USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1016 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 10 MET CE :methyl -177:sc= 0 (180deg=-0.0223) USER MOD Set 1.2: A 119 MET CE :methyl -173:sc= 0 (180deg=-0.0524) USER MOD Set 1.3: A 126 CYS SG : rot 160:sc= 0.274 USER MOD Set 1.4: A 128 GLN : amide:sc= -0.232 K(o=0.042,f=-0.85) USER MOD Set 2.1: A 94 GLN : amide:sc= 0.933 K(o=2.2,f=-0.044) USER MOD Set 2.2: A 107 THR OG1 : rot -46:sc= 1.26 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 1.92 K(o=1.9,f=-3.2!) USER MOD Single : A 7 TYR OH : rot 18:sc= 1.23 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 30:sc= 0.319 USER MOD Single : A 13 ASN : amide:sc= 0.741 K(o=0.74,f=0.18) USER MOD Single : A 15 ASN : amide:sc= 0.0696 X(o=0.07,f=-0.13) USER MOD Single : A 19 TYR OH : rot 120:sc= 0.00237 USER MOD Single : A 26 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.37) USER MOD Single : A 31 LYS NZ :NH3+ -151:sc= 1.25 (180deg=0.702) USER MOD Single : A 34 ASN : amide:sc= -0.548 K(o=-0.55,f=-4.3!) USER MOD Single : A 37 LYS NZ :NH3+ 137:sc= -0.0151 (180deg=-1.53!) USER MOD Single : A 44 GLN : amide:sc= 0.737 K(o=0.74,f=-5!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 139:sc= -0.129 (180deg=-0.611) USER MOD Single : A 55 SER OG : rot 180:sc= -0.264 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.14 K(o=0.14,f=-4.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 61:sc= 1.22 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 176:sc= 0.00254 (180deg=0.00216) USER MOD Single : A 95 CYS SG : rot -168:sc= -2.73! USER MOD Single : A 97 GLN : amide:sc= 0.425 K(o=0.43,f=-4.4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -115:sc= 0.128 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.0621 X(o=-0.062,f=-0.089) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.0386 USER MOD Single : A 127 LYS NZ :NH3+ -179:sc= 0.041 (180deg=0.0409) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 163:sc= 0.315 (180deg=0.255) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PRO A 1 3.675 -1.815 0.103 1.00 0.00 N ATOM 20 CA PRO A 1 5.142 -2.062 0.062 1.00 0.00 C ATOM 21 C PRO A 1 5.706 -2.514 -1.322 1.00 0.00 C ATOM 22 O PRO A 1 5.149 -3.381 -2.002 1.00 0.00 O ATOM 23 CB PRO A 1 5.301 -3.119 1.166 1.00 0.00 C ATOM 24 CG PRO A 1 4.001 -3.919 1.152 1.00 0.00 C ATOM 25 CD PRO A 1 2.930 -2.882 0.807 1.00 0.00 C ATOM 0 H2 PRO A 1 3.322 -1.733 -0.851 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.498 -0.923 0.564 1.00 0.00 H new ATOM 0 HA PRO A 1 5.725 -1.154 0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.160 -3.762 0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.464 -2.651 2.137 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.033 -4.720 0.413 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.809 -4.385 2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.151 -3.308 0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.440 -2.501 1.703 1.00 0.00 H new ATOM 33 N VAL A 2 6.856 -1.939 -1.709 1.00 0.00 N ATOM 34 CA VAL A 2 7.569 -2.308 -2.973 1.00 0.00 C ATOM 35 C VAL A 2 8.416 -3.621 -2.831 1.00 0.00 C ATOM 36 O VAL A 2 8.822 -4.022 -1.734 1.00 0.00 O ATOM 37 CB VAL A 2 8.395 -1.101 -3.551 1.00 0.00 C ATOM 38 CG1 VAL A 2 7.506 0.073 -4.013 1.00 0.00 C ATOM 39 CG2 VAL A 2 9.523 -0.560 -2.643 1.00 0.00 C ATOM 0 H VAL A 2 7.325 -1.211 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 2 6.802 -2.539 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 2 8.884 -1.553 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.134 0.874 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.829 -0.269 -4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.926 0.444 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.025 0.269 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.097 -0.214 -1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.243 -1.354 -2.445 1.00 0.00 H new ATOM 49 N ASP A 3 8.686 -4.299 -3.964 1.00 0.00 N ATOM 50 CA ASP A 3 9.534 -5.524 -3.987 1.00 0.00 C ATOM 51 C ASP A 3 11.061 -5.204 -3.897 1.00 0.00 C ATOM 52 O ASP A 3 11.661 -4.665 -4.831 1.00 0.00 O ATOM 53 CB ASP A 3 9.178 -6.367 -5.250 1.00 0.00 C ATOM 54 CG ASP A 3 8.378 -7.628 -4.944 1.00 0.00 C ATOM 55 OD1 ASP A 3 8.859 -8.757 -5.001 1.00 0.00 O ATOM 56 OD2 ASP A 3 7.093 -7.348 -4.574 1.00 0.00 O ATOM 0 H ASP A 3 8.332 -4.024 -4.880 1.00 0.00 H new ATOM 0 HA ASP A 3 9.317 -6.112 -3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.608 -5.746 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.100 -6.648 -5.759 1.00 0.00 H new ATOM 62 N PHE A 4 11.686 -5.603 -2.778 1.00 0.00 N ATOM 63 CA PHE A 4 13.168 -5.512 -2.591 1.00 0.00 C ATOM 64 C PHE A 4 13.986 -6.779 -3.049 1.00 0.00 C ATOM 65 O PHE A 4 15.198 -6.819 -2.828 1.00 0.00 O ATOM 66 CB PHE A 4 13.455 -5.137 -1.101 1.00 0.00 C ATOM 67 CG PHE A 4 13.040 -3.733 -0.608 1.00 0.00 C ATOM 68 CD1 PHE A 4 11.697 -3.436 -0.364 1.00 0.00 C ATOM 69 CD2 PHE A 4 14.004 -2.746 -0.376 1.00 0.00 C ATOM 70 CE1 PHE A 4 11.317 -2.166 0.056 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.622 -1.480 0.071 1.00 0.00 C ATOM 72 CZ PHE A 4 12.279 -1.192 0.287 1.00 0.00 C ATOM 0 H PHE A 4 11.195 -5.997 -1.975 1.00 0.00 H new ATOM 0 HA PHE A 4 13.527 -4.732 -3.262 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.955 -5.872 -0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.526 -5.246 -0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.947 -4.200 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.048 -2.965 -0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.272 -1.937 0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.371 -0.723 0.249 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.985 -0.212 0.634 1.00 0.00 H new ATOM 82 N ASN A 5 13.372 -7.782 -3.714 1.00 0.00 N ATOM 83 CA ASN A 5 14.044 -9.047 -4.126 1.00 0.00 C ATOM 84 C ASN A 5 15.138 -8.831 -5.217 1.00 0.00 C ATOM 85 O ASN A 5 14.821 -8.517 -6.371 1.00 0.00 O ATOM 86 CB ASN A 5 12.970 -10.051 -4.634 1.00 0.00 C ATOM 87 CG ASN A 5 12.123 -10.686 -3.534 1.00 0.00 C ATOM 88 OD1 ASN A 5 12.623 -11.458 -2.723 1.00 0.00 O ATOM 89 ND2 ASN A 5 10.853 -10.381 -3.440 1.00 0.00 N ATOM 0 H ASN A 5 12.389 -7.742 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 5 14.558 -9.446 -3.251 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.310 -9.535 -5.331 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.468 -10.843 -5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.285 -10.785 -2.695 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.432 -9.739 -4.112 1.00 0.00 H new ATOM 96 N GLY A 6 16.420 -9.001 -4.853 1.00 0.00 N ATOM 97 CA GLY A 6 17.521 -8.754 -5.807 1.00 0.00 C ATOM 98 C GLY A 6 18.943 -8.738 -5.228 1.00 0.00 C ATOM 99 O GLY A 6 19.173 -8.767 -4.016 1.00 0.00 O ATOM 0 H GLY A 6 16.719 -9.302 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.478 -9.519 -6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 6 17.341 -7.796 -6.294 1.00 0.00 H new ATOM 103 N TYR A 7 19.900 -8.641 -6.157 1.00 0.00 N ATOM 104 CA TYR A 7 21.323 -8.365 -5.832 1.00 0.00 C ATOM 105 C TYR A 7 21.633 -6.874 -6.186 1.00 0.00 C ATOM 106 O TYR A 7 21.413 -6.423 -7.318 1.00 0.00 O ATOM 107 CB TYR A 7 22.216 -9.381 -6.599 1.00 0.00 C ATOM 108 CG TYR A 7 23.650 -9.511 -6.058 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.634 -8.588 -6.422 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.987 -10.562 -5.199 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.931 -8.708 -5.932 1.00 0.00 C ATOM 112 CE2 TYR A 7 25.283 -10.676 -4.699 1.00 0.00 C ATOM 113 CZ TYR A 7 26.252 -9.744 -5.059 1.00 0.00 C ATOM 114 OH TYR A 7 27.512 -9.832 -4.527 1.00 0.00 O ATOM 0 H TYR A 7 19.721 -8.750 -7.155 1.00 0.00 H new ATOM 0 HA TYR A 7 21.533 -8.495 -4.770 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.739 -10.361 -6.566 1.00 0.00 H new ATOM 0 HB3 TYR A 7 22.263 -9.085 -7.647 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.386 -7.775 -7.089 1.00 0.00 H new ATOM 0 HD2 TYR A 7 23.239 -11.290 -4.921 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.688 -7.998 -6.229 1.00 0.00 H new ATOM 0 HE2 TYR A 7 25.535 -11.487 -4.032 1.00 0.00 H new ATOM 0 HH TYR A 7 27.965 -8.968 -4.615 1.00 0.00 H new ATOM 124 N TRP A 8 22.131 -6.123 -5.197 1.00 0.00 N ATOM 125 CA TRP A 8 22.282 -4.648 -5.280 1.00 0.00 C ATOM 126 C TRP A 8 23.788 -4.286 -5.084 1.00 0.00 C ATOM 127 O TRP A 8 24.389 -4.624 -4.058 1.00 0.00 O ATOM 128 CB TRP A 8 21.393 -3.996 -4.177 1.00 0.00 C ATOM 129 CG TRP A 8 19.877 -4.276 -4.224 1.00 0.00 C ATOM 130 CD1 TRP A 8 19.214 -5.359 -3.600 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.876 -3.530 -4.816 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.824 -5.320 -3.809 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.635 -4.163 -4.542 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.915 -2.316 -5.545 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.427 -3.574 -4.976 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.707 -1.748 -5.952 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.483 -2.366 -5.673 1.00 0.00 C ATOM 0 H TRP A 8 22.445 -6.514 -4.309 1.00 0.00 H new ATOM 0 HA TRP A 8 21.962 -4.273 -6.252 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.766 -4.325 -3.207 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.537 -2.917 -4.224 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.717 -6.126 -3.030 1.00 0.00 H new ATOM 0 HE1 TRP A 8 17.121 -5.988 -3.494 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.856 -1.842 -5.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.479 -4.049 -4.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.717 -0.813 -6.493 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.566 -1.900 -6.003 1.00 0.00 H new ATOM 148 N LYS A 9 24.396 -3.588 -6.058 1.00 0.00 N ATOM 149 CA LYS A 9 25.821 -3.144 -5.979 1.00 0.00 C ATOM 150 C LYS A 9 25.933 -1.679 -5.466 1.00 0.00 C ATOM 151 O LYS A 9 25.191 -0.809 -5.933 1.00 0.00 O ATOM 152 CB LYS A 9 26.540 -3.349 -7.345 1.00 0.00 C ATOM 153 CG LYS A 9 26.125 -2.421 -8.518 1.00 0.00 C ATOM 154 CD LYS A 9 26.996 -2.584 -9.782 1.00 0.00 C ATOM 155 CE LYS A 9 26.539 -1.718 -10.973 1.00 0.00 C ATOM 156 NZ LYS A 9 26.792 -0.277 -10.748 1.00 0.00 N ATOM 0 H LYS A 9 23.928 -3.311 -6.921 1.00 0.00 H new ATOM 0 HA LYS A 9 26.333 -3.769 -5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.611 -3.228 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.379 -4.380 -7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.085 -2.621 -8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.176 -1.385 -8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.027 -2.330 -9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.989 -3.631 -10.083 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.060 -2.040 -11.875 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.474 -1.875 -11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.469 0.265 -11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.275 0.038 -9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.811 -0.121 -10.608 1.00 0.00 H new ATOM 169 N MET A 10 26.857 -1.381 -4.537 1.00 0.00 N ATOM 170 CA MET A 10 26.992 -0.009 -3.975 1.00 0.00 C ATOM 171 C MET A 10 27.603 1.012 -4.991 1.00 0.00 C ATOM 172 O MET A 10 28.711 0.840 -5.507 1.00 0.00 O ATOM 173 CB MET A 10 27.776 -0.093 -2.647 1.00 0.00 C ATOM 174 CG MET A 10 27.854 1.228 -1.855 1.00 0.00 C ATOM 175 SD MET A 10 28.824 0.988 -0.362 1.00 0.00 S ATOM 176 CE MET A 10 27.590 0.253 0.719 1.00 0.00 C ATOM 0 H MET A 10 27.519 -2.057 -4.157 1.00 0.00 H new ATOM 0 HA MET A 10 25.998 0.389 -3.769 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.313 -0.851 -2.016 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.790 -0.432 -2.861 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.305 2.006 -2.471 1.00 0.00 H new ATOM 0 HG3 MET A 10 26.851 1.567 -1.597 1.00 0.00 H new ATOM 0 HE1 MET A 10 28.021 0.092 1.707 1.00 0.00 H new ATOM 0 HE2 MET A 10 26.734 0.922 0.801 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.266 -0.702 0.305 1.00 0.00 H new ATOM 186 N LEU A 11 26.860 2.104 -5.219 1.00 0.00 N ATOM 187 CA LEU A 11 27.368 3.303 -5.940 1.00 0.00 C ATOM 188 C LEU A 11 28.193 4.253 -5.006 1.00 0.00 C ATOM 189 O LEU A 11 29.300 4.649 -5.376 1.00 0.00 O ATOM 190 CB LEU A 11 26.180 4.057 -6.613 1.00 0.00 C ATOM 191 CG LEU A 11 25.350 3.321 -7.701 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.188 4.216 -8.168 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.185 2.916 -8.929 1.00 0.00 C ATOM 0 H LEU A 11 25.891 2.191 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 11 28.056 2.964 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.493 4.363 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.578 4.968 -7.060 1.00 0.00 H new ATOM 0 HG LEU A 11 24.979 2.407 -7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.610 3.694 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.544 4.448 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.586 5.141 -8.585 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.547 2.407 -9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.613 3.807 -9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 11 26.988 2.247 -8.619 1.00 0.00 H new ATOM 205 N SER A 12 27.658 4.625 -3.822 1.00 0.00 N ATOM 206 CA SER A 12 28.349 5.521 -2.857 1.00 0.00 C ATOM 207 C SER A 12 27.944 5.208 -1.388 1.00 0.00 C ATOM 208 O SER A 12 26.756 5.265 -1.052 1.00 0.00 O ATOM 209 CB SER A 12 28.040 7.002 -3.182 1.00 0.00 C ATOM 210 OG SER A 12 26.647 7.307 -3.062 1.00 0.00 O ATOM 0 H SER A 12 26.739 4.316 -3.506 1.00 0.00 H new ATOM 0 HA SER A 12 29.420 5.343 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.609 7.645 -2.511 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.372 7.226 -4.196 1.00 0.00 H new ATOM 0 HG SER A 12 26.242 6.727 -2.384 1.00 0.00 H new ATOM 216 N ASN A 13 28.935 4.979 -0.508 1.00 0.00 N ATOM 217 CA ASN A 13 28.738 5.041 0.972 1.00 0.00 C ATOM 218 C ASN A 13 29.238 6.410 1.545 1.00 0.00 C ATOM 219 O ASN A 13 30.443 6.677 1.583 1.00 0.00 O ATOM 220 CB ASN A 13 29.327 3.787 1.687 1.00 0.00 C ATOM 221 CG ASN A 13 30.767 3.296 1.454 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.016 2.106 1.308 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.758 4.150 1.454 1.00 0.00 N ATOM 0 H ASN A 13 29.888 4.747 -0.787 1.00 0.00 H new ATOM 0 HA ASN A 13 27.670 5.004 1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.229 3.965 2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 13 28.671 2.952 1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.716 3.820 1.334 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.573 5.146 1.574 1.00 0.00 H new ATOM 230 N GLU A 14 28.311 7.285 1.971 1.00 0.00 N ATOM 231 CA GLU A 14 28.631 8.681 2.387 1.00 0.00 C ATOM 232 C GLU A 14 28.394 8.843 3.920 1.00 0.00 C ATOM 233 O GLU A 14 27.311 8.532 4.425 1.00 0.00 O ATOM 234 CB GLU A 14 27.752 9.633 1.528 1.00 0.00 C ATOM 235 CG GLU A 14 28.157 11.128 1.600 1.00 0.00 C ATOM 236 CD GLU A 14 27.205 12.077 0.873 1.00 0.00 C ATOM 237 OE1 GLU A 14 26.465 12.866 1.452 1.00 0.00 O ATOM 238 OE2 GLU A 14 27.287 11.952 -0.484 1.00 0.00 O ATOM 0 H GLU A 14 27.320 7.056 2.040 1.00 0.00 H new ATOM 0 HA GLU A 14 29.679 8.928 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.797 9.308 0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.715 9.536 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 