USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 874 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 77 SER OG : rot 115:sc= -1.92! USER MOD Set 1.2: A 101 MET CE :methyl -170:sc= -4.28 (180deg=-4.85!) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -175:sc= -2.01 (180deg=-1.87) USER MOD Set 2.2: A 91 ASN : amide:sc= -2.8 K(o=-4.8,f=-9.6!) USER MOD Set 3.1: A 13 THR OG1 : rot -167:sc= -1.62! USER MOD Set 3.2: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 1 TRP N :NH3+ -141:sc= -3.04! (180deg=-3.23!) USER MOD Set 4.2: A 3 GLN : amide:sc= -4.76! C(o=-7!,f=-21!) USER MOD Set 4.3: A 102 LYS NZ :NH3+ -159:sc= 0.752 (180deg=1.03) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0588 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 48:sc= 0.0274 USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00439) USER MOD Single : A 20 MET CE :methyl -131:sc= -3.45! (180deg=-6.6!) USER MOD Single : A 26 ASN : amide:sc= -2.48 K(o=-2.5,f=-7.7!) USER MOD Single : A 27 THR OG1 : rot -35:sc= 0.936 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 46 THR OG1 : rot -160:sc= -4.8! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 160:sc= -1.16 USER MOD Single : A 51 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.5) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 6:sc= 0.566 USER MOD Single : A 59 ASN : amide:sc=-0.00981 K(o=-0.0098,f=-0.62) USER MOD Single : A 60 ASN : amide:sc= -4.37! C(o=-4.4!,f=-5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.6!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.291 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -133:sc= -2.92! (180deg=-6.04!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -160:sc= 0.0139 USER MOD Single : A 73 LYS NZ :NH3+ -142:sc= 0.088 (180deg=-1.38!) USER MOD Single : A 75 ASN : amide:sc= -4.62! C(o=-4.6!,f=-5.8!) USER MOD Single : A 76 ASN : amide:sc= -4.55! C(o=-4.6!,f=-4.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0.00794 X(o=0.0079,f=0) USER MOD Single : A 104 MET CE :methyl 162:sc= -3.47 (180deg=-4.61!) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 2.040 -17.980 -2.135 1.00 0.00 N ATOM 2 CA TRP A 1 1.855 -19.394 -1.726 1.00 0.00 C ATOM 3 C TRP A 1 1.954 -19.555 -0.212 1.00 0.00 C ATOM 4 O TRP A 1 1.197 -20.321 0.383 1.00 0.00 O ATOM 5 CB TRP A 1 2.909 -20.254 -2.424 1.00 0.00 C ATOM 6 CG TRP A 1 2.344 -21.497 -3.042 1.00 0.00 C ATOM 7 CD1 TRP A 1 1.669 -21.589 -4.225 1.00 0.00 C ATOM 8 CD2 TRP A 1 2.407 -22.825 -2.509 1.00 0.00 C ATOM 9 NE1 TRP A 1 1.306 -22.894 -4.460 1.00 0.00 N ATOM 10 CE2 TRP A 1 1.748 -23.672 -3.422 1.00 0.00 C ATOM 11 CE3 TRP A 1 2.955 -23.382 -1.350 1.00 0.00 C ATOM 12 CZ2 TRP A 1 1.624 -25.042 -3.211 1.00 0.00 C ATOM 13 CZ3 TRP A 1 2.831 -24.743 -1.142 1.00 0.00 C ATOM 14 CH2 TRP A 1 2.171 -25.560 -2.069 1.00 0.00 C ATOM 0 H1 TRP A 1 1.385 -17.754 -2.911 1.00 0.00 H new ATOM 0 H2 TRP A 1 1.846 -17.356 -1.326 1.00 0.00 H new ATOM 0 H3 TRP A 1 3.019 -17.837 -2.456 1.00 0.00 H new ATOM 0 HA TRP A 1 0.857 -19.718 -2.021 1.00 0.00 H new ATOM 0 HB2 TRP A 1 3.397 -19.661 -3.198 1.00 0.00 H new ATOM 0 HB3 TRP A 1 3.677 -20.532 -1.703 1.00 0.00 H new ATOM 0 HD1 TRP A 1 1.452 -20.758 -4.880 1.00 0.00 H new ATOM 0 HE1 TRP A 1 0.791 -23.229 -5.275 1.00 0.00 H new ATOM 0 HE3 TRP A 1 3.466 -22.760 -0.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 1.114 -25.674 -3.