079 1.00 0.00 H new ATOM 0 HB3 SER A 116 -19.131 4.032 -10.925 1.00 0.00 H new ATOM 0 HG SER A 116 -19.879 4.004 -13.123 1.00 0.00 H new ATOM 1841 N SER A 117 -20.451 0.482 -11.103 1.00 0.00 N ATOM 1842 CA SER A 117 -19.813 -0.801 -11.344 1.00 0.00 C ATOM 1843 C SER A 117 -19.999 -1.211 -12.806 1.00 0.00 C ATOM 1844 O SER A 117 -21.006 -0.873 -13.427 1.00 0.00 O ATOM 1845 CB SER A 117 -20.375 -1.879 -10.415 1.00 0.00 C ATOM 1846 OG SER A 117 -21.581 -2.445 -10.921 1.00 0.00 O ATOM 0 H SER A 117 -21.360 0.597 -11.551 1.00 0.00 H new ATOM 0 HA SER A 117 -18.748 -0.698 -11.134 1.00 0.00 H new ATOM 0 HB2 SER A 117 -19.633 -2.666 -10.283 1.00 0.00 H new ATOM 0 HB3 SER A 117 -20.562 -1.448 -9.431 1.00 0.00 H new ATOM 0 HG SER A 117 -21.907 -3.130 -10.300 1.00 0.00 H new ATOM 1852 N GLY A 118 -19.012 -1.935 -13.315 1.00 0.00 N ATOM 1853 CA GLY A 118 -19.054 -2.394 -14.693 1.00 0.00 C ATOM 1854 C GLY A 118 -17.756 -2.049 -15.426 1.00 0.00 C ATOM 1855 O GLY A 118 -16.716 -1.858 -14.798 1.00 0.00 O ATOM 0 H GLY A 118 -18.179 -2.215 -12.798 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -19.213 -3.472 -14.716 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -19.899 -1.936 -15.207 1.00 0.00 H new TER 1859 GLY A 118