14 28.217 11.425 2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 14 29.156 11.242 1.178 1.00 0.00 H new ATOM 246 N ASN A 15 29.412 9.312 4.674 1.00 0.00 N ATOM 247 CA ASN A 15 29.356 9.394 6.178 1.00 0.00 C ATOM 248 C ASN A 15 29.225 8.022 6.950 1.00 0.00 C ATOM 249 O ASN A 15 28.752 7.972 8.089 1.00 0.00 O ATOM 250 CB ASN A 15 28.334 10.513 6.559 1.00 0.00 C ATOM 251 CG ASN A 15 28.548 11.204 7.900 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.404 12.068 8.047 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.783 10.882 8.910 1.00 0.00 N ATOM 0 H ASN A 15 30.292 9.644 4.279 1.00 0.00 H new ATOM 0 HA ASN A 15 30.338 9.684 6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.353 11.273 5.777 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.335 10.077 6.556 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.902 11.349 9.809 1.00 0.00 H new ATOM 0 HD22 ASN A 15 27.067 10.164 8.799 1.00 0.00 H new ATOM 260 N PHE A 16 29.730 6.921 6.357 1.00 0.00 N ATOM 261 CA PHE A 16 29.787 5.578 7.001 1.00 0.00 C ATOM 262 C PHE A 16 30.821 5.464 8.170 1.00 0.00 C ATOM 263 O PHE A 16 30.451 4.964 9.235 1.00 0.00 O ATOM 264 CB PHE A 16 29.959 4.539 5.851 1.00 0.00 C ATOM 265 CG PHE A 16 29.719 3.036 6.102 1.00 0.00 C ATOM 266 CD1 PHE A 16 28.806 2.548 7.046 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.360 2.126 5.252 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.571 1.181 7.164 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.113 0.761 5.358 1.00 0.00 C ATOM 270 CZ PHE A 16 29.224 0.288 6.318 1.00 0.00 C ATOM 0 H PHE A 16 30.114 6.931 5.412 1.00 0.00 H new ATOM 0 HA PHE A 16 28.860 5.373 7.536 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.290 4.840 5.045 1.00 0.00 H new ATOM 0 HB3 PHE A 16 30.977 4.642 5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.280 3.239 7.688 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.053 2.488 4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 16 27.883 0.813 7.911 1.00 0.00 H new ATOM 0 HE2 PHE A 16 30.611 0.069 4.695 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.040 -0.772 6.407 1.00 0.00 H new ATOM 280 N GLU A 17 32.066 5.975 8.022 1.00 0.00 N ATOM 281 CA GLU A 17 33.069 6.018 9.130 1.00 0.00 C ATOM 282 C GLU A 17 32.615 6.689 10.466 1.00 0.00 C ATOM 283 O GLU A 17 32.799 6.078 11.520 1.00 0.00 O ATOM 284 CB GLU A 17 34.403 6.674 8.682 1.00 0.00 C ATOM 285 CG GLU A 17 35.166 5.962 7.551 1.00 0.00 C ATOM 286 CD GLU A 17 36.622 6.378 7.415 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.063 7.028 6.473 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.379 5.930 8.455 1.00 0.00 O ATOM 0 H GLU A 17 32.408 6.367 7.144 1.00 0.00 H new ATOM 0 HA GLU A 17 33.200 4.959 9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.192 7.695 8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 17 35.060 6.740 9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.123 4.886 7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 17 34.656 6.156 6.607 1.00 0.00 H new ATOM 296 N GLU A 18 32.075 7.921 10.465 1.00 0.00 N ATOM 297 CA GLU A 18 31.593 8.586 11.718 1.00 0.00 C ATOM 298 C GLU A 18 30.213 8.095 12.282 1.00 0.00 C ATOM 299 O GLU A 18 30.026 8.136 13.500 1.00 0.00 O ATOM 300 CB GLU A 18 31.727 10.128 11.646 1.00 0.00 C ATOM 301 CG GLU A 18 31.146 10.826 10.400 1.00 0.00 C ATOM 302 CD GLU A 18 32.151 11.049 9.265 1.00 0.00 C ATOM 303 OE1 GLU A 18 32.890 12.024 9.191 1.00 0.00 O ATOM 304 OE2 GLU A 18 32.149 10.037 8.352 1.00 0.00 O ATOM 0 H GLU A 18 31.956 8.484 9.623 1.00 0.00 H new ATOM 0 HA GLU A 18 32.284 8.236 12.485 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.244 10.551 12.527 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.786 10.379 11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.316 10.230 10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.736 11.791 10.699 1.00 0.00 H new ATOM 312 N TYR A 19 29.288 7.551 11.466 1.00 0.00 N ATOM 313 CA TYR A 19 28.249 6.588 11.954 1.00 0.00 C ATOM 314 C TYR A 19 28.826 5.332 12.706 1.00 0.00 C ATOM 315 O TYR A 19 28.373 5.026 13.810 1.00 0.00 O ATOM 316 CB TYR A 19 27.338 6.247 10.738 1.00 0.00 C ATOM 317 CG TYR A 19 26.429 5.008 10.868 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.272 5.033 11.652 1.00 0.00 C ATOM 319 CD2 TYR A 19 26.829 3.807 10.276 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.529 3.867 11.834 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.077 2.650 10.445 1.00 0.00 C ATOM 322 CZ TYR A 19 24.925 2.682 11.227 1.00 0.00 C ATOM 323 OH TYR A 19 24.185 1.545 11.407 1.00 0.00 O ATOM 0 H TYR A 19 29.229 7.754 10.468 1.00 0.00 H new ATOM 0 HA TYR A 19 27.655 7.056 12.739 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.705 7.111 10.536 1.00 0.00 H new ATOM 0 HB3 TYR A 19 27.976 6.109 9.865 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.954 5.955 12.116 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.730 3.777 9.682 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.642 3.885 12.450 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.385 1.730 9.971 1.00 0.00 H new ATOM 0 HH TYR A 19 23.865 1.222 10.539 1.00 0.00 H new ATOM 333 N LEU A 20 29.821 4.629 12.134 1.00 0.00 N ATOM 334 CA LEU A 20 30.576 3.562 12.851 1.00 0.00 C ATOM 335 C LEU A 20 31.377 4.049 14.118 1.00 0.00 C ATOM 336 O LEU A 20 31.379 3.342 15.128 1.00 0.00 O ATOM 337 CB LEU A 20 31.451 2.800 11.813 1.00 0.00 C ATOM 338 CG LEU A 20 30.726 1.994 10.695 1.00 0.00 C ATOM 339 CD1 LEU A 20 31.712 1.593 9.583 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.029 0.726 11.219 1.00 0.00 C ATOM 0 H LEU A 20 30.129 4.775 11.173 1.00 0.00 H new ATOM 0 HA LEU A 20 29.853 2.876 13.292 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.105 3.527 11.330 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.092 2.109 12.360 1.00 0.00 H new ATOM 0 HG LEU A 20 29.959 2.660 10.300 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.183 1.031 8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.148 2.490 9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.504 0.974 10.005 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.543 0.210 10.391 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.768 0.067 11.674 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.282 1.003 11.963 1.00 0.00 H new ATOM 352 N ARG A 21 31.959 5.272 14.133 1.00 0.00 N ATOM 353 CA ARG A 21 32.402 5.948 15.394 1.00 0.00 C ATOM 354 C ARG A 21 31.268 6.146 16.465 1.00 0.00 C ATOM 355 O ARG A 21 31.459 5.783 17.628 1.00 0.00 O ATOM 356 CB ARG A 21 33.046 7.312 15.020 1.00 0.00 C ATOM 357 CG ARG A 21 33.924 7.977 16.102 1.00 0.00 C ATOM 358 CD ARG A 21 34.199 9.468 15.817 1.00 0.00 C ATOM 359 NE ARG A 21 35.209 9.672 14.741 1.00 0.00 N ATOM 360 CZ ARG A 21 36.259 10.493 14.806 1.00 0.00 C ATOM 361 NH1 ARG A 21 36.602 11.191 15.868 1.00 0.00 N ATOM 362 NH2 ARG A 21 37.003 10.614 13.742 1.00 0.00 N ATOM 0 H ARG A 21 32.136 5.818 13.290 1.00 0.00 H new ATOM 0 HA ARG A 21 33.123 5.287 15.874 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.654 7.169 14.127 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.248 8.005 14.754 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.433 7.882 17.071 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.872 7.444 16.171 1.00 0.00 H new ATOM 0 HD2 ARG A 21 33.267 9.957 15.532 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.546 9.950 16.731 1.00 0.00 H new ATOM 0 HE ARG A 21 35.087 9.138 13.880 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.048 11.125 16.722 1.00 0.00 H new ATOM 0 HH12 ARG A 21 37.421 11.798 15.837 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.774 10.090 12.897 1.00 0.00 H new ATOM 0 HH22 ARG A 21 37.814 11.232 13.754 1.00 0.00 H new ATOM 376 N ALA A 22 30.089 6.665 16.063 1.00 0.00 N ATOM 377 CA ALA A 22 28.862 6.673 16.901 1.00 0.00 C ATOM 378 C ALA A 22 28.252 5.297 17.345 1.00 0.00 C ATOM 379 O ALA A 22 27.435 5.289 18.266 1.00 0.00 O ATOM 380 CB ALA A 22 27.839 7.513 16.113 1.00 0.00 C ATOM 0 H ALA A 22 29.956 7.092 15.146 1.00 0.00 H new ATOM 0 HA ALA A 22 29.140 7.085 17.871 1.00 0.00 H new ATOM 0 HB1 ALA A 22 26.904 7.564 16.671 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.230 8.520 15.967 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.658 7.050 15.143 1.00 0.00 H new ATOM 386 N LEU A 23 28.662 4.156 16.757 1.00 0.00 N ATOM 387 CA LEU A 23 28.442 2.798 17.343 1.00 0.00 C ATOM 388 C LEU A 23 29.577 2.262 18.291 1.00 0.00 C ATOM 389 O LEU A 23 29.445 1.158 18.826 1.00 0.00 O ATOM 390 CB LEU A 23 28.239 1.830 16.143 1.00 0.00 C ATOM 391 CG LEU A 23 26.908 1.992 15.362 1.00 0.00 C ATOM 392 CD1 LEU A 23 27.000 1.319 13.987 1.00 0.00 C ATOM 393 CD2 LEU A 23 25.721 1.402 16.140 1.00 0.00 C ATOM 0 H LEU A 23 29.155 4.138 15.864 1.00 0.00 H new ATOM 0 HA LEU A 23 27.576 2.863 18.001 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.066 1.967 15.446 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.299 0.806 16.512 1.00 0.00 H new ATOM 0 HG LEU A 23 26.740 3.061 15.232 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.056 1.445 13.457 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.804 1.777 13.411 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.205 0.256 14.115 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.806 1.534 15.563 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.891 0.339 16.313 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.623 1.914 17.097 1.00 0.00 H new ATOM 405 N ASP A 24 30.674 3.015 18.502 1.00 0.00 N ATOM 406 CA ASP A 24 31.941 2.531 19.131 1.00 0.00 C ATOM 407 C ASP A 24 32.697 1.402 18.342 1.00 0.00 C ATOM 408 O ASP A 24 33.195 0.436 18.927 1.00 0.00 O ATOM 409 CB ASP A 24 31.775 2.254 20.656 1.00 0.00 C ATOM 410 CG ASP A 24 31.512 3.467 21.551 1.00 0.00 C ATOM 411 OD1 ASP A 24 30.489 3.608 22.212 1.00 0.00 O ATOM 412 OD2 ASP A 24 32.558 4.346 21.558 1.00 0.00 O ATOM 0 H ASP A 24 30.716 3.999 18.238 1.00 0.00 H new ATOM 0 HA ASP A 24 32.633 3.369 19.050 1.00 0.00 H new ATOM 0 HB2 ASP A 24 30.953 1.551 20.786 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.678 1.758 21.012 1.00 0.00 H new ATOM 418 N VAL A 25 32.857 1.576 17.017 1.00 0.00 N ATOM 419 CA VAL A 25 33.658 0.651 16.158 1.00 0.00 C ATOM 420 C VAL A 25 35.106 1.236 16.018 1.00 0.00 C ATOM 421 O VAL A 25 35.301 2.430 15.763 1.00 0.00 O ATOM 422 CB VAL A 25 32.937 0.423 14.783 1.00 0.00 C ATOM 423 CG1 VAL A 25 33.712 -0.496 13.810 1.00 0.00 C ATOM 424 CG2 VAL A 25 31.508 -0.166 14.921 1.00 0.00 C ATOM 0 H VAL A 25 32.442 2.353 16.504 1.00 0.00 H new ATOM 0 HA VAL A 25 33.742 -0.336 16.614 1.00 0.00 H new ATOM 0 HB VAL A 25 32.889 1.432 14.374 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.148 -0.603 12.884 1.00 0.00 H new ATOM 0 HG12 VAL A 25 34.686 -0.057 13.593 1.00 0.00 H new ATOM 0 HG13 VAL A 25 33.849 -1.476 14.267 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.071 -0.297 13.931 1.00 0.00 H new ATOM 0 HG22 VAL A 25 31.559 -1.131 15.425 1.00 0.00 H new ATOM 0 HG23 VAL A 25 30.888 0.515 15.504 1.00 0.00 H new ATOM 434 N ASN A 26 36.130 0.377 16.159 1.00 0.00 N ATOM 435 CA ASN A 26 37.560 0.774 16.030 1.00 0.00 C ATOM 436 C ASN A 26 37.987 1.276 14.609 1.00 0.00 C ATOM 437 O ASN A 26 37.431 0.864 13.586 1.00 0.00 O ATOM 438 CB ASN A 26 38.433 -0.412 16.537 1.00 0.00 C ATOM 439 CG ASN A 26 38.241 -1.772 15.844 1.00 0.00 C ATOM 440 OD1 ASN A 26 37.336 -2.538 16.152 1.00 0.00 O ATOM 441 ND2 ASN A 26 39.054 -2.099 14.878 1.00 0.00 N ATOM 0 H ASN A 26 36.000 -0.613 16.366 1.00 0.00 H new ATOM 0 HA ASN A 26 37.718 1.658 16.648 1.00 0.00 H new ATOM 0 HB2 ASN A 26 39.480 -0.127 16.438 1.00 0.00 H new ATOM 0 HB3 ASN A 26 38.238 -0.544 17.601 1.00 0.00 H new ATOM 0 HD21 ASN A 26 38.933 -2.985 14.387 1.00 0.00 H new ATOM 0 HD22 ASN A 26 39.811 -1.469 14.613 1.00 0.00 H new ATOM 448 N VAL A 27 39.010 2.150 14.558 1.00 0.00 N ATOM 449 CA VAL A 27 39.431 2.854 13.298 1.00 0.00 C ATOM 450 C VAL A 27 39.854 1.921 12.103 1.00 0.00 C ATOM 451 O VAL A 27 39.516 2.234 10.957 1.00 0.00 O ATOM 452 CB VAL A 27 40.443 4.016 13.615 1.00 0.00 C ATOM 453 CG1 VAL A 27 40.811 4.864 12.371 1.00 0.00 C ATOM 454 CG2 VAL A 27 39.931 5.018 14.684 1.00 0.00 C ATOM 0 H VAL A 27 39.573 2.397 15.372 1.00 0.00 H new ATOM 0 HA VAL A 27 38.528 3.315 12.897 1.00 0.00 H new ATOM 0 HB VAL A 27 41.314 3.478 13.989 1.00 0.00 H new ATOM 0 HG11 VAL A 27 41.512 5.647 12.659 1.00 0.00 H new ATOM 0 HG12 VAL A 27 41.271 4.224 11.618 1.00 0.00 H new ATOM 0 HG13 VAL A 27 39.909 5.317 11.960 1.00 0.00 H new ATOM 0 HG21 VAL A 27 40.683 5.790 14.849 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.007 5.480 14.337 1.00 0.00 H new ATOM 0 HG23 VAL A 27 39.743 4.489 15.618 1.00 0.00 H new ATOM 464 N ALA A 28 40.504 0.765 12.352 1.00 0.00 N ATOM 465 CA ALA A 28 40.682 -0.297 11.322 1.00 0.00 C ATOM 466 C ALA A 28 39.369 -0.834 10.656 1.00 0.00 C ATOM 467 O ALA A 28 39.288 -0.820 9.430 1.00 0.00 O ATOM 468 CB ALA A 28 41.538 -1.418 11.942 1.00 0.00 C ATOM 0 H ALA A 28 40.917 0.537 13.256 1.00 0.00 H new ATOM 0 HA ALA A 28 41.192 0.157 10.473 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.685 -2.211 11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.506 -1.015 12.239 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.029 -1.822 12.817 1.00 0.00 H new ATOM 474 N LEU A 29 38.336 -1.241 11.419 1.00 0.00 N ATOM 475 CA LEU A 29 36.990 -1.579 10.858 1.00 0.00 C ATOM 476 C LEU A 29 36.121 -0.380 10.340 1.00 0.00 C ATOM 477 O LEU A 29 35.339 -0.581 9.410 1.00 0.00 O ATOM 478 CB LEU A 29 36.224 -2.429 11.921 1.00 0.00 C ATOM 479 CG LEU A 29 36.358 -3.975 11.877 1.00 0.00 C ATOM 480 CD1 LEU A 29 35.742 -4.588 10.606 1.00 0.00 C ATOM 481 CD2 LEU A 29 37.800 -4.474 12.070 1.00 0.00 C ATOM 0 H LEU A 29 38.397 -1.348 12.432 1.00 0.00 H new ATOM 0 HA LEU A 29 37.173 -2.142 9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 29 36.550 -2.097 12.907 1.00 0.00 H new ATOM 0 HB3 LEU A 29 35.165 -2.187 11.837 1.00 0.00 H new ATOM 0 HG LEU A 29 35.782 -4.324 12.734 1.00 0.00 H new ATOM 0 HD11 LEU A 29 35.864 -5.671 10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 29 34.681 -4.343 10.562 1.00 0.00 H new ATOM 0 HD13 LEU A 29 36.244 -4.184 9.727 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.817 -5.563 12.028 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.434 -4.070 11.280 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.173 -4.143 13.039 1.00 0.00 H new ATOM 493 N ARG A 30 36.257 0.852 10.871 1.00 0.00 N ATOM 494 CA ARG A 30 35.763 2.090 10.187 1.00 0.00 C ATOM 495 C ARG A 30 36.332 2.293 8.735 1.00 0.00 C ATOM 496 O ARG A 30 35.557 2.421 7.781 1.00 0.00 O ATOM 497 CB ARG A 30 36.044 3.337 11.073 1.00 0.00 C ATOM 498 CG ARG A 30 35.302 3.419 12.435 1.00 0.00 C ATOM 499 CD ARG A 30 35.686 4.625 13.318 1.00 0.00 C ATOM 500 NE ARG A 30 35.365 5.910 12.643 1.00 0.00 N ATOM 501 CZ ARG A 30 36.171 6.959 12.501 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.391 7.030 12.973 1.00 0.00 N ATOM 503 NH2 ARG A 30 35.716 7.993 11.850 1.00 0.00 N ATOM 0 H ARG A 30 36.703 1.028 11.771 1.00 0.00 H new ATOM 0 HA ARG A 30 34.688 1.961 10.060 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.116 3.378 11.269 1.00 0.00 H new ATOM 0 HB3 ARG A 30 35.791 4.226 10.496 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.229 3.454 12.245 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.497 2.503 12.993 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.154 4.567 14.268 1.00 0.00 H new ATOM 0 HD3 ARG A 30 36.751 4.587 13.546 1.00 0.00 H new ATOM 0 HE ARG A 30 34.429 5.997 12.247 1.00 0.00 H new ATOM 0 HH11 ARG A 30 37.784 6.244 13.491 1.00 0.00 H new ATOM 0 HH12 ARG A 30 37.948 7.871 12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 30 34.770 7.980 11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 30 36.306 8.815 11.722 1.00 0.00 H new ATOM 517 N LYS A 31 37.670 2.268 8.567 1.00 0.00 N ATOM 518 CA LYS A 31 38.330 2.245 7.231 1.00 0.00 C ATOM 519 C LYS A 31 38.044 0.958 6.385 1.00 0.00 C ATOM 520 O LYS A 31 37.613 1.092 5.237 1.00 0.00 O ATOM 521 CB LYS A 31 39.862 2.463 7.414 1.00 0.00 C ATOM 522 CG LYS A 31 40.341 3.831 7.957 1.00 0.00 C ATOM 523 CD LYS A 31 40.151 5.005 6.971 1.00 0.00 C ATOM 524 CE LYS A 31 40.687 6.368 7.450 1.00 0.00 C ATOM 525 NZ LYS A 31 39.997 6.885 8.651 1.00 0.00 N ATOM 0 H LYS A 31 38.328 2.263 9.346 1.00 0.00 H new ATOM 0 HA LYS A 31 37.893 3.059 6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.232 1.689 8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.340 2.301 6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 31 39.801 4.053 8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 31 41.397 3.757 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 31 40.642 4.751 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 31 39.087 5.108 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 31 41.752 6.276 7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 31 40.586 7.093 6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 40.018 7.925 8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 39.009 6.559 8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 40.477 6.535 9.505 1.00 0.00 H new ATOM 538 N ILE A 32 38.205 -0.272 6.925 1.00 0.00 N ATOM 539 CA ILE A 32 37.851 -1.552 6.216 1.00 0.00 C ATOM 540 C ILE A 32 36.286 -1.799 6.239 1.00 0.00 C ATOM 541 O ILE A 32 35.759 -2.778 6.774 1.00 0.00 O ATOM 542 CB ILE A 32 38.702 -2.759 6.771 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.244 -2.523 6.893 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.498 -4.043 5.923 1.00 0.00 C ATOM 545 CD1 ILE A 32 40.931 -3.418 7.942 1.00 0.00 C ATOM 0 H ILE A 32 38.582 -0.419 7.861 1.00 0.00 H new ATOM 0 HA ILE A 32 38.119 -1.463 5.163 1.00 0.00 H new ATOM 0 HB ILE A 32 38.314 -2.868 7.784 1.00 0.00 H new ATOM 0 HG12 ILE A 32 40.706 -2.698 5.922 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.423 -1.478 7.148 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.100 -4.852 6.337 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.446 -4.328 5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 32 38.804 -3.852 4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 32 41.998 -3.196 7.968 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.497 -3.227 8.923 1.00 0.00 H new ATOM 0 HD13 ILE A 32 40.785 -4.465 7.678 1.00 0.00 H new ATOM 557 N ALA A 33 35.578 -0.855 5.609 1.00 0.00 N ATOM 558 CA ALA A 33 34.100 -0.778 5.500 1.00 0.00 C ATOM 559 C ALA A 33 33.693 0.425 4.597 1.00 0.00 C ATOM 560 O ALA A 33 32.973 0.228 3.618 1.00 0.00 O ATOM 561 CB ALA A 33 33.376 -0.735 6.866 1.00 0.00 C ATOM 0 H ALA A 33 36.037 -0.078 5.133 1.00 0.00 H new ATOM 0 HA ALA A 33 33.769 -1.705 5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.299 -0.679 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.612 -1.636 7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.705 0.141 7.425 1.00 0.00 H new ATOM 567 N ASN A 34 34.171 1.653 4.888 1.00 0.00 N ATOM 568 CA ASN A 34 34.078 2.804 3.948 1.00 0.00 C ATOM 569 C ASN A 34 35.009 2.741 2.689 1.00 0.00 C ATOM 570 O ASN A 34 34.609 3.215 1.623 1.00 0.00 O ATOM 571 CB ASN A 34 34.324 4.081 4.794 1.00 0.00 C ATOM 572 CG ASN A 34 33.862 5.403 4.163 1.00 0.00 C ATOM 573 OD1 ASN A 34 32.737 5.855 4.334 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.728 6.101 3.474 1.00 0.00 N ATOM 0 H ASN A 34 34.629 1.880 5.771 1.00 0.00 H new ATOM 0 HA ASN A 34 33.087 2.792 3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 34 33.818 3.962 5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.391 4.154 5.004 1.00 0.00 H new ATOM 0 HD21 ASN A 34 34.462 7.007 3.089 1.00 0.00 H new ATOM 0 HD22 ASN A 34 35.669 5.739 3.322 1.00 0.00 H new ATOM 581 N LEU A 35 36.234 2.195 2.809 1.00 0.00 N ATOM 582 CA LEU A 35 37.165 2.033 1.648 1.00 0.00 C ATOM 583 C LEU A 35 36.759 0.925 0.619 1.00 0.00 C ATOM 584 O LEU A 35 36.987 1.101 -0.581 1.00 0.00 O ATOM 585 CB LEU A 35 38.619 1.789 2.151 1.00 0.00 C ATOM 586 CG LEU A 35 39.308 2.900 2.989 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.659 2.386 3.515 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.539 4.201 2.198 1.00 0.00 C ATOM 0 H LEU A 35 36.613 1.855 3.693 1.00 0.00 H new ATOM 0 HA LEU A 35 37.100 2.973 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.615 0.877 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 35 39.244 1.596 1.279 1.00 0.00 H new ATOM 0 HG LEU A 35 38.632 3.137 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.141 3.167 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.496 1.509 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.299 2.118 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 35 40.023 4.936 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 35 40.176 3.995 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.582 4.593 1.855 1.00 0.00 H new ATOM 600 N LEU A 36 36.172 -0.197 1.076 1.00 0.00 N ATOM 601 CA LEU A 36 35.539 -1.200 0.174 1.00 0.00 C ATOM 602 C LEU A 36 34.035 -0.852 -0.088 1.00 0.00 C ATOM 603 O LEU A 36 33.361 -0.293 0.781 1.00 0.00 O ATOM 604 CB LEU A 36 35.825 -2.627 0.721 1.00 0.00 C ATOM 605 CG LEU A 36 35.031 -3.052 1.985 1.00 0.00 C ATOM 606 CD1 LEU A 36 33.840 -3.954 1.623 1.00 0.00 C ATOM 607 CD2 LEU A 36 35.923 -3.745 3.027 1.00 0.00 C ATOM 0 H LEU A 36 36.119 -0.439 2.065 1.00 0.00 H new ATOM 0 HA LEU A 36 35.982 -1.172 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 36 35.616 -3.345 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 36 36.889 -2.700 0.945 1.00 0.00 H new ATOM 0 HG LEU A 36 34.650 -2.134 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 36 33.306 -4.233 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 36 33.166 -3.416 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 36 34.203 -4.853 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 36 35.322 -4.023 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 36 36.366 -4.640 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 36 36.715 -3.064 3.339 1.00 0.00 H new ATOM 619 N LYS A 37 33.498 -1.194 -1.271 1.00 0.00 N ATOM 620 CA LYS A 37 32.065 -0.937 -1.602 1.00 0.00 C ATOM 621 C LYS A 37 31.249 -2.278 -1.509 1.00 0.00 C ATOM 622 O LYS A 37 31.235 -3.015 -2.502 1.00 0.00 O ATOM 623 CB LYS A 37 31.973 -0.223 -2.985 1.00 0.00 C ATOM 624 CG LYS A 37 32.549 1.214 -3.090 1.00 0.00 C ATOM 625 CD LYS A 37 31.896 2.257 -2.151 1.00 0.00 C ATOM 626 CE LYS A 37 32.471 3.677 -2.295 1.00 0.00 C ATOM 627 NZ LYS A 37 31.875 4.385 -3.444 1.00 0.00 N ATOM 0 H LYS A 37 34.023 -1.648 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 37 31.609 -0.261 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.485 -0.845 -3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.923 -0.186 -3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.617 1.176 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.441 1.557 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.825 2.288 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 37 32.020 1.929 -1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 37 32.284 4.241 -1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 37 33.552 3.622 -2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 31.652 5.364 -3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 32.549 4.391 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 31.003 3.900 -3.736 1.00 0.00 H new ATOM 640 N PRO A 38 30.578 -2.662 -0.375 1.00 0.00 N ATOM 641 CA PRO A 38 29.884 -3.979 -0.261 1.00 0.00 C ATOM 642 C PRO A 38 28.544 -4.106 -1.061 1.00 0.00 C ATOM 643 O PRO A 38 27.914 -3.117 -1.444 1.00 0.00 O ATOM 644 CB PRO A 38 29.716 -4.108 1.269 1.00 0.00 C ATOM 645 CG PRO A 38 29.617 -2.675 1.788 1.00 0.00 C ATOM 646 CD PRO A 38 30.593 -1.906 0.899 1.00 0.00 C ATOM 0 HA PRO A 38 30.450 -4.791 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.822 -4.679 1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.563 -4.630 1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.603 -2.286 1.701 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.895 -2.609 2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.275 -0.873 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.592 -1.875 1.334 1.00 0.00 H new ATOM 654 N ASP A 39 28.116 -5.351 -1.315 1.00 0.00 N ATOM 655 CA ASP A 39 26.864 -5.641 -2.078 1.00 0.00 C ATOM 656 C ASP A 39 25.722 -6.092 -1.117 1.00 0.00 C ATOM 657 O ASP A 39 25.956 -6.850 -0.173 1.00 0.00 O ATOM 658 CB ASP A 39 27.142 -6.734 -3.144 1.00 0.00 C ATOM 659 CG ASP A 39 28.138 -6.374 -4.252 1.00 0.00 C ATOM 660 OD1 ASP A 39 28.281 -5.250 -4.722 1.00 0.00 O ATOM 661 OD2 ASP A 39 28.839 -7.462 -4.683 1.00 0.00 O ATOM 0 H ASP A 39 28.613 -6.187 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 39 26.540 -4.729 -2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.509 -7.624 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.195 -7.003 -3.611 1.00 0.00 H new ATOM 667 N LYS A 40 24.473 -5.675 -1.371 1.00 0.00 N ATOM 668 CA LYS A 40 23.295 -6.192 -0.620 1.00 0.00 C ATOM 669 C LYS A 40 22.530 -7.226 -1.491 1.00 0.00 C ATOM 670 O LYS A 40 21.956 -6.877 -2.523 1.00 0.00 O ATOM 671 CB LYS A 40 22.399 -5.031 -0.102 1.00 0.00 C ATOM 672 CG LYS A 40 22.832 -4.523 1.292 1.00 0.00 C ATOM 673 CD LYS A 40 21.884 -3.472 1.904 1.00 0.00 C ATOM 674 CE LYS A 40 22.196 -3.157 3.379 1.00 0.00 C ATOM 675 NZ LYS A 40 23.449 -2.390 3.547 1.00 0.00 N ATOM 0 H LYS A 40 24.242 -4.985 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 40 23.634 -6.715 0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.434 -4.205 -0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.364 -5.369 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.901 -5.373 1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.831 -4.094 1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 40 21.947 -2.553 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.857 -3.829 1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 40 21.369 -2.592 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 40 22.268 -4.090 3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.610 -2.206 4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 24.245 -2.938 3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 23.374 -1.486 3.038 1.00 0.00 H new ATOM 688 N GLU A 41 22.489 -8.497 -1.061 1.00 0.00 N ATOM 689 CA GLU A 41 21.517 -9.486 -1.602 1.00 0.00 C ATOM 690 C GLU A 41 20.278 -9.527 -0.657 1.00 0.00 C ATOM 691 O GLU A 41 20.369 -9.978 0.489 1.00 0.00 O ATOM 692 CB GLU A 41 22.206 -10.855 -1.815 1.00 0.00 C ATOM 693 CG GLU A 41 21.326 -11.893 -2.558 1.00 0.00 C ATOM 694 CD GLU A 41 21.992 -13.259 -2.705 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.225 -14.011 -1.765 1.00 0.00 O ATOM 696 OE2 GLU A 41 22.299 -13.552 -3.999 1.00 0.00 O ATOM 0 H GLU A 41 23.110 -8.872 -0.344 1.00 0.00 H new ATOM 0 HA GLU A 41 21.157 -9.194 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 41 23.126 -10.704 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.490 -11.262 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.385 -12.012 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.081 -11.508 -3.548 1.00 0.00 H new ATOM 704 N ILE A 42 19.132 -9.021 -1.138 1.00 0.00 N ATOM 705 CA ILE A 42 17.881 -8.949 -0.329 1.00 0.00 C ATOM 706 C ILE A 42 16.887 -10.035 -0.856 1.00 0.00 C ATOM 707 O ILE A 42 16.552 -10.077 -2.045 1.00 0.00 O ATOM 708 CB ILE A 42 17.283 -7.496 -0.280 1.00 0.00 C ATOM 709 CG1 ILE A 42 18.253 -6.453 0.355 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.923 -7.469 0.478 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.878 -4.977 0.132 1.00 0.00 C ATOM 0 H ILE A 42 19.034 -8.652 -2.084 1.00 0.00 H new ATOM 0 HA ILE A 42 18.099 -9.172 0.715 1.00 0.00 H new ATOM 0 HB ILE A 42 17.127 -7.209 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.306 -6.638 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.252 -6.621 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.536 -6.450 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.211 -8.120 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 42 16.069 -7.818 1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.617 -4.337 0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.856 -4.765 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.895 -4.783 0.561 1.00 0.00 H new ATOM 723 N VAL A 43 16.370 -10.858 0.070 1.00 0.00 N ATOM 724 CA VAL A 43 15.162 -11.702 -0.164 1.00 0.00 C ATOM 725 C VAL A 43 14.001 -11.028 0.642 1.00 0.00 C ATOM 726 O VAL A 43 14.071 -10.914 1.869 1.00 0.00 O ATOM 727 CB VAL A 43 15.410 -13.196 0.248 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.166 -14.095 0.048 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.571 -13.871 -0.522 1.00 0.00 C ATOM 0 H VAL A 43 16.768 -10.965 1.003 1.00 0.00 H new ATOM 0 HA VAL A 43 14.906 -11.752 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 43 15.662 -13.119 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.402 -15.115 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.343 -13.718 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 43 13.876 -14.086 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.682 -14.901 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.353 -13.862 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.496 -13.326 -0.336 1.00 0.00 H new ATOM 739 N GLN A 44 12.946 -10.587 -0.058 1.00 0.00 N ATOM 740 CA GLN A 44 11.716 -10.012 0.556 1.00 0.00 C ATOM 741 C GLN A 44 10.520 -10.987 0.319 1.00 0.00 C ATOM 742 O GLN A 44 10.073 -11.178 -0.817 1.00 0.00 O ATOM 743 CB GLN A 44 11.513 -8.592 -0.055 1.00 0.00 C ATOM 744 CG GLN A 44 10.415 -7.691 0.582 1.00 0.00 C ATOM 745 CD GLN A 44 8.990 -7.803 0.012 1.00 0.00 C ATOM 746 OE1 GLN A 44 8.347 -8.844 0.037 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.407 -6.738 -0.485 1.00 0.00 N ATOM 0 H GLN A 44 12.911 -10.615 -1.077 1.00 0.00 H new ATOM 0 HA GLN A 44 11.796 -9.899 1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.463 -8.060 0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.280 -8.710 -1.113 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.370 -7.916 1.648 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.735 -6.653 0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.911 -5.852 -0.523 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.450 -6.796 -0.833 1.00 0.00 H new ATOM 756 N ASP A 45 9.982 -11.590 1.392 1.00 0.00 N ATOM 757 CA ASP A 45 8.763 -12.446 1.321 1.00 0.00 C ATOM 758 C ASP A 45 7.631 -11.858 2.231 1.00 0.00 C ATOM 759 O ASP A 45 7.259 -12.469 3.244 1.00 0.00 O ATOM 760 CB ASP A 45 9.236 -13.885 1.681 1.00 0.00 C ATOM 761 CG ASP A 45 8.204 -15.001 1.507 1.00 0.00 C ATOM 762 OD1 ASP A 45 8.318 -15.900 0.679 1.00 0.00 O ATOM 763 OD2 ASP A 45 7.164 -14.887 2.385 1.00 0.00 O ATOM 0 H ASP A 45 10.369 -11.505 2.332 1.00 0.00 H new ATOM 0 HA ASP A 45 8.304 -12.475 0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.104 -14.123 1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.569 -13.886 2.719 1.00 0.00 H new ATOM 769 N GLY A 46 7.063 -10.695 1.855 1.00 0.00 N ATOM 770 CA GLY A 46 5.980 -10.029 2.629 1.00 0.00 C ATOM 771 C GLY A 46 6.436 -9.395 3.961 1.00 0.00 C ATOM 772 O GLY A 46 6.973 -8.284 3.985 1.00 0.00 O ATOM 0 H GLY A 46 7.335 -10.188 1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.532 -9.254 2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.199 -10.760 2.839 1.00 0.00 H new ATOM 776 N ASP A 47 6.237 -10.135 5.060 1.00 0.00 N ATOM 777 CA ASP A 47 6.884 -9.833 6.369 1.00 0.00 C ATOM 778 C ASP A 47 8.325 -10.419 6.555 1.00 0.00 C ATOM 779 O ASP A 47 9.171 -9.734 7.125 1.00 0.00 O ATOM 780 CB ASP A 47 5.921 -10.171 7.541 1.00 0.00 C ATOM 781 CG ASP A 47 5.568 -11.647 7.753 1.00 0.00 C ATOM 782 OD1 ASP A 47 4.820 -12.280 7.015 1.00 0.00 O ATOM 783 OD2 ASP A 47 6.184 -12.181 8.843 1.00 0.00 O ATOM 0 H ASP A 47 5.631 -10.955 5.080 1.00 0.00 H new ATOM 0 HA ASP A 47 7.065 -8.758 6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.365 -9.794 8.462 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.993 -9.621 7.385 1.00 0.00 H new ATOM 789 N HIS A 48 8.629 -11.656 6.122 1.00 0.00 N ATOM 790 CA HIS A 48 9.979 -12.258 6.315 1.00 0.00 C ATOM 791 C HIS A 48 11.017 -11.692 5.295 1.00 0.00 C ATOM 792 O HIS A 48 10.852 -11.819 4.078 1.00 0.00 O ATOM 793 CB HIS A 48 9.864 -13.805 6.291 1.00 0.00 C ATOM 794 CG HIS A 48 11.137 -14.606 6.618 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.333 -15.889 6.130 1.00 0.00 N ATOM 796 CD2 HIS A 48 12.243 -14.208 7.406 1.00 0.00 C ATOM 797 CE1 HIS A 48 12.569 -16.149 6.666 1.00 0.00 C ATOM 798 NE2 HIS A 48 13.192 -15.211 7.444 1.00 0.00 N ATOM 0 H HIS A 48 7.968 -12.263 5.637 1.00 0.00 H new ATOM 0 HA HIS A 48 10.365 -11.975 7.294 1.00 0.00 H new ATOM 0 HB2 HIS A 48 9.088 -14.098 6.999 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.521 -14.104 5.300 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.332 -13.255 7.907 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.051 -17.096 6.474 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.096 -15.243 7.916 1.00 0.00 H new ATOM 806 N MET A 49 12.081 -11.065 5.813 1.00 0.00 N ATOM 807 CA MET A 49 13.089 -10.360 4.990 1.00 0.00 C ATOM 808 C MET A 49 14.530 -10.734 5.446 1.00 0.00 C ATOM 809 O MET A 49 14.850 -10.735 6.642 1.00 0.00 O ATOM 810 CB MET A 49 12.801 -8.848 5.111 1.00 0.00 C ATOM 811 CG MET A 49 13.498 -7.982 4.047 1.00 0.00 C ATOM 812 SD MET A 49 13.144 -6.255 4.385 1.00 0.00 S ATOM 813 CE MET A 49 11.465 -6.083 3.756 1.00 0.00 C ATOM 0 H MET A 49 12.273 -11.029 6.814 1.00 0.00 H new ATOM 0 HA MET A 49 13.024 -10.657 3.943 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.725 -8.689 5.044 1.00 0.00 H new ATOM 0 HB3 MET A 49 13.112 -8.509 6.099 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.574 -8.157 4.063 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.146 -8.252 3.051 1.00 0.00 H new ATOM 0 HE1 MET A 49 10.881 -5.470 4.442 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.491 -5.607 2.776 1.00 0.00 H new ATOM 0 HE3 MET A 49 11.006 -7.068 3.669 1.00 0.00 H new ATOM 823 N ILE A 50 15.400 -11.036 4.470 1.00 0.00 N ATOM 824 CA ILE A 50 16.820 -11.405 4.737 1.00 0.00 C ATOM 825 C ILE A 50 17.708 -10.331 4.033 1.00 0.00 C ATOM 826 O ILE A 50 17.823 -10.322 2.803 1.00 0.00 O ATOM 827 CB ILE A 50 17.148 -12.885 4.316 1.00 0.00 C ATOM 828 CG1 ILE A 50 16.185 -13.960 4.911 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.606 -13.244 4.707 1.00 0.00 C ATOM 830 CD1 ILE A 50 16.216 -15.329 4.208 1.00 0.00 C ATOM 0 H ILE A 50 15.154 -11.035 3.480 1.00 0.00 H new ATOM 0 HA ILE A 50 17.029 -11.399 5.807 1.00 0.00 H new ATOM 0 HB ILE A 50 17.011 -12.910 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.432 -14.104 5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.167 -13.573 4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.820 -14.271 4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.295 -12.569 4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.728 -13.145 5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.513 -16.004 4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.936 -15.207 3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.221 -15.746 4.268 1.00 0.00 H new ATOM 842 N ILE A 51 18.346 -9.444 4.819 1.00 0.00 N ATOM 843 CA ILE A 51 19.288 -8.411 4.292 1.00 0.00 C ATOM 844 C ILE A 51 20.732 -9.009 4.388 1.00 0.00 C ATOM 845 O ILE A 51 21.343 -9.001 5.464 1.00 0.00 O ATOM 846 CB ILE A 51 19.147 -7.045 5.065 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.708 -6.473 5.237 1.00 0.00 C ATOM 848 CG2 ILE A 51 20.079 -5.941 4.500 1.00 0.00 C ATOM 849 CD1 ILE A 51 16.959 -6.044 3.966 1.00 0.00 C ATOM 0 H ILE A 51 18.231 -9.414 5.832 1.00 0.00 H new ATOM 0 HA ILE A 51 19.056 -8.174 3.254 1.00 0.00 H new ATOM 0 HB ILE A 51 19.462 -7.331 6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.105 -7.226 5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.766 -5.610 5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.941 -5.022 5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 51 21.117 -6.265 4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.835 -5.760 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.972 -5.666 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.522 -5.260 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.851 -6.901 3.301 1.00 0.00 H new ATOM 861 N ARG A 52 21.289 -9.520 3.276 1.00 0.00 N ATOM 862 CA ARG A 52 22.673 -10.074 3.261 1.00 0.00 C ATOM 863 C ARG A 52 23.665 -8.961 2.815 1.00 0.00 C ATOM 864 O ARG A 52 23.786 -8.672 1.621 1.00 0.00 O ATOM 865 CB ARG A 52 22.779 -11.331 2.354 1.00 0.00 C ATOM 866 CG ARG A 52 21.827 -12.502 2.690 1.00 0.00 C ATOM 867 CD ARG A 52 22.220 -13.819 1.994 1.00 0.00 C ATOM 868 NE ARG A 52 21.439 -14.976 2.510 1.00 0.00 N ATOM 869 CZ ARG A 52 20.218 -15.327 2.110 1.00 0.00 C ATOM 870 NH1 ARG A 52 19.480 -14.627 1.279 1.00 0.00 N ATOM 871 NH2 ARG A 52 19.717 -16.434 2.586 1.00 0.00 N ATOM 0 H ARG A 52 20.812 -9.565 2.375 1.00 0.00 H new ATOM 0 HA ARG A 52 22.934 -10.399 4.268 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.595 -11.026 1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.804 -11.700 2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.818 -12.657 3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.812 -12.233 2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 52 22.060 -13.723 0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.284 -14.004 2.143 1.00 0.00 H new ATOM 0 HE ARG A 52 21.876 -15.549 3.232 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.835 -13.751 0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.552 -14.959 1.017 1.00 0.00 H new ATOM 0 HH21 ARG A 52 20.258 -16.998 3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.785 -16.735 2.303 1.00 0.00 H new ATOM 885 N THR A 53 24.367 -8.337 3.777 1.00 0.00 N ATOM 886 CA THR A 53 25.380 -7.280 3.483 1.00 0.00 C ATOM 887 C THR A 53 26.756 -7.978 3.252 1.00 0.00 C ATOM 888 O THR A 53 27.418 -8.447 4.187 1.00 0.00 O ATOM 889 CB THR A 53 25.406 -6.209 4.612 1.00 0.00 C ATOM 890 OG1 THR A 53 24.086 -5.773 4.920 1.00 0.00 O ATOM 891 CG2 THR A 53 26.204 -4.946 4.250 1.00 0.00 C ATOM 0 H THR A 53 24.259 -8.539 4.771 1.00 0.00 H new ATOM 0 HA THR A 53 25.122 -6.733 2.576 1.00 0.00 H new ATOM 0 HB THR A 53 25.886 -6.707 5.454 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.121 -5.101 5.633 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.177 -4.246 5.085 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.238 -5.217 4.038 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.764 -4.477 3.370 1.00 0.00 H new ATOM 899 N LEU A 54 27.129 -8.099 1.974 1.00 0.00 N ATOM 900 CA LEU A 54 28.219 -8.989 1.514 1.00 0.00 C ATOM 901 C LEU A 54 29.524 -8.158 1.344 1.00 0.00 C ATOM 902 O LEU A 54 29.626 -7.270 0.489 1.00 0.00 O ATOM 903 CB LEU A 54 27.773 -9.688 0.199 1.00 0.00 C ATOM 904 CG LEU A 54 26.566 -10.664 0.308 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.989 -10.947 -1.088 1.00 0.00 C ATOM 906 CD2 LEU A 54 26.945 -11.990 0.994 1.00 0.00 C ATOM 0 H LEU A 54 26.684 -7.581 1.217 1.00 0.00 H new ATOM 0 HA LEU A 54 28.429 -9.768 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.524 -8.917 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.624 -10.240 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 54 25.813 -10.178 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 54 25.145 -11.631 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.654 -10.013 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.758 -11.398 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 54 26.069 -12.636 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.728 -12.486 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 54 27.307 -11.788 2.002 1.00 0.00 H new ATOM 918 N SER A 55 30.498 -8.446 2.214 1.00 0.00 N ATOM 919 CA SER A 55 31.751 -7.666 2.344 1.00 0.00 C ATOM 920 C SER A 55 32.975 -8.620 2.313 1.00 0.00 C ATOM 921 O SER A 55 32.973 -9.690 2.934 1.00 0.00 O ATOM 922 CB SER A 55 31.682 -6.904 3.689 1.00 0.00 C ATOM 923 OG SER A 55 32.861 -6.135 3.927 1.00 0.00 O ATOM 0 H SER A 55 30.446 -9.235 2.859 1.00 0.00 H new ATOM 0 HA SER A 55 31.861 -6.963 1.518 1.00 0.00 H new ATOM 0 HB2 SER A 55 30.813 -6.246 3.689 1.00 0.00 H new ATOM 0 HB3 SER A 55 31.543 -7.616 4.503 1.00 0.00 H new ATOM 0 HG SER A 55 32.779 -5.667 4.784 1.00 0.00 H new ATOM 929 N THR A 56 34.080 -8.177 1.689 1.00 0.00 N ATOM 930 CA THR A 56 35.363 -8.954 1.668 1.00 0.00 C ATOM 931 C THR A 56 36.181 -8.817 3.012 1.00 0.00 C ATOM 932 O THR A 56 37.345 -8.408 3.031 1.00 0.00 O ATOM 933 CB THR A 56 36.159 -8.555 0.380 1.00 0.00 C ATOM 934 OG1 THR A 56 35.336 -8.571 -0.784 1.00 0.00 O ATOM 935 CG2 THR A 56 37.329 -9.495 0.045 1.00 0.00 C ATOM 0 H THR A 56 34.126 -7.289 1.189 1.00 0.00 H new ATOM 0 HA THR A 56 35.151 -10.022 1.615 1.00 0.00 H new ATOM 0 HB THR A 56 36.528 -7.558 0.621 1.00 0.00 H new ATOM 0 HG1 THR A 56 35.869 -8.315 -1.565 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.827 -9.148 -0.860 1.00 0.00 H new ATOM 0 HG22 THR A 56 38.040 -9.500 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 56 36.951 -10.505 -0.114 1.00 0.00 H new ATOM 943 N PHE A 57 35.543 -9.166 4.147 1.00 0.00 N ATOM 944 CA PHE A 57 36.132 -9.098 5.514 1.00 0.00 C ATOM 945 C PHE A 57 35.191 -9.844 6.520 1.00 0.00 C ATOM 946 O PHE A 57 35.558 -10.906 7.028 1.00 0.00 O ATOM 947 CB PHE A 57 36.485 -7.634 5.941 1.00 0.00 C ATOM 948 CG PHE A 57 37.560 -7.546 7.030 1.00 0.00 C ATOM 949 CD1 PHE A 57 38.911 -7.649 6.677 1.00 0.00 C ATOM 950 CD2 PHE A 57 37.212 -7.340 8.368 1.00 0.00 C ATOM 951 CE1 PHE A 57 39.901 -7.525 7.648 1.00 0.00 C ATOM 952 CE2 PHE A 57 38.205 -7.225 9.338 1.00 0.00 C ATOM 953 CZ PHE A 57 39.547 -7.304 8.976 1.00 0.00 C ATOM 0 H PHE A 57 34.583 -9.511 4.147 1.00 0.00 H new ATOM 0 HA PHE A 57 37.092 -9.613 5.517 1.00 0.00 H new ATOM 0 HB2 PHE A 57 36.824 -7.082 5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 57 35.580 -7.142 6.297 1.00 0.00 H new ATOM 0 HD1 PHE A 57 39.186 -7.825 5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 57 36.172 -7.270 8.650 1.00 0.00 H new ATOM 0 HE1 PHE A 57 40.942 -7.600 7.371 1.00 0.00 H new ATOM 0 HE2 PHE A 57 37.933 -7.074 10.372 1.00 0.00 H new ATOM 0 HZ PHE A 57 40.315 -7.194 9.727 1.00 0.00 H new ATOM 963 N ARG A 58 33.980 -9.310 6.789 1.00 0.00 N ATOM 964 CA ARG A 58 32.942 -9.987 7.611 1.00 0.00 C ATOM 965 C ARG A 58 31.551 -9.837 6.909 1.00 0.00 C ATOM 966 O ARG A 58 31.027 -8.727 6.782 1.00 0.00 O ATOM 967 CB ARG A 58 32.991 -9.387 9.048 1.00 0.00 C ATOM 968 CG ARG A 58 31.965 -9.936 10.069 1.00 0.00 C ATOM 969 CD ARG A 58 32.081 -11.442 10.370 1.00 0.00 C ATOM 970 NE ARG A 58 30.978 -11.805 11.289 1.00 0.00 N ATOM 971 CZ ARG A 58 30.547 -13.041 11.530 1.00 0.00 C ATOM 972 NH1 ARG A 58 31.067 -14.129 11.001 1.00 0.00 N ATOM 973 NH2 ARG A 58 29.541 -13.180 12.349 1.00 0.00 N ATOM 0 H ARG A 58 33.690 -8.395 6.443 1.00 0.00 H new ATOM 0 HA ARG A 58 33.124 -11.058 7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 58 33.991 -9.550 9.450 1.00 0.00 H new ATOM 0 HB3 ARG A 58 32.850 -8.309 8.971 1.00 0.00 H new ATOM 0 HG2 ARG A 58 32.076 -9.385 11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 58 30.961 -9.733 9.696 1.00 0.00 H new ATOM 0 HD2 ARG A 58 32.018 -12.022 9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 58 33.046 -11.668 10.823 1.00 0.00 H new ATOM 0 HE ARG A 58 30.509 -11.043 11.779 1.00 0.00 H new ATOM 0 HH11 ARG A 58 31.855 -14.057 10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 58 30.681 -15.044 11.234 1.00 0.00 H new ATOM 0 HH21 ARG A 58 29.115 -12.358 12.778 1.00 0.00 H new ATOM 0 HH22 ARG A 58 29.180 -14.110 12.560 1.00 0.00 H new ATOM 987 N ASN A 59 30.945 -10.959 6.476 1.00 0.00 N ATOM 988 CA ASN A 59 29.606 -10.953 5.812 1.00 0.00 C ATOM 989 C ASN A 59 28.446 -10.942 6.861 1.00 0.00 C ATOM 990 O ASN A 59 28.375 -11.800 7.746 1.00 0.00 O ATOM 991 CB ASN A 59 29.476 -12.181 4.871 1.00 0.00 C ATOM 992 CG ASN A 59 30.389 -12.161 3.640 1.00 0.00 C ATOM 993 OD1 ASN A 59 30.249 -11.330 2.751 1.00 0.00 O ATOM 994 ND2 ASN A 59 31.341 -13.056 3.536 1.00 0.00 N ATOM 0 H ASN A 59 31.354 -11.889 6.570 1.00 0.00 H new ATOM 0 HA ASN A 59 29.524 -10.040 5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 59 29.688 -13.083 5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 59 28.442 -12.253 4.535 1.00 0.00 H new ATOM 0 HD21 ASN A 59 31.955 -13.055 2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 59 31.468 -13.753 4.270 1.00 0.00 H new ATOM 1001 N TYR A 60 27.541 -9.957 6.755 1.00 0.00 N ATOM 1002 CA TYR A 60 26.521 -9.669 7.802 1.00 0.00 C ATOM 1003 C TYR A 60 25.085 -10.034 7.293 1.00 0.00 C ATOM 1004 O TYR A 60 24.493 -9.324 6.474 1.00 0.00 O ATOM 1005 CB TYR A 60 26.747 -8.184 8.211 1.00 0.00 C ATOM 1006 CG TYR A 60 25.791 -7.611 9.269 1.00 0.00 C ATOM 1007 CD1 TYR A 60 26.021 -7.819 10.633 1.00 0.00 C ATOM 1008 CD2 TYR A 60 24.683 -6.858 8.867 1.00 0.00 C ATOM 1009 CE1 TYR A 60 25.145 -7.289 11.579 1.00 0.00 C ATOM 1010 CE2 TYR A 60 23.810 -6.332 9.814 1.00 0.00 C ATOM 1011 CZ TYR A 60 24.034 -6.560 11.170 1.00 0.00 C ATOM 1012 OH TYR A 60 23.146 -6.086 12.097 1.00 0.00 O ATOM 0 H TYR A 60 27.487 -9.334 5.949 1.00 0.00 H new ATOM 0 HA TYR A 60 26.622 -10.285 8.695 1.00 0.00 H new ATOM 0 HB2 TYR A 60 27.767 -8.084 8.583 1.00 0.00 H new ATOM 0 HB3 TYR A 60 26.673 -7.568 7.315 1.00 0.00 H new ATOM 0 HD1 TYR A 60 26.879 -8.391 10.954 1.00 0.00 H new ATOM 0 HD2 TYR A 60 24.504 -6.684 7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 60 25.330 -7.445 12.632 1.00 0.00 H new ATOM 0 HE2 TYR A 60 22.959 -5.747 9.498 1.00 0.00 H new ATOM 0 HH TYR A 60 22.428 -5.597 11.643 1.00 0.00 H new ATOM 1022 N ILE A 61 24.530 -11.149 7.804 1.00 0.00 N ATOM 1023 CA ILE A 61 23.155 -11.626 7.457 1.00 0.00 C ATOM 1024 C ILE A 61 22.151 -11.057 8.523 1.00 0.00 C ATOM 1025 O ILE A 61 22.189 -11.447 9.694 1.00 0.00 O ATOM 1026 CB ILE A 61 23.144 -13.201 7.322 1.00 0.00 C ATOM 1027 CG1 ILE A 61 23.806 -13.774 6.028 1.00 0.00 C ATOM 1028 CG2 ILE A 61 21.715 -13.816 7.362 1.00 0.00 C ATOM 1029 CD1 ILE A 61 25.304 -13.519 5.799 1.00 0.00 C ATOM 0 H ILE A 61 25.012 -11.753 8.470 1.00 0.00 H new ATOM 0 HA ILE A 61 22.833 -11.254 6.484 1.00 0.00 H new ATOM 0 HB ILE A 61 23.736 -13.485 8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.648 -14.853 6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.266 -13.370 5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.782 -14.900 7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.238 -13.566 8.310 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.123 -13.414 6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.612 -13.979 4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 61 25.488 -12.446 5.754 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.876 -13.951 6.620 1.00 0.00 H new ATOM 1041 N MET A 62 21.217 -10.188 8.096 1.00 0.00 N ATOM 1042 CA MET A 62 20.143 -9.642 8.975 1.00 0.00 C ATOM 1043 C MET A 62 18.775 -10.299 8.582 1.00 0.00 C ATOM 1044 O MET A 62 18.067 -9.816 7.692 1.00 0.00 O ATOM 1045 CB MET A 62 20.184 -8.080 8.876 1.00 0.00 C ATOM 1046 CG MET A 62 20.327 -7.326 10.212 1.00 0.00 C ATOM 1047 SD MET A 62 18.724 -7.118 11.008 1.00 0.00 S ATOM 1048 CE MET A 62 18.447 -5.359 10.716 1.00 0.00 C ATOM 0 H MET A 62 21.177 -9.840 7.138 1.00 0.00 H new ATOM 0 HA MET A 62 20.290 -9.889 10.026 1.00 0.00 H new ATOM 0 HB2 MET A 62 21.016 -7.798 8.231 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.271 -7.742 8.386 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.998 -7.874 10.874 1.00 0.00 H new ATOM 0 HG3 MET A 62 20.780 -6.350 10.037 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.491 -5.065 11.148 1.00 0.00 H new ATOM 0 HE2 MET A 62 19.248 -4.783 11.180 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.435 -5.166 9.643 1.00 0.00 H new ATOM 1058 N ASP A 63 18.424 -11.428 9.230 1.00 0.00 N ATOM 1059 CA ASP A 63 17.207 -12.226 8.919 1.00 0.00 C ATOM 1060 C ASP A 63 16.051 -11.987 9.947 1.00 0.00 C ATOM 1061 O ASP A 63 16.221 -12.231 11.146 1.00 0.00 O ATOM 1062 CB ASP A 63 17.641 -13.713 8.791 1.00 0.00 C ATOM 1063 CG ASP A 63 18.229 -14.415 10.022 1.00 0.00 C ATOM 1064 OD1 ASP A 63 19.354 -14.192 10.457 1.00 0.00 O ATOM 1065 OD2 ASP A 63 17.369 -15.316 10.571 1.00 0.00 O ATOM 0 H ASP A 63 18.978 -11.820 9.991 1.00 0.00 H new ATOM 0 HA ASP A 63 16.774 -11.902 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.771 -14.285 8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.379 -13.775 7.991 1.00 0.00 H new ATOM 1071 N PHE A 64 14.882 -11.494 9.490 1.00 0.00 N ATOM 1072 CA PHE A 64 13.828 -10.962 10.408 1.00 0.00 C ATOM 1073 C PHE A 64 12.385 -10.946 9.809 1.00 0.00 C ATOM 1074 O PHE A 64 12.183 -10.798 8.601 1.00 0.00 O ATOM 1075 CB PHE A 64 14.219 -9.539 10.920 1.00 0.00 C ATOM 1076 CG PHE A 64 14.474 -8.435 9.870 1.00 0.00 C ATOM 1077 CD1 PHE A 64 13.417 -7.739 9.272 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.785 -8.161 9.474 1.00 0.00 C ATOM 1079 CE1 PHE A 64 13.674 -6.815 8.262 1.00 0.00 C ATOM 1080 CE2 PHE A 64 16.038 -7.226 8.477 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.983 -6.555 7.867 1.00 0.00 C ATOM 0 H PHE A 64 14.636 -11.449 8.501 1.00 0.00 H new ATOM 0 HA PHE A 64 13.789 -11.665 11.240 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.426 -9.193 11.582 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.120 -9.638 11.526 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.402 -7.919 9.594 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.607 -8.679 9.945 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.855 -6.299 7.784 1.00 0.00 H new ATOM 0 HE2 PHE A 64 17.055 -7.020 8.176 1.00 0.00 H new ATOM 0 HZ PHE A 64 15.179 -5.833 7.088 1.00 0.00 H new ATOM 1091 N GLN A 65 11.373 -10.991 10.691 1.00 0.00 N ATOM 1092 CA GLN A 65 9.961 -10.686 10.335 1.00 0.00 C ATOM 1093 C GLN A 65 9.642 -9.178 10.598 1.00 0.00 C ATOM 1094 O GLN A 65 9.736 -8.691 11.731 1.00 0.00 O ATOM 1095 CB GLN A 65 9.014 -11.621 11.139 1.00 0.00 C ATOM 1096 CG GLN A 65 8.941 -13.101 10.668 1.00 0.00 C ATOM 1097 CD GLN A 65 10.116 -14.003 11.083 1.00 0.00 C ATOM 1098 OE1 GLN A 65 10.786 -13.808 12.093 1.00 0.00 O ATOM 1099 NE2 GLN A 65 10.398 -15.038 10.332 1.00 0.00 N ATOM 0 H GLN A 65 11.502 -11.239 11.672 1.00 0.00 H new ATOM 0 HA GLN A 65 9.805 -10.868 9.272 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.328 -11.610 12.183 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.009 -11.201 11.104 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.020 -13.538 11.054 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.868 -13.112 9.580 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.854 -15.219 9.488 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.161 -15.663 10.591 1.00 0.00 H new ATOM 1108 N VAL A 66 9.216 -8.451 9.549 1.00 0.00 N ATOM 1109 CA VAL A 66 8.763 -7.030 9.640 1.00 0.00 C ATOM 1110 C VAL A 66 7.439 -6.943 10.483 1.00 0.00 C ATOM 1111 O VAL A 66 6.443 -7.611 10.188 1.00 0.00 O ATOM 1112 CB VAL A 66 8.611 -6.410 8.204 1.00 0.00 C ATOM 1113 CG1 VAL A 66 8.262 -4.905 8.238 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.856 -6.527 7.291 1.00 0.00 C ATOM 0 H VAL A 66 9.172 -8.826 8.602 1.00 0.00 H new ATOM 0 HA VAL A 66 9.516 -6.437 10.159 1.00 0.00 H new ATOM 0 HB VAL A 66 7.803 -7.013 7.790 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.169 -4.530 7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.318 -4.762 8.765 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.052 -4.360 8.755 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.644 -6.068 6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.699 -6.017 7.758 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.104 -7.579 7.146 1.00 0.00 H new ATOM 1124 N GLY A 67 7.482 -6.163 11.571 1.00 0.00 N ATOM 1125 CA GLY A 67 6.516 -6.277 12.698 1.00 0.00 C ATOM 1126 C GLY A 67 7.124 -6.671 14.068 1.00 0.00 C ATOM 1127 O GLY A 67 6.708 -6.123 15.091 1.00 0.00 O ATOM 0 H GLY A 67 8.182 -5.433 11.705 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.003 -5.322 12.810 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.760 -7.016 12.431 1.00 0.00 H new ATOM 1131 N LYS A 68 8.060 -7.638 14.111 1.00 0.00 N ATOM 1132 CA LYS A 68 8.624 -8.172 15.382 1.00 0.00 C ATOM 1133 C LYS A 68 9.777 -7.293 15.973 1.00 0.00 C ATOM 1134 O LYS A 68 10.621 -6.765 15.240 1.00 0.00 O ATOM 1135 CB LYS A 68 9.137 -9.625 15.159 1.00 0.00 C ATOM 1136 CG LYS A 68 8.085 -10.675 14.726 1.00 0.00 C ATOM 1137 CD LYS A 68 8.577 -12.127 14.929 1.00 0.00 C ATOM 1138 CE LYS A 68 7.601 -13.210 14.436 1.00 0.00 C ATOM 1139 NZ LYS A 68 6.422 -13.338 15.316 1.00 0.00 N ATOM 0 H LYS A 68 8.450 -8.074 13.275 1.00 0.00 H new ATOM 0 HA LYS A 68 7.814 -8.156 16.111 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.921 -9.597 14.402 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.600 -9.968 16.084 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.169 -10.523 15.296 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.836 -10.523 13.676 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.528 -12.250 14.410 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.770 -12.286 15.990 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.273 -12.969 13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.119 -14.168 14.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.792 -14.078 14.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.731 -13.594 16.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.912 -12.432 15.347 1.00 0.00 H new ATOM 1152 N GLU A 69 9.849 -7.210 17.317 1.00 0.00 N ATOM 1153 CA GLU A 69 11.032 -6.647 18.027 1.00 0.00 C ATOM 1154 C GLU A 69 12.054 -7.788 18.354 1.00 0.00 C ATOM 1155 O GLU A 69 11.891 -8.539 19.321 1.00 0.00 O ATOM 1156 CB GLU A 69 10.531 -5.851 19.260 1.00 0.00 C ATOM 1157 CG GLU A 69 11.635 -4.998 19.934 1.00 0.00 C ATOM 1158 CD GLU A 69 11.112 -4.062 21.019 1.00 0.00 C ATOM 1159 OE1 GLU A 69 10.551 -2.994 20.790 1.00 0.00 O ATOM 1160 OE2 GLU A 69 11.342 -4.541 22.273 1.00 0.00 O ATOM 0 H GLU A 69 9.105 -7.524 17.939 1.00 0.00 H new ATOM 0 HA GLU A 69 11.583 -5.944 17.402 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.714 -5.198 18.954 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.124 -6.548 19.992 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.380 -5.663 20.369 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.142 -4.407 19.171 1.00 0.00 H new ATOM 1168 N PHE A 70 13.084 -7.935 17.508 1.00 0.00 N ATOM 1169 CA PHE A 70 14.021 -9.098 17.527 1.00 0.00 C ATOM 1170 C PHE A 70 15.439 -8.734 18.077 1.00 0.00 C ATOM 1171 O PHE A 70 15.913 -7.611 17.896 1.00 0.00 O ATOM 1172 CB PHE A 70 14.065 -9.714 16.091 1.00 0.00 C ATOM 1173 CG PHE A 70 14.713 -8.868 14.971 1.00 0.00 C ATOM 1174 CD1 PHE A 70 13.942 -7.951 14.249 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.085 -8.964 14.710 1.00 0.00 C ATOM 1176 CE1 PHE A 70 14.540 -7.119 13.308 1.00 0.00 C ATOM 1177 CE2 PHE A 70 16.680 -8.138 13.760 1.00 0.00 C ATOM 1178 CZ PHE A 70 15.907 -7.215 13.062 1.00 0.00 C ATOM 0 H PHE A 70 13.303 -7.253 16.782 1.00 0.00 H new ATOM 0 HA PHE A 70 13.649 -9.845 18.228 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.599 -10.662 16.148 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.042 -9.942 15.791 1.00 0.00 H new ATOM 0 HD1 PHE A 70 12.878 -7.889 14.423 1.00 0.00 H new ATOM 0 HD2 PHE A 70 16.685 -9.683 15.248 1.00 0.00 H new ATOM 0 HE1 PHE A 70 13.944 -6.398 12.768 1.00 0.00 H new ATOM 0 HE2 PHE A 70 17.740 -8.214 13.565 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.369 -6.572 12.328 1.00 0.00 H new ATOM 1188 N GLU A 71 16.162 -9.696 18.681 1.00 0.00 N ATOM 1189 CA GLU A 71 17.601 -9.502 19.036 1.00 0.00 C ATOM 1190 C GLU A 71 18.556 -9.630 17.802 1.00 0.00 C ATOM 1191 O GLU A 71 18.431 -10.573 17.015 1.00 0.00 O ATOM 1192 CB GLU A 71 18.012 -10.436 20.210 1.00 0.00 C ATOM 1193 CG GLU A 71 18.007 -11.971 19.971 1.00 0.00 C ATOM 1194 CD GLU A 71 18.678 -12.774 21.084 1.00 0.00 C ATOM 1195 OE1 GLU A 71 19.742 -13.369 20.940 1.00 0.00 O ATOM 1196 OE2 GLU A 71 17.963 -12.743 22.247 1.00 0.00 O ATOM 0 H GLU A 71 15.788 -10.610 18.936 1.00 0.00 H new ATOM 0 HA GLU A 71 17.713 -8.474 19.379 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.017 -10.152 20.523 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.346 -10.229 21.048 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.976 -12.309 19.864 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.512 -12.184 19.028 1.00 0.00 H new ATOM 1204 N GLU A 72 19.536 -8.716 17.654 1.00 0.00 N ATOM 1205 CA GLU A 72 20.560 -8.815 16.566 1.00 0.00 C ATOM 1206 C GLU A 72 21.580 -9.981 16.794 1.00 0.00 C ATOM 1207 O GLU A 72 21.515 -10.975 16.068 1.00 0.00 O ATOM 1208 CB GLU A 72 21.213 -7.427 16.305 1.00 0.00 C ATOM 1209 CG GLU A 72 20.285 -6.421 15.574 1.00 0.00 C ATOM 1210 CD GLU A 72 20.887 -5.039 15.335 1.00 0.00 C ATOM 1211 OE1 GLU A 72 20.509 -4.024 15.910 1.00 0.00 O ATOM 1212 OE2 GLU A 72 21.867 -5.059 14.385 1.00 0.00 O ATOM 0 H GLU A 72 19.649 -7.905 18.262 1.00 0.00 H new ATOM 0 HA GLU A 72 20.053 -9.095 15.643 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.520 -6.996 17.258 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.117 -7.568 15.713 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.000 -6.847 14.612 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.370 -6.306 16.156 1.00 0.00 H new ATOM 1363 N CYS A 82 20.453 -6.637 20.553 1.00 0.00 N ATOM 1364 CA CYS A 82 19.736 -5.340 20.437 1.00 0.00 C ATOM 1365 C CYS A 82 18.270 -5.530 19.952 1.00 0.00 C ATOM 1366 O CYS A 82 18.028 -6.009 18.838 1.00 0.00 O ATOM 1367 CB CYS A 82 20.527 -4.434 19.477 1.00 0.00 C ATOM 1368 SG CYS A 82 22.179 -4.068 20.145 1.00 0.00 S ATOM 0 HA CYS A 82 19.674 -4.874 21.421 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.622 -4.921 18.506 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.981 -3.504 19.315 1.00 0.00 H new ATOM 0 HG CYS A 82 22.824 -3.304 19.314 1.00 0.00 H new ATOM 1374 N MET A 83 17.312 -5.118 20.797 1.00 0.00 N ATOM 1375 CA MET A 83 15.849 -5.264 20.553 1.00 0.00 C ATOM 1376 C MET A 83 15.368 -4.348 19.387 1.00 0.00 C ATOM 1377 O MET A 83 15.140 -3.146 19.548 1.00 0.00 O ATOM 1378 CB MET A 83 15.116 -4.949 21.891 1.00 0.00 C ATOM 1379 CG MET A 83 15.081 -6.097 22.918 1.00 0.00 C ATOM 1380 SD MET A 83 13.935 -7.382 22.371 1.00 0.00 S ATOM 1381 CE MET A 83 15.072 -8.744 22.073 1.00 0.00 C ATOM 0 H MET A 83 17.525 -4.666 21.686 1.00 0.00 H new ATOM 0 HA MET A 83 15.617 -6.281 20.238 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.596 -4.087 22.353 1.00 0.00 H new ATOM 0 HB3 MET A 83 14.091 -4.658 21.663 1.00 0.00 H new ATOM 0 HG2 MET A 83 16.079 -6.517 23.040 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.774 -5.715 23.892 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.514 -9.615 21.729 1.00 0.00 H new ATOM 0 HE2 MET A 83 15.797 -8.453 21.313 1.00 0.00 H new ATOM 0 HE3 MET A 83 15.595 -8.990 22.997 1.00 0.00 H new ATOM 1391 N THR A 84 15.286 -4.929 18.187 1.00 0.00 N ATOM 1392 CA THR A 84 15.217 -4.157 16.924 1.00 0.00 C ATOM 1393 C THR A 84 13.812 -4.337 16.299 1.00 0.00 C ATOM 1394 O THR A 84 13.423 -5.448 15.929 1.00 0.00 O ATOM 1395 CB THR A 84 16.368 -4.609 15.981 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.627 -4.425 16.626 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.417 -3.802 14.674 1.00 0.00 C ATOM 0 H THR A 84 15.265 -5.940 18.054 1.00 0.00 H new ATOM 0 HA THR A 84 15.356 -3.091 17.105 1.00 0.00 H new ATOM 0 HB THR A 84 16.175 -5.657 15.750 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.663 -4.975 17.436 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.240 -4.161 14.055 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.477 -3.925 14.135 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.569 -2.747 14.903 1.00 0.00 H new ATOM 1405 N THR A 85 13.069 -3.235 16.160 1.00 0.00 N ATOM 1406 CA THR A 85 11.730 -3.256 15.510 1.00 0.00 C ATOM 1407 C THR A 85 11.881 -2.710 14.063 1.00 0.00 C ATOM 1408 O THR A 85 12.243 -1.544 13.876 1.00 0.00 O ATOM 1409 CB THR A 85 10.718 -2.424 16.343 1.00 0.00 C ATOM 1410 OG1 THR A 85 10.595 -2.957 17.657 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.295 -2.417 15.759 1.00 0.00 C ATOM 0 H THR A 85 13.360 -2.313 16.484 1.00 0.00 H new ATOM 0 HA THR A 85 11.341 -4.273 15.463 1.00 0.00 H new ATOM 0 HB THR A 85 11.120 -1.411 16.335 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.955 -2.420 18.169 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.644 -1.816 16.394 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.316 -1.992 14.755 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.916 -3.438 15.713 1.00 0.00 H new ATOM 1419 N VAL A 86 11.557 -3.542 13.061 1.00 0.00 N ATOM 1420 CA VAL A 86 11.482 -3.103 11.635 1.00 0.00 C ATOM 1421 C VAL A 86 9.975 -3.086 11.232 1.00 0.00 C ATOM 1422 O VAL A 86 9.294 -4.105 11.355 1.00 0.00 O ATOM 1423 CB VAL A 86 12.362 -3.997 10.696 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.321 -3.514 9.228 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.853 -4.034 11.095 1.00 0.00 C ATOM 0 H VAL A 86 11.340 -4.529 13.200 1.00 0.00 H new ATOM 0 HA VAL A 86 11.898 -2.102 11.521 1.00 0.00 H new ATOM 0 HB VAL A 86 11.925 -4.990 10.802 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.945 -4.163 8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.294 -3.546 8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.694 -2.492 9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.400 -4.672 10.401 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.264 -3.025 11.061 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.950 -4.431 12.105 1.00 0.00 H new ATOM 1435 N SER A 87 9.466 -1.947 10.733 1.00 0.00 N ATOM 1436 CA SER A 87 8.033 -1.775 10.360 1.00 0.00 C ATOM 1437 C SER A 87 7.882 -1.166 8.928 1.00 0.00 C ATOM 1438 O SER A 87 8.727 -0.396 8.451 1.00 0.00 O ATOM 1439 CB SER A 87 7.342 -0.885 11.424 1.00 0.00 C ATOM 1440 OG SER A 87 7.238 -1.566 12.677 1.00 0.00 O ATOM 0 H SER A 87 10.030 -1.112 10.573 1.00 0.00 H new ATOM 0 HA SER A 87 7.551 -2.752 10.336 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.908 0.037 11.554 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.348 -0.603 11.077 1.00 0.00 H new ATOM 0 HG SER A 87 6.800 -0.982 13.331 1.00 0.00 H new ATOM 1446 N TRP A 88 6.768 -1.485 8.241 1.00 0.00 N ATOM 1447 CA TRP A 88 6.467 -0.915 6.898 1.00 0.00 C ATOM 1448 C TRP A 88 5.787 0.490 6.977 1.00 0.00 C ATOM 1449 O TRP A 88 4.642 0.620 7.420 1.00 0.00 O ATOM 1450 CB TRP A 88 5.560 -1.887 6.086 1.00 0.00 C ATOM 1451 CG TRP A 88 6.260 -3.073 5.414 1.00 0.00 C ATOM 1452 CD1 TRP A 88 5.962 -4.441 5.610 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.195 -3.038 4.395 1.00 0.00 C ATOM 1454 NE1 TRP A 88 6.719 -5.270 4.757 1.00 0.00 N ATOM 1455 CE2 TRP A 88 7.464 -4.378 4.007 1.00 0.00 C ATOM 1456 CE3 TRP A 88 7.786 -1.950 3.688 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.313 -4.642 2.912 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 8.623 -2.243 2.614 1.00 0.00 C ATOM 1459 CH2 TRP A 88 8.883 -3.567 2.233 1.00 0.00 C ATOM 0 H TRP A 88 6.059 -2.132 8.586 1.00 0.00 H new ATOM 0 HA TRP A 88 7.424 -0.789 6.392 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.793 -2.278 6.755 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.047 -1.312 5.315 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.242 -4.807 6.327 1.00 0.00 H new ATOM 0 HE1 TRP A 88 6.718 -6.289 4.705 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.590 -0.928 3.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.517 -5.657 2.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.081 -1.434 2.064 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.538 -3.758 1.396 1.00 0.00 H new ATOM 1470 N ASP A 89 6.465 1.523 6.454 1.00 0.00 N ATOM 1471 CA ASP A 89 5.832 2.825 6.098 1.00 0.00 C ATOM 1472 C ASP A 89 5.647 2.922 4.540 1.00 0.00 C ATOM 1473 O ASP A 89 6.286 3.738 3.867 1.00 0.00 O ATOM 1474 CB ASP A 89 6.749 3.898 6.754 1.00 0.00 C ATOM 1475 CG ASP A 89 6.357 5.363 6.580 1.00 0.00 C ATOM 1476 OD1 ASP A 89 7.148 6.236 6.237 1.00 0.00 O ATOM 1477 OD2 ASP A 89 5.048 5.598 6.873 1.00 0.00 O ATOM 0 H ASP A 89 7.466 1.491 6.262 1.00 0.00 H new ATOM 0 HA ASP A 89 4.818 2.963 6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.800 3.688 7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.755 3.770 6.355 1.00 0.00 H new ATOM 1483 N GLY A 90 4.784 2.056 3.963 1.00 0.00 N ATOM 1484 CA GLY A 90 4.615 1.923 2.486 1.00 0.00 C ATOM 1485 C GLY A 90 5.896 1.553 1.698 1.00 0.00 C ATOM 1486 O GLY A 90 6.489 0.495 1.915 1.00 0.00 O ATOM 0 H GLY A 90 4.184 1.429 4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.858 1.163 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.229 2.865 2.096 1.00 0.00 H new ATOM 1490 N ASP A 91 6.362 2.476 0.846 1.00 0.00 N ATOM 1491 CA ASP A 91 7.709 2.390 0.196 1.00 0.00 C ATOM 1492 C ASP A 91 8.962 2.391 1.149 1.00 0.00 C ATOM 1493 O ASP A 91 10.008 1.853 0.772 1.00 0.00 O ATOM 1494 CB ASP A 91 7.848 3.563 -0.818 1.00 0.00 C ATOM 1495 CG ASP A 91 6.884 3.563 -2.008 1.00 0.00 C ATOM 1496 OD1 ASP A 91 5.701 3.878 -1.927 1.00 0.00 O ATOM 1497 OD2 ASP A 91 7.490 3.200 -3.170 1.00 0.00 O ATOM 0 H ASP A 91 5.832 3.305 0.579 1.00 0.00 H new ATOM 0 HA ASP A 91 7.726 1.407 -0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.718 4.499 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.867 3.558 -1.206 1.00 0.00 H new ATOM 1503 N LYS A 92 8.871 3.016 2.339 1.00 0.00 N ATOM 1504 CA LYS A 92 9.985 3.114 3.311 1.00 0.00 C ATOM 1505 C LYS A 92 9.910 1.958 4.346 1.00 0.00 C ATOM 1506 O LYS A 92 8.952 1.825 5.112 1.00 0.00 O ATOM 1507 CB LYS A 92 9.919 4.497 4.018 1.00 0.00 C ATOM 1508 CG LYS A 92 10.412 5.676 3.154 1.00 0.00 C ATOM 1509 CD LYS A 92 10.285 7.039 3.862 1.00 0.00 C ATOM 1510 CE LYS A 92 10.823 8.216 3.028 1.00 0.00 C ATOM 1511 NZ LYS A 92 12.301 8.247 3.002 1.00 0.00 N ATOM 0 H LYS A 92 8.016 3.472 2.658 1.00 0.00 H new ATOM 0 HA LYS A 92 10.936 3.024 2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.889 4.689 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.516 4.455 4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 92 11.455 5.509 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.842 5.701 2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.237 7.221 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.823 6.999 4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.444 8.141 2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.448 9.153 3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.621 9.013 2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.662 8.412 3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.661 7.338 2.649 1.00 0.00 H new ATOM 1524 N LEU A 93 10.971 1.151 4.406 1.00 0.00 N ATOM 1525 CA LEU A 93 11.168 0.160 5.487 1.00 0.00 C ATOM 1526 C LEU A 93 11.889 0.853 6.690 1.00 0.00 C ATOM 1527 O LEU A 93 13.072 1.205 6.605 1.00 0.00 O ATOM 1528 CB LEU A 93 11.953 -1.001 4.832 1.00 0.00 C ATOM 1529 CG LEU A 93 12.172 -2.249 5.712 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.855 -2.998 5.983 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.187 -3.171 5.024 1.00 0.00 C ATOM 0 H LEU A 93 11.720 1.159 3.714 1.00 0.00 H new ATOM 0 HA LEU A 93 10.247 -0.239 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.425 -1.306 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.927 -0.625 4.521 1.00 0.00 H new ATOM 0 HG LEU A 93 12.558 -1.929 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.054 -3.870 6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.159 -2.336 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.418 -3.320 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.349 -4.057 5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.803 -3.471 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.131 -2.641 4.895 1.00 0.00 H new ATOM 1543 N GLN A 94 11.142 1.100 7.779 1.00 0.00 N ATOM 1544 CA GLN A 94 11.629 1.895 8.941 1.00 0.00 C ATOM 1545 C GLN A 94 12.120 0.977 10.095 1.00 0.00 C ATOM 1546 O GLN A 94 11.407 0.054 10.497 1.00 0.00 O ATOM 1547 CB GLN A 94 10.484 2.806 9.465 1.00 0.00 C ATOM 1548 CG GLN A 94 10.142 4.009 8.565 1.00 0.00 C ATOM 1549 CD GLN A 94 11.234 5.081 8.489 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.369 4.979 8.947 1.00 0.00 O ATOM 1551 NE2 GLN A 94 10.938 6.136 7.805 1.00 0.00 N ATOM 0 H GLN A 94 10.186 0.760 7.888 1.00 0.00 H new ATOM 0 HA GLN A 94 12.470 2.501 8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.587 2.200 9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.759 3.177 10.452 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.937 3.646 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.224 4.470 8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.002 6.244 7.414 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.640 6.861 7.656 1.00 0.00 H new ATOM 1560 N CYS A 95 13.303 1.257 10.660 1.00 0.00 N ATOM 1561 CA CYS A 95 13.889 0.450 11.756 1.00 0.00 C ATOM 1562 C CYS A 95 14.309 1.335 12.960 1.00 0.00 C ATOM 1563 O CYS A 95 14.994 2.349 12.787 1.00 0.00 O ATOM 1564 CB CYS A 95 15.098 -0.311 11.185 1.00 0.00 C ATOM 1565 SG CYS A 95 15.747 -1.536 12.379 1.00 0.00 S ATOM 0 H CYS A 95 13.884 2.046 10.376 1.00 0.00 H new ATOM 0 HA CYS A 95 13.143 -0.249 12.134 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.808 -0.817 10.264 1.00 0.00 H new ATOM 0 HB3 CYS A 95 15.885 0.397 10.925 1.00 0.00 H new ATOM 0 HG CYS A 95 16.900 -1.974 11.968 1.00 0.00 H new ATOM 1571 N VAL A 96 13.972 0.895 14.184 1.00 0.00 N ATOM 1572 CA VAL A 96 14.576 1.433 15.441 1.00 0.00 C ATOM 1573 C VAL A 96 15.387 0.300 16.168 1.00 0.00 C ATOM 1574 O VAL A 96 14.877 -0.803 16.389 1.00 0.00 O ATOM 1575 CB VAL A 96 13.498 2.150 16.327 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.361 1.251 16.865 1.00 0.00 C ATOM 1577 CG2 VAL A 96 14.121 2.916 17.515 1.00 0.00 C ATOM 0 H VAL A 96 13.280 0.163 14.343 1.00 0.00 H new ATOM 0 HA VAL A 96 15.298 2.216 15.207 1.00 0.00 H new ATOM 0 HB VAL A 96 13.044 2.844 15.620 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.675 1.851 17.463 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.821 0.808 16.028 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.785 0.460 17.483 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.331 3.393 18.095 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.667 2.219 18.151 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.805 3.677 17.139 1.00 0.00 H new ATOM 1587 N GLN A 97 16.653 0.579 16.529 1.00 0.00 N ATOM 1588 CA GLN A 97 17.560 -0.408 17.189 1.00 0.00 C ATOM 1589 C GLN A 97 17.733 -0.061 18.705 1.00 0.00 C ATOM 1590 O GLN A 97 18.407 0.916 19.050 1.00 0.00 O ATOM 1591 CB GLN A 97 18.931 -0.376 16.460 1.00 0.00 C ATOM 1592 CG GLN A 97 18.989 -0.980 15.034 1.00 0.00 C ATOM 1593 CD GLN A 97 20.348 -0.841 14.329 1.00 0.00 C ATOM 1594 OE1 GLN A 97 21.054 0.159 14.420 1.00 0.00 O ATOM 1595 NE2 GLN A 97 20.776 -1.837 13.597 1.00 0.00 N ATOM 0 H GLN A 97 17.086 1.490 16.376 1.00 0.00 H new ATOM 0 HA GLN A 97 17.132 -1.408 17.125 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.258 0.662 16.401 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.656 -0.904 17.080 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.732 -2.038 15.092 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.227 -0.500 14.420 1.00 0.00 H new ATOM 0 HE21 GLN A 97 20.211 -2.681 13.503 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.675 -1.770 13.120 1.00 0.00 H new ATOM 1604 N LYS A 98 17.144 -0.855 19.618 1.00 0.00 N ATOM 1605 CA LYS A 98 17.152 -0.541 21.080 1.00 0.00 C ATOM 1606 C LYS A 98 18.231 -1.392 21.825 1.00 0.00 C ATOM 1607 O LYS A 98 18.165 -2.625 21.853 1.00 0.00 O ATOM 1608 CB LYS A 98 15.745 -0.774 21.694 1.00 0.00 C ATOM 1609 CG LYS A 98 14.571 0.003 21.050 1.00 0.00 C ATOM 1610 CD LYS A 98 13.216 -0.323 21.711 1.00 0.00 C ATOM 1611 CE LYS A 98 11.995 0.262 20.976 1.00 0.00 C ATOM 1612 NZ LYS A 98 11.910 1.732 21.108 1.00 0.00 N ATOM 0 H LYS A 98 16.655 -1.718 19.382 1.00 0.00 H new ATOM 0 HA LYS A 98 17.409 0.511 21.203 1.00 0.00 H new ATOM 0 HB2 LYS A 98 15.521 -1.839 21.637 1.00 0.00 H new ATOM 0 HB3 LYS A 98 15.787 -0.513 22.751 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.762 1.073 21.128 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.520 -0.236 19.988 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.105 -1.406 21.770 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.224 0.053 22.734 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.048 -0.003 19.920 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.085 -0.189 21.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.073 2.079 20.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.832 1.986 22.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.765 2.167 20.706 1.00 0.00 H new ATOM 1625 N GLY A 99 19.222 -0.736 22.446 1.00 0.00 N ATOM 1626 CA GLY A 99 20.330 -1.459 23.134 1.00 0.00 C ATOM 1627 C GLY A 99 21.392 -0.588 23.831 1.00 0.00 C ATOM 1628 O GLY A 99 21.635 -0.752 25.029 1.00 0.00 O ATOM 0 H GLY A 99 19.290 0.281 22.493 1.00 0.00 H new ATOM 0 HA2 GLY A 99 19.893 -2.124 23.878 1.00 0.00 H new ATOM 0 HA3 GLY A 99 20.833 -2.089 22.400 1.00 0.00 H new ATOM 1632 N GLU A 100 22.098 0.264 23.075 1.00 0.00 N ATOM 1633 CA GLU A 100 23.061 1.257 23.647 1.00 0.00 C ATOM 1634 C GLU A 100 22.740 2.714 23.185 1.00 0.00 C ATOM 1635 O GLU A 100 22.569 3.602 24.025 1.00 0.00 O ATOM 1636 CB GLU A 100 24.547 0.879 23.348 1.00 0.00 C ATOM 1637 CG GLU A 100 25.176 -0.286 24.152 1.00 0.00 C ATOM 1638 CD GLU A 100 24.878 -1.691 23.639 1.00 0.00 C ATOM 1639 OE1 GLU A 100 25.530 -2.242 22.752 1.00 0.00 O ATOM 1640 OE2 GLU A 100 23.821 -2.263 24.287 1.00 0.00 O ATOM 0 H GLU A 100 22.030 0.297 22.058 1.00 0.00 H new ATOM 0 HA GLU A 100 22.934 1.223 24.729 1.00 0.00 H new ATOM 0 HB2 GLU A 100 24.623 0.633 22.289 1.00 0.00 H new ATOM 0 HB3 GLU A 100 25.157 1.767 23.513 1.00 0.00 H new ATOM 0 HG2 GLU A 100 26.257 -0.148 24.167 1.00 0.00 H new ATOM 0 HG3 GLU A 100 24.831 -0.217 25.184 1.00 0.00 H new ATOM 1648 N LYS A 101 22.734 2.985 21.866 1.00 0.00 N ATOM 1649 CA LYS A 101 22.852 4.370 21.335 1.00 0.00 C ATOM 1650 C LYS A 101 21.481 5.104 21.200 1.00 0.00 C ATOM 1651 O LYS A 101 20.424 4.494 21.011 1.00 0.00 O ATOM 1652 CB LYS A 101 23.659 4.342 20.005 1.00 0.00 C ATOM 1653 CG LYS A 101 25.044 3.647 19.998 1.00 0.00 C ATOM 1654 CD LYS A 101 26.007 4.024 21.148 1.00 0.00 C ATOM 1655 CE LYS A 101 27.402 3.382 21.069 1.00 0.00 C ATOM 1656 NZ LYS A 101 27.384 1.904 21.151 1.00 0.00 N ATOM 0 H LYS A 101 22.649 2.269 21.144 1.00 0.00 H new ATOM 0 HA LYS A 101 23.400 4.967 22.064 1.00 0.00 H new ATOM 0 HB2 LYS A 101 23.040 3.856 19.251 1.00 0.00 H new ATOM 0 HB3 LYS A 101 23.803 5.373 19.682 1.00 0.00 H new ATOM 0 HG2 LYS A 101 24.886 2.569 20.024 1.00 0.00 H new ATOM 0 HG3 LYS A 101 25.536 3.874 19.052 1.00 0.00 H new ATOM 0 HD2 LYS A 101 26.123 5.108 21.163 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.547 3.740 22.094 1.00 0.00 H new ATOM 0 HE2 LYS A 101 27.876 3.679 20.134 1.00 0.00 H new ATOM 0 HE3 LYS A 101 28.019 3.774 21.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 27.865 1.599 22.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 26.400 1.569 21.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 27.875 1.505 20.326 1.00 0.00 H new ATOM 1669 N GLU A 102 21.516 6.442 21.313 1.00 0.00 N ATOM 1670 CA GLU A 102 20.284 7.282 21.429 1.00 0.00 C ATOM 1671 C GLU A 102 19.482 7.422 20.098 1.00 0.00 C ATOM 1672 O GLU A 102 18.408 6.828 19.969 1.00 0.00 O ATOM 1673 CB GLU A 102 20.641 8.630 22.125 1.00 0.00 C ATOM 1674 CG GLU A 102 21.143 8.556 23.593 1.00 0.00 C ATOM 1675 CD GLU A 102 20.123 8.045 24.614 1.00 0.00 C ATOM 1676 OE1 GLU A 102 19.378 8.785 25.249 1.00 0.00 O ATOM 1677 OE2 GLU A 102 20.144 6.683 24.732 1.00 0.00 O ATOM 0 H GLU A 102 22.383 6.979 21.328 1.00 0.00 H new ATOM 0 HA GLU A 102 19.571 6.762 22.069 1.00 0.00 H new ATOM 0 HB2 GLU A 102 21.408 9.126 21.530 1.00 0.00 H new ATOM 0 HB3 GLU A 102 19.757 9.268 22.101 1.00 0.00 H new ATOM 0 HG2 GLU A 102 22.020 7.909 23.627 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.469 9.551 23.898 1.00 0.00 H new ATOM 1685 N GLY A 103 20.014 8.128 19.089 1.00 0.00 N ATOM 1686 CA GLY A 103 19.417 8.170 17.724 1.00 0.00 C ATOM 1687 C GLY A 103 19.676 6.949 16.812 1.00 0.00 C ATOM 1688 O GLY A 103 20.125 7.135 15.683 1.00 0.00 O ATOM 0 H GLY A 103 20.863 8.685 19.183 1.00 0.00 H new ATOM 0 HA2 GLY A 103 18.339 8.293 17.828 1.00 0.00 H new ATOM 0 HA3 GLY A 103 19.792 9.059 17.216 1.00 0.00 H new ATOM 1692 N ARG A 104 19.411 5.720 17.289 1.00 0.00 N ATOM 1693 CA ARG A 104 19.822 4.477 16.594 1.00 0.00 C ATOM 1694 C ARG A 104 18.689 3.820 15.741 1.00 0.00 C ATOM 1695 O ARG A 104 17.661 3.372 16.261 1.00 0.00 O ATOM 1696 CB ARG A 104 20.437 3.506 17.635 1.00 0.00 C ATOM 1697 CG ARG A 104 21.413 2.496 16.990 1.00 0.00 C ATOM 1698 CD ARG A 104 21.803 1.340 17.923 1.00 0.00 C ATOM 1699 NE ARG A 104 22.347 0.238 17.095 1.00 0.00 N ATOM 1700 CZ ARG A 104 23.024 -0.800 17.563 1.00 0.00 C ATOM 1701 NH1 ARG A 104 23.496 -0.882 18.789 1.00 0.00 N ATOM 1702 NH2 ARG A 104 23.230 -1.795 16.746 1.00 0.00 N ATOM 0 H ARG A 104 18.909 5.556 18.162 1.00 0.00 H new ATOM 0 HA ARG A 104 20.578 4.736 15.852 1.00 0.00 H new ATOM 0 HB2 ARG A 104 20.963 4.080 18.398 1.00 0.00 H new ATOM 0 HB3 ARG A 104 19.637 2.964 18.140 1.00 0.00 H new ATOM 0 HG2 ARG A 104 20.957 2.087 16.089 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.316 3.022 16.680 1.00 0.00 H new ATOM 0 HD2 ARG A 104 22.545 1.672 18.649 1.00 0.00 H new ATOM 0 HD3 ARG A 104 20.935 0.998 18.488 1.00 0.00 H new ATOM 0 HE ARG A 104 22.188 0.282 16.088 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.348 -0.115 19.445 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.010 -1.713 19.083 1.00 0.00 H new ATOM 0 HH21 ARG A 104 22.875 -1.753 15.791 1.00 0.00 H new ATOM 0 HH22 ARG A 104 23.746 -2.616 17.062 1.00 0.00 H new ATOM 1716 N GLY A 105 18.921 3.718 14.424 1.00 0.00 N ATOM 1717 CA GLY A 105 17.960 3.080 13.493 1.00 0.00 C ATOM 1718 C GLY A 105 18.383 3.117 12.011 1.00 0.00 C ATOM 1719 O GLY A 105 19.539 3.385 11.670 1.00 0.00 O ATOM 0 H GLY A 105 19.766 4.068 13.972 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.820 2.041 13.792 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.994 3.574 13.594 1.00 0.00 H new ATOM 1723 N TRP A 106 17.426 2.840 11.113 1.00 0.00 N ATOM 1724 CA TRP A 106 17.641 2.980 9.641 1.00 0.00 C ATOM 1725 C TRP A 106 16.320 3.148 8.820 1.00 0.00 C ATOM 1726 O TRP A 106 15.252 2.663 9.200 1.00 0.00 O ATOM 1727 CB TRP A 106 18.612 1.905 9.046 1.00 0.00 C ATOM 1728 CG TRP A 106 18.295 0.413 9.209 1.00 0.00 C ATOM 1729 CD1 TRP A 106 18.899 -0.447 10.154 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.411 -0.379 8.500 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.407 -1.762 10.057 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.474 -1.693 9.034 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.477 -0.062 7.482 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.582 -2.689 8.573 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.597 -1.055 7.058 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.651 -2.350 7.590 1.00 0.00 C ATOM 0 H TRP A 106 16.492 2.517 11.367 1.00 0.00 H new ATOM 0 HA TRP A 106 18.162 3.931 9.527 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.700 2.103 7.978 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.595 2.078 9.484 1.00 0.00 H new ATOM 0 HD1 TRP A 106 19.648 -0.133 10.865 1.00 0.00 H new ATOM 0 HE1 TRP A 106 18.675 -2.576 10.610 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.448 0.926 7.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.620 -3.691 8.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.859 -0.822 6.305 1.00 0.00 H new ATOM 0 HH2 TRP A 106 14.960 -3.099 7.233 1.00 0.00 H new ATOM 1747 N THR A 107 16.416 3.815 7.657 1.00 0.00 N ATOM 1748 CA THR A 107 15.284 3.973 6.696 1.00 0.00 C ATOM 1749 C THR A 107 15.745 3.463 5.292 1.00 0.00 C ATOM 1750 O THR A 107 16.672 4.031 4.702 1.00 0.00 O ATOM 1751 CB THR A 107 14.828 5.465 6.649 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.486 5.953 7.945 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.607 5.709 5.751 1.00 0.00 C ATOM 0 H THR A 107 17.277 4.264 7.346 1.00 0.00 H new ATOM 0 HA THR A 107 14.426 3.382 7.017 1.00 0.00 H new ATOM 0 HB THR A 107 15.689 5.992 6.239 1.00 0.00 H new ATOM 0 HG1 THR A 107 13.924 5.295 8.405 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.348 6.768 5.768 1.00 0.00 H new ATOM 0 HG22 THR A 107 13.841 5.409 4.729 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.763 5.124 6.117 1.00 0.00 H new ATOM 1761 N GLN A 108 15.091 2.416 4.751 1.00 0.00 N ATOM 1762 CA GLN A 108 15.455 1.824 3.429 1.00 0.00 C ATOM 1763 C GLN A 108 14.281 1.931 2.403 1.00 0.00 C ATOM 1764 O GLN A 108 13.169 1.460 2.663 1.00 0.00 O ATOM 1765 CB GLN A 108 15.892 0.356 3.672 1.00 0.00 C ATOM 1766 CG GLN A 108 16.645 -0.296 2.487 1.00 0.00 C ATOM 1767 CD GLN A 108 17.058 -1.753 2.716 1.00 0.00 C ATOM 1768 OE1 GLN A 108 18.212 -2.073 2.980 1.00 0.00 O ATOM 1769 NE2 GLN A 108 16.141 -2.684 2.605 1.00 0.00 N ATOM 0 H GLN A 108 14.303 1.954 5.205 1.00 0.00 H new ATOM 0 HA GLN A 108 16.279 2.381 2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.531 0.322 4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 108 15.008 -0.240 3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 108 16.012 -0.247 1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.538 0.292 2.274 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.178 -2.428 2.386 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.391 -3.664 2.738 1.00 0.00 H new ATOM 1778 N TRP A 109 14.535 2.520 1.223 1.00 0.00 N ATOM 1779 CA TRP A 109 13.515 2.670 0.140 1.00 0.00 C ATOM 1780 C TRP A 109 14.114 2.434 -1.290 1.00 0.00 C ATOM 1781 O TRP A 109 15.333 2.326 -1.463 1.00 0.00 O ATOM 1782 CB TRP A 109 12.759 4.021 0.329 1.00 0.00 C ATOM 1783 CG TRP A 109 13.489 5.316 -0.060 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.381 5.958 -1.308 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.360 6.093 0.683 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.163 7.127 -1.368 1.00 0.00 N ATOM 1787 CE2 TRP A 109 14.750 7.198 -0.116 1.00 0.00 C ATOM 1788 CE3 TRP A 109 14.897 5.925 1.985 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.677 8.142 0.381 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 15.810 6.869 2.456 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.191 7.963 1.667 1.00 0.00 C ATOM 0 H TRP A 109 15.446 2.909 0.981 1.00 0.00 H new ATOM 0 HA TRP A 109 12.770 1.879 0.225 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.836 3.971 -0.249 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.474 4.100 1.378 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.771 5.597 -2.123 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.272 7.771 -2.151 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.606 5.085 2.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 15.982 8.985 -0.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.230 6.755 3.444 1.00 0.00 H new ATOM 0 HH2 TRP A 109 16.895 8.681 2.061 1.00 0.00 H new ATOM 1802 N ILE A 110 13.255 2.352 -2.326 1.00 0.00 N ATOM 1803 CA ILE A 110 13.708 2.196 -3.748 1.00 0.00 C ATOM 1804 C ILE A 110 13.256 3.432 -4.592 1.00 0.00 C ATOM 1805 O ILE A 110 12.106 3.878 -4.538 1.00 0.00 O ATOM 1806 CB ILE A 110 13.275 0.809 -4.359 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.970 -0.381 -3.635 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.555 0.675 -5.886 1.00 0.00 C ATOM 1809 CD1 ILE A 110 13.333 -1.757 -3.876 1.00 0.00 C ATOM 0 H ILE A 110 12.241 2.390 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 110 14.798 2.178 -3.773 1.00 0.00 H new ATOM 0 HB ILE A 110 12.196 0.774 -4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 110 15.012 -0.420 -3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.971 -0.182 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.229 -0.306 -6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 110 13.009 1.449 -6.425 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.623 0.789 -6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.891 -2.517 -3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.300 -1.745 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.356 -1.987 -4.941 1.00 0.00 H new ATOM 1821 N GLU A 111 14.187 3.931 -5.421 1.00 0.00 N ATOM 1822 CA GLU A 111 13.925 5.008 -6.415 1.00 0.00 C ATOM 1823 C GLU A 111 14.275 4.465 -7.836 1.00 0.00 C ATOM 1824 O GLU A 111 15.441 4.456 -8.248 1.00 0.00 O ATOM 1825 CB GLU A 111 14.761 6.258 -6.021 1.00 0.00 C ATOM 1826 CG GLU A 111 14.262 7.014 -4.766 1.00 0.00 C ATOM 1827 CD GLU A 111 13.399 8.243 -5.033 1.00 0.00 C ATOM 1828 OE1 GLU A 111 12.183 8.267 -4.867 1.00 0.00 O ATOM 1829 OE2 GLU A 111 14.142 9.305 -5.463 1.00 0.00 O ATOM 0 H GLU A 111 15.153 3.602 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 111 12.877 5.307 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.792 5.948 -5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.770 6.950 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.692 6.320 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.129 7.322 -4.181 1.00 0.00 H new ATOM 1837 N GLY A 112 13.262 3.968 -8.572 1.00 0.00 N ATOM 1838 CA GLY A 112 13.469 3.340 -9.908 1.00 0.00 C ATOM 1839 C GLY A 112 14.147 1.952 -9.855 1.00 0.00 C ATOM 1840 O GLY A 112 13.548 0.990 -9.372 1.00 0.00 O ATOM 0 H GLY A 112 12.288 3.986 -8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.504 3.242 -10.405 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.077 4.006 -10.520 1.00 0.00 H new ATOM 1844 N ASP A 113 15.406 1.870 -10.311 1.00 0.00 N ATOM 1845 CA ASP A 113 16.285 0.690 -10.039 1.00 0.00 C ATOM 1846 C ASP A 113 17.475 0.982 -9.055 1.00 0.00 C ATOM 1847 O ASP A 113 18.577 0.455 -9.257 1.00 0.00 O ATOM 1848 CB ASP A 113 16.705 0.058 -11.401 1.00 0.00 C ATOM 1849 CG ASP A 113 17.611 0.881 -12.326 1.00 0.00 C ATOM 1850 OD1 ASP A 113 17.252 1.316 -13.415 1.00 0.00 O ATOM 1851 OD2 ASP A 113 18.853 1.070 -11.790 1.00 0.00 O ATOM 0 H ASP A 113 15.851 2.598 -10.870 1.00 0.00 H new ATOM 0 HA ASP A 113 15.713 -0.051 -9.480 1.00 0.00 H new ATOM 0 HB2 ASP A 113 17.210 -0.885 -11.190 1.00 0.00 H new ATOM 0 HB3 ASP A 113 15.796 -0.184 -11.952 1.00 0.00 H new ATOM 1857 N GLU A 114 17.264 1.796 -8.001 1.00 0.00 N ATOM 1858 CA GLU A 114 18.307 2.125 -6.994 1.00 0.00 C ATOM 1859 C GLU A 114 17.756 1.978 -5.543 1.00 0.00 C ATOM 1860 O GLU A 114 16.657 2.443 -5.231 1.00 0.00 O ATOM 1861 CB GLU A 114 18.873 3.554 -7.219 1.00 0.00 C ATOM 1862 CG GLU A 114 19.810 3.708 -8.443 1.00 0.00 C ATOM 1863 CD GLU A 114 20.443 5.091 -8.612 1.00 0.00 C ATOM 1864 OE1 GLU A 114 20.430 5.973 -7.755 1.00 0.00 O ATOM 1865 OE2 GLU A 114 21.045 5.218 -9.831 1.00 0.00 O ATOM 0 H GLU A 114 16.367 2.247 -7.819 1.00 0.00 H new ATOM 0 HA GLU A 114 19.122 1.412 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.037 4.245 -7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.418 3.857 -6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.607 2.969 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.244 3.473 -9.345 1.00 0.00 H new ATOM 1873 N LEU A 115 18.555 1.362 -4.654 1.00 0.00 N ATOM 1874 CA LEU A 115 18.242 1.265 -3.202 1.00 0.00 C ATOM 1875 C LEU A 115 18.855 2.480 -2.449 1.00 0.00 C ATOM 1876 O LEU A 115 20.067 2.715 -2.514 1.00 0.00 O ATOM 1877 CB LEU A 115 18.835 -0.064 -2.662 1.00 0.00 C ATOM 1878 CG LEU A 115 18.436 -0.522 -1.240 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.978 -0.997 -1.212 1.00 0.00 C ATOM 1880 CD2 LEU A 115 19.350 -1.672 -0.779 1.00 0.00 C ATOM 0 H LEU A 115 19.435 0.916 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 115 17.163 1.276 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 115 18.559 -0.857 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.921 0.021 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 115 18.547 0.328 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.718 -1.315 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 115 16.323 -0.180 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.855 -1.834 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 115 19.061 -1.987 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 115 19.252 -2.512 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 115 20.385 -1.332 -0.768 1.00 0.00 H new ATOM 1892 N HIS A 116 18.017 3.218 -1.717 1.00 0.00 N ATOM 1893 CA HIS A 116 18.455 4.398 -0.930 1.00 0.00 C ATOM 1894 C HIS A 116 18.272 4.074 0.583 1.00 0.00 C ATOM 1895 O HIS A 116 17.164 3.808 1.062 1.00 0.00 O ATOM 1896 CB HIS A 116 17.657 5.645 -1.387 1.00 0.00 C ATOM 1897 CG HIS A 116 18.077 6.241 -2.737 1.00 0.00 C ATOM 1898 ND1 HIS A 116 17.836 5.638 -3.966 1.00 0.00 N ATOM 1899 CD2 HIS A 116 18.814 7.426 -2.906 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.487 6.525 -4.782 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.082 7.636 -4.248 1.00 0.00 N ATOM 0 H HIS A 116 17.018 3.025 -1.646 1.00 0.00 H new ATOM 0 HA HIS A 116 19.509 4.623 -1.096 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.601 5.380 -1.440 1.00 0.00 H new ATOM 0 HB3 HIS A 116 17.754 6.417 -0.623 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.126 8.079 -2.104 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.531 6.348 -5.846 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.580 8.399 -4.707 1.00 0.00 H new ATOM 1909 N LEU A 117 19.392 4.065 1.316 1.00 0.00 N ATOM 1910 CA LEU A 117 19.455 3.603 2.727 1.00 0.00 C ATOM 1911 C LEU A 117 20.101 4.715 3.609 1.00 0.00 C ATOM 1912 O LEU A 117 21.265 5.080 3.416 1.00 0.00 O ATOM 1913 CB LEU A 117 20.256 2.270 2.732 1.00 0.00 C ATOM 1914 CG LEU A 117 20.549 1.635 4.116 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.297 1.111 4.838 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.560 0.492 3.960 1.00 0.00 C ATOM 0 H LEU A 117 20.292 4.379 0.953 1.00 0.00 H new ATOM 0 HA LEU A 117 18.468 3.417 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 117 19.708 1.542 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.208 2.444 2.230 1.00 0.00 H new ATOM 0 HG LEU A 117 20.956 2.434 4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.584 0.682 5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.600 1.933 5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 117 18.818 0.346 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.762 0.049 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.150 -0.268 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.487 0.881 3.539 1.00 0.00 H new ATOM 1928 N GLU A 118 19.360 5.209 4.611 1.00 0.00 N ATOM 1929 CA GLU A 118 19.901 6.166 5.616 1.00 0.00 C ATOM 1930 C GLU A 118 19.985 5.464 7.007 1.00 0.00 C ATOM 1931 O GLU A 118 18.950 5.179 7.616 1.00 0.00 O ATOM 1932 CB GLU A 118 19.030 7.451 5.649 1.00 0.00 C ATOM 1933 CG GLU A 118 19.119 8.336 4.381 1.00 0.00 C ATOM 1934 CD GLU A 118 18.407 9.677 4.534 1.00 0.00 C ATOM 1935 OE1 GLU A 118 17.200 9.835 4.380 1.00 0.00 O ATOM 1936 OE2 GLU A 118 19.263 10.682 4.869 1.00 0.00 O ATOM 0 H GLU A 118 18.380 4.967 4.756 1.00 0.00 H new ATOM 0 HA GLU A 118 20.910 6.473 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 118 17.990 7.163 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.324 8.049 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 118 20.168 8.514 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.687 7.797 3.538 1.00 0.00 H new ATOM 1944 N MET A 119 21.204 5.180 7.502 1.00 0.00 N ATOM 1945 CA MET A 119 21.423 4.495 8.812 1.00 0.00 C ATOM 1946 C MET A 119 21.891 5.508 9.902 1.00 0.00 C ATOM 1947 O MET A 119 22.871 6.227 9.697 1.00 0.00 O ATOM 1948 CB MET A 119 22.462 3.347 8.683 1.00 0.00 C ATOM 1949 CG MET A 119 22.178 2.220 7.672 1.00 0.00 C ATOM 1950 SD MET A 119 23.418 0.915 7.816 1.00 0.00 S ATOM 1951 CE MET A 119 24.811 1.677 6.964 1.00 0.00 C ATOM 0 H MET A 119 22.069 5.414 7.015 1.00 0.00 H new ATOM 0 HA MET A 119 20.468 4.066 9.115 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.422 3.794 8.423 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.579 2.891 9.666 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.185 1.807 7.848 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.181 2.623 6.659 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.615 0.949 6.858 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.494 2.013 5.977 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.167 2.530 7.541 1.00 0.00 H new ATOM 1961 N ARG A 120 21.217 5.559 11.062 1.00 0.00 N ATOM 1962 CA ARG A 120 21.507 6.553 12.136 1.00 0.00 C ATOM 1963 C ARG A 120 22.060 5.889 13.437 1.00 0.00 C ATOM 1964 O ARG A 120 21.638 4.789 13.812 1.00 0.00 O ATOM 1965 CB ARG A 120 20.218 7.355 12.463 1.00 0.00 C ATOM 1966 CG ARG A 120 19.660 8.243 11.323 1.00 0.00 C ATOM 1967 CD ARG A 120 18.577 9.243 11.774 1.00 0.00 C ATOM 1968 NE ARG A 120 19.165 10.390 12.524 1.00 0.00 N ATOM 1969 CZ ARG A 120 18.896 10.721 13.786 1.00 0.00 C ATOM 1970 NH1 ARG A 120 18.101 10.045 14.588 1.00 0.00 N ATOM 1971 NH2 ARG A 120 19.461 11.797 14.260 1.00 0.00 N ATOM 0 H ARG A 120 20.456 4.920 11.292 1.00 0.00 H new ATOM 0 HA ARG A 120 22.284 7.219 11.761 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.442 6.650 12.760 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.419 7.990 13.326 1.00 0.00 H new ATOM 0 HG2 ARG A 120 20.484 8.796 10.872 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.245 7.600 10.547 1.00 0.00 H new ATOM 0 HD2 ARG A 120 18.039 9.615 10.902 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.848 8.732 12.403 1.00 0.00 H new ATOM 0 HE ARG A 120 19.835 10.975 12.025 1.00 0.00 H new ATOM 0 HH11 ARG A 120 17.639 9.199 14.254 1.00 0.00 H new ATOM 0 HH12 ARG A 120 17.947 10.367 15.544 1.00 0.00 H new ATOM 0 HH21 ARG A 120 20.082 12.350 13.669 1.00 0.00 H new ATOM 0 HH22 ARG A 120 19.282 12.086 15.222 1.00 0.00 H new ATOM 1985 N ALA A 121 22.973 6.578 14.150 1.00 0.00 N ATOM 1986 CA ALA A 121 23.322 6.249 15.562 1.00 0.00 C ATOM 1987 C ALA A 121 23.758 7.510 16.364 1.00 0.00 C ATOM 1988 O ALA A 121 24.484 8.365 15.844 1.00 0.00 O ATOM 1989 CB ALA A 121 24.399 5.154 15.622 1.00 0.00 C ATOM 0 H ALA A 121 23.490 7.373 13.775 1.00 0.00 H new ATOM 0 HA ALA A 121 22.419 5.864 16.037 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.635 4.933 16.663 1.00 0.00 H new ATOM 0 HB2 ALA A 121 24.029 4.252 15.134 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.298 5.499 15.111 1.00 0.00 H new ATOM 1995 N GLU A 122 23.311 7.631 17.637 1.00 0.00 N ATOM 1996 CA GLU A 122 23.593 8.810 18.526 1.00 0.00 C ATOM 1997 C GLU A 122 22.852 10.112 18.065 1.00 0.00 C ATOM 1998 O GLU A 122 21.817 10.482 18.621 1.00 0.00 O ATOM 1999 CB GLU A 122 25.108 8.993 18.865 1.00 0.00 C ATOM 2000 CG GLU A 122 25.774 7.844 19.662 1.00 0.00 C ATOM 2001 CD GLU A 122 25.629 7.955 21.179 1.00 0.00 C ATOM 2002 OE1 GLU A 122 26.478 8.455 21.907 1.00 0.00 O ATOM 2003 OE2 GLU A 122 24.453 7.443 21.641 1.00 0.00 O ATOM 0 H GLU A 122 22.741 6.916 18.089 1.00 0.00 H new ATOM 0 HA GLU A 122 23.147 8.574 19.492 1.00 0.00 H new ATOM 0 HB2 GLU A 122 25.655 9.124 17.931 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.223 9.916 19.434 1.00 0.00 H new ATOM 0 HG2 GLU A 122 25.343 6.897 19.337 1.00 0.00 H new ATOM 0 HG3 GLU A 122 26.835 7.814 19.413 1.00 0.00 H new ATOM 2011 N GLY A 123 23.372 10.739 17.008 1.00 0.00 N ATOM 2012 CA GLY A 123 22.572 11.586 16.086 1.00 0.00 C ATOM 2013 C GLY A 123 23.247 11.791 14.703 1.00 0.00 C ATOM 2014 O GLY A 123 23.320 12.920 14.219 1.00 0.00 O ATOM 0 H GLY A 123 24.359 10.681 16.757 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.593 11.129 15.941 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.405 12.558 16.549 1.00 0.00 H new ATOM 2018 N VAL A 124 23.757 10.710 14.079 1.00 0.00 N ATOM 2019 CA VAL A 124 24.734 10.796 12.949 1.00 0.00 C ATOM 2020 C VAL A 124 24.260 9.815 11.829 1.00 0.00 C ATOM 2021 O VAL A 124 24.159 8.607 12.061 1.00 0.00 O ATOM 2022 CB VAL A 124 26.186 10.462 13.448 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.228 10.381 12.312 1.00 0.00 C ATOM 2024 CG2 VAL A 124 26.744 11.466 14.485 1.00 0.00 C ATOM 0 H VAL A 124 23.512 9.753 14.334 1.00 0.00 H new ATOM 0 HA VAL A 124 24.770 11.809 12.547 1.00 0.00 H new ATOM 0 HB VAL A 124 26.051 9.485 13.911 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.206 10.147 12.732 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.939 9.600 11.608 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.275 11.338 11.793 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.750 11.165 14.778 1.00 0.00 H new ATOM 0 HG22 VAL A 124 26.778 12.463 14.045 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.098 11.479 15.363 1.00 0.00 H new ATOM 2034 N THR A 125 24.016 10.335 10.613 1.00 0.00 N ATOM 2035 CA THR A 125 23.430 9.536 9.491 1.00 0.00 C ATOM 2036 C THR A 125 24.506 9.090 8.446 1.00 0.00 C ATOM 2037 O THR A 125 25.125 9.929 7.782 1.00 0.00 O ATOM 2038 CB THR A 125 22.277 10.337 8.805 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.376 10.862 9.775 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.422 9.492 7.844 1.00 0.00 C ATOM 0 H THR A 125 24.212 11.306 10.369 1.00 0.00 H new ATOM 0 HA THR A 125 23.020 8.622 9.920 1.00 0.00 H new ATOM 0 HB THR A 125 22.786 11.121 8.244 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.664 11.361 9.323 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.643 10.116 7.406 1.00 0.00 H new ATOM 0 HG22 THR A 125 22.054 9.091 7.051 1.00 0.00 H new ATOM 0 HG23 THR A 125 20.963 8.670 8.393 1.00 0.00 H new ATOM 2048 N CYS A 126 24.657 7.772 8.234 1.00 0.00 N ATOM 2049 CA CYS A 126 25.301 7.214 7.015 1.00 0.00 C ATOM 2050 C CYS A 126 24.292 7.079 5.838 1.00 0.00 C ATOM 2051 O CYS A 126 23.242 6.444 5.966 1.00 0.00 O ATOM 2052 CB CYS A 126 25.888 5.838 7.371 1.00 0.00 C ATOM 2053 SG CYS A 126 26.507 4.960 5.893 1.00 0.00 S ATOM 0 H CYS A 126 24.341 7.061 8.893 1.00 0.00 H new ATOM 0 HA CYS A 126 26.086 7.894 6.684 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.701 5.964 8.086 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.125 5.233 7.860 1.00 0.00 H new ATOM 0 HG CYS A 126 27.350 4.039 6.256 1.00 0.00 H new ATOM 2059 N LYS A 127 24.630 7.671 4.687 1.00 0.00 N ATOM 2060 CA LYS A 127 23.723 7.758 3.511 1.00 0.00 C ATOM 2061 C LYS A 127 24.304 6.861 2.374 1.00 0.00 C ATOM 2062 O LYS A 127 25.357 7.165 1.801 1.00 0.00 O ATOM 2063 CB LYS A 127 23.604 9.254 3.107 1.00 0.00 C ATOM 2064 CG LYS A 127 22.958 10.191 4.167 1.00 0.00 C ATOM 2065 CD LYS A 127 23.187 11.696 3.904 1.00 0.00 C ATOM 2066 CE LYS A 127 24.630 12.203 4.121 1.00 0.00 C ATOM 2067 NZ LYS A 127 25.001 12.259 5.551 1.00 0.00 N ATOM 0 H LYS A 127 25.539 8.107 4.533 1.00 0.00 H new ATOM 0 HA LYS A 127 22.720 7.393 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.601 9.629 2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 127 23.020 9.318 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.886 9.998 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 127 23.358 9.940 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 127 22.895 11.915 2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 127 22.521 12.265 4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 127 25.325 11.549 3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 127 24.733 13.196 3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 25.971 12.621 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 24.346 12.890 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 24.947 11.305 5.961 1.00 0.00 H new ATOM 2080 N GLN A 128 23.646 5.726 2.083 1.00 0.00 N ATOM 2081 CA GLN A 128 24.175 4.694 1.148 1.00 0.00 C ATOM 2082 C GLN A 128 23.242 4.507 -0.086 1.00 0.00 C ATOM 2083 O GLN A 128 22.028 4.321 0.054 1.00 0.00 O ATOM 2084 CB GLN A 128 24.401 3.354 1.900 1.00 0.00 C ATOM 2085 CG GLN A 128 25.489 3.411 3.009 1.00 0.00 C ATOM 2086 CD GLN A 128 26.178 2.110 3.438 1.00 0.00 C ATOM 2087 OE1 GLN A 128 27.383 2.075 3.652 1.00 0.00 O ATOM 2088 NE2 GLN A 128 25.483 1.011 3.596 1.00 0.00 N ATOM 0 H GLN A 128 22.737 5.490 2.482 1.00 0.00 H new ATOM 0 HA GLN A 128 25.136 5.039 0.767 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.459 3.041 2.349 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.679 2.588 1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.265 4.100 2.675 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.033 3.850 3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 128 24.478 1.014 3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 128 25.947 0.152 3.891 1.00 0.00 H new ATOM 2097 N VAL A 129 23.831 4.534 -1.296 1.00 0.00 N ATOM 2098 CA VAL A 129 23.076 4.350 -2.574 1.00 0.00 C ATOM 2099 C VAL A 129 23.607 3.054 -3.265 1.00 0.00 C ATOM 2100 O VAL A 129 24.815 2.898 -3.474 1.00 0.00 O ATOM 2101 CB VAL A 129 23.157 5.600 -3.521 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.268 5.437 -4.780 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.726 6.927 -2.855 1.00 0.00 C ATOM 0 H VAL A 129 24.832 4.681 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 129 22.015 4.244 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 129 24.215 5.650 -3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.356 6.326 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.593 4.563 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.229 5.308 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.811 7.740 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.692 6.847 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.370 7.131 -2.000 1.00 0.00 H new ATOM 2113 N PHE A 130 22.691 2.154 -3.657 1.00 0.00 N ATOM 2114 CA PHE A 130 23.021 0.939 -4.456 1.00 0.00 C ATOM 2115 C PHE A 130 22.217 0.923 -5.794 1.00 0.00 C ATOM 2116 O PHE A 130 21.136 1.505 -5.887 1.00 0.00 O ATOM 2117 CB PHE A 130 22.735 -0.388 -3.689 1.00 0.00 C ATOM 2118 CG PHE A 130 23.355 -0.637 -2.306 1.00 0.00 C ATOM 2119 CD1 PHE A 130 22.935 0.092 -1.188 1.00 0.00 C ATOM 2120 CD2 PHE A 130 24.274 -1.676 -2.138 1.00 0.00 C ATOM 2121 CE1 PHE A 130 23.456 -0.191 0.071 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.785 -1.968 -0.878 1.00 0.00 C ATOM 2123 CZ PHE A 130 24.383 -1.220 0.224 1.00 0.00 C ATOM 0 H PHE A 130 21.699 2.238 -3.435 1.00 0.00 H new ATOM 0 HA PHE A 130 24.091 0.993 -4.655 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.654 -0.468 -3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 130 23.050 -1.208 -4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.203 0.878 -1.303 1.00 0.00 H new ATOM 0 HD2 PHE A 130 24.590 -2.256 -2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 130 23.142 0.386 0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.493 -2.774 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 130 24.790 -1.437 1.200 1.00 0.00 H new ATOM 2133 N LYS A 131 22.705 0.190 -6.808 1.00 0.00 N ATOM 2134 CA LYS A 131 21.963 -0.054 -8.078 1.00 0.00 C ATOM 2135 C LYS A 131 21.592 -1.562 -8.261 1.00 0.00 C ATOM 2136 O LYS A 131 22.383 -2.457 -7.940 1.00 0.00 O ATOM 2137 CB LYS A 131 22.822 0.513 -9.236 1.00 0.00 C ATOM 2138 CG LYS A 131 22.010 0.791 -10.521 1.00 0.00 C ATOM 2139 CD LYS A 131 22.817 1.524 -11.605 1.00 0.00 C ATOM 2140 CE LYS A 131 21.950 1.850 -12.831 1.00 0.00 C ATOM 2141 NZ LYS A 131 22.765 2.536 -13.853 1.00 0.00 N ATOM 0 H LYS A 131 23.623 -0.254 -6.781 1.00 0.00 H new ATOM 0 HA LYS A 131 21.001 0.459 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.297 1.438 -8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.621 -0.192 -9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 131 21.648 -0.154 -10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.133 1.386 -10.266 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.227 2.446 -11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 131 23.662 0.907 -11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.529 0.933 -13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 131 21.112 2.482 -12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.173 2.754 -14.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 23.146 3.419 -13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 23.550 1.919 -14.142 1.00 0.00 H new ATOM 2154 N LYS A 132 20.384 -1.843 -8.792 1.00 0.00 N ATOM 2155 CA LYS A 132 19.890 -3.237 -8.986 1.00 0.00 C ATOM 2156 C LYS A 132 20.545 -3.944 -10.212 1.00 0.00 C ATOM 2157 O LYS A 132 20.365 -3.516 -11.356 1.00 0.00 O ATOM 2158 CB LYS A 132 18.341 -3.218 -9.131 1.00 0.00 C ATOM 2159 CG LYS A 132 17.657 -4.549 -8.735 1.00 0.00 C ATOM 2160 CD LYS A 132 16.117 -4.443 -8.733 1.00 0.00 C ATOM 2161 CE LYS A 132 15.408 -5.596 -8.001 1.00 0.00 C ATOM 2162 NZ LYS A 132 15.223 -6.787 -8.848 1.00 0.00 N ATOM 0 H LYS A 132 19.726 -1.126 -9.097 1.00 0.00 H new ATOM 0 HA LYS A 132 20.176 -3.815 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 132 17.938 -2.416 -8.513 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.086 -2.983 -10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 132 17.963 -5.332 -9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 132 17.999 -4.849 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.829 -3.500 -8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.765 -4.410 -9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.987 -5.870 -7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 132 14.435 -5.252 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 15.014 -7.610 -8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 14.432 -6.627 -9.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 16.092 -6.966 -9.390 1.00 0.00 H new ATOM 2175 N VAL A 133 21.272 -5.042 -9.961 1.00 0.00 N ATOM 2176 CA VAL A 133 21.875 -5.892 -11.044 1.00 0.00 C ATOM 2177 C VAL A 133 21.104 -7.230 -11.313 1.00 0.00 C ATOM 2178 O VAL A 133 21.027 -7.653 -12.469 1.00 0.00 O ATOM 2179 CB VAL A 133 23.421 -6.082 -10.869 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.186 -4.740 -10.906 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.867 -6.858 -9.611 1.00 0.00 C ATOM 0 H VAL A 133 21.468 -5.379 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 133 21.745 -5.322 -11.964 1.00 0.00 H new ATOM 0 HB VAL A 133 23.677 -6.699 -11.730 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.253 -4.926 -10.781 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.013 -4.249 -11.864 1.00 0.00 H new ATOM 0 HG13 VAL A 133 23.832 -4.097 -10.100 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.955 -6.929 -9.594 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.523 -6.334 -8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.439 -7.860 -9.631 1.00 0.00 H new ATOM 2191 N HIS A 134 20.530 -7.887 -10.284 1.00 0.00 N ATOM 2192 CA HIS A 134 19.590 -9.021 -10.463 1.00 0.00 C ATOM 2193 C HIS A 134 18.195 -8.558 -9.985 1.00 0.00 C ATOM 2194 O HIS A 134 17.253 -8.542 -10.806 1.00 0.00 O ATOM 2195 CB HIS A 134 20.156 -10.253 -9.711 1.00 0.00 C ATOM 2196 CG HIS A 134 19.339 -11.536 -9.835 1.00 0.00 C ATOM 2197 ND1 HIS A 134 19.353 -12.358 -10.942 1.00 0.00 N ATOM 2198 CD2 HIS A 134 18.485 -12.068 -8.854 1.00 0.00 C ATOM 2199 CE1 HIS A 134 18.486 -13.334 -10.525 1.00 0.00 C ATOM 2200 NE2 HIS A 134 17.907 -13.254 -9.284 1.00 0.00 N ATOM 2201 OXT HIS A 134 18.036 -8.207 -8.795 1.00 0.00 O ATOM 0 H HIS A 134 20.702 -7.650 -9.307 1.00 0.00 H new ATOM 0 HA HIS A 134 19.481 -9.327 -11.503 1.00 0.00 H new ATOM 0 HB2 HIS A 134 21.163 -10.449 -10.078 1.00 0.00 H new ATOM 0 HB3 HIS A 134 20.245 -10.001 -8.654 1.00 0.00 H new ATOM 0 HD2 HIS A 134 18.302 -11.613 -7.892 1.00 0.00 H new ATOM 0 HE1 HIS A 134 18.258 -14.167 -11.174 1.00 0.00 H new ATOM 0 HE2 HIS A 134 17.249 -13.879 -8.817 1.00 0.00 H new