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 3.250 -25.184 -0.250 1.00 0.00 H new ATOM 0 HH2 TRP A 1 2.092 -26.620 -1.878 1.00 0.00 H new ATOM 27 N VAL A 2 2.882 -18.832 0.416 1.00 0.00 N ATOM 28 CA VAL A 2 3.040 -18.924 1.861 1.00 0.00 C ATOM 29 C VAL A 2 2.477 -17.691 2.565 1.00 0.00 C ATOM 30 O VAL A 2 3.187 -16.721 2.819 1.00 0.00 O ATOM 31 CB VAL A 2 4.522 -19.103 2.256 1.00 0.00 C ATOM 32 CG1 VAL A 2 4.682 -19.130 3.769 1.00 0.00 C ATOM 33 CG2 VAL A 2 5.089 -20.372 1.636 1.00 0.00 C ATOM 0 H VAL A 2 3.524 -18.188 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 2 2.479 -19.802 2.181 1.00 0.00 H new ATOM 0 HB VAL A 2 5.081 -18.250 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.735 -19.257 4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.318 -18.193 4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.108 -19.960 4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.134 -20.482 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.522 -21.234 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.017 -20.310 0.550 1.00 0.00 H new ATOM 43 N GLN A 3 1.196 -17.781 2.897 1.00 0.00 N ATOM 44 CA GLN A 3 0.468 -16.746 3.595 1.00 0.00 C ATOM 45 C GLN A 3 -0.473 -17.381 4.626 1.00 0.00 C ATOM 46 O GLN A 3 -1.666 -17.535 4.368 1.00 0.00 O ATOM 47 CB GLN A 3 -0.353 -15.924 2.599 1.00 0.00 C ATOM 48 CG GLN A 3 -1.186 -16.769 1.645 1.00 0.00 C ATOM 49 CD GLN A 3 -0.351 -17.430 0.566 1.00 0.00 C ATOM 50 OE1 GLN A 3 0.793 -17.044 0.325 1.00 0.00 O ATOM 51 NE2 GLN A 3 -0.923 -18.434 -0.090 1.00 0.00 N ATOM 0 H GLN A 3 0.626 -18.599 2.680 1.00 0.00 H new ATOM 0 HA GLN A 3 1.179 -16.094 4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.015 -15.257 3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.321 -15.295 2.018 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.713 -17.537 2.212 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.944 -16.141 1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.874 -18.720 0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.411 -18.919 -0.827 1.00 0.00 H new ATOM 60 N PRO A 4 0.047 -17.765 5.806 1.00 0.00 N ATOM 61 CA PRO A 4 -0.768 -18.389 6.854 1.00 0.00 C ATOM 62 C PRO A 4 -2.001 -17.562 7.199 1.00 0.00 C ATOM 63 O PRO A 4 -1.960 -16.701 8.078 1.00 0.00 O ATOM 64 CB PRO A 4 0.185 -18.466 8.048 1.00 0.00 C ATOM 65 CG PRO A 4 1.542 -18.504 7.437 1.00 0.00 C ATOM 66 CD PRO A 4 1.458 -17.640 6.211 1.00 0.00 C ATOM 0 HA PRO A 4 -1.159 -19.359 6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 4 0.069 -17.604 8.705 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.004 -19.354 8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 4 2.295 -18.128 8.130 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.827 -19.524 7.179 1.00 0.00 H new ATOM 0 HD2 PRO A 4 1.724 -16.606 6.429 1.00 0.00 H new ATOM 0 HD3 PRO A 4 2.134 -17.985 5.428 1.00 0.00 H new ATOM 74 N ILE A 5 -3.097 -17.832 6.499 1.00 0.00 N ATOM 75 CA ILE A 5 -4.347 -17.118 6.724 1.00 0.00 C ATOM 76 C ILE A 5 -5.448 -18.073 7.175 1.00 0.00 C ATOM 77 O ILE A 5 -5.961 -18.863 6.382 1.00 0.00 O ATOM 78 CB ILE A 5 -4.805 -16.376 5.449 1.00 0.00 C ATOM 79 CG1 ILE A 5 -6.086 -15.585 5.718 1.00 0.00 C ATOM 80 CG2 ILE A 5 -5.017 -17.357 4.305 1.00 0.00 C ATOM 81 CD1 ILE A 5 -6.418 -14.593 4.624 1.00 0.00 C ATOM 0 H ILE A 5 -3.144 -18.543 5.769 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.163 -16.387 7.511 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.021 -15.676 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.917 -16.281 5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.984 -15.052 6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.339 -16.815 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.083 -17.877 4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.781 -18.082 4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.338 -14.066 4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.604 -13.875 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.552 -15.123 3.681 1.00 0.00 H new ATOM 93 N THR A 6 -5.809 -17.993 8.451 1.00 0.00 N ATOM 94 CA THR A 6 -6.852 -18.848 9.003 1.00 0.00 C ATOM 95 C THR A 6 -8.222 -18.420 8.487 1.00 0.00 C ATOM 96 O THR A 6 -8.745 -17.378 8.881 1.00 0.00 O ATOM 97 CB THR A 6 -6.828 -18.799 10.532 1.00 0.00 C ATOM 98 OG1 THR A 6 -6.518 -17.493 10.986 1.00 0.00 O ATOM 99 CG2 THR A 6 -5.824 -19.750 11.146 1.00 0.00 C ATOM 0 H THR A 6 -5.395 -17.345 9.121 1.00 0.00 H new ATOM 0 HA THR A 6 -6.662 -19.872 8.682 1.00 0.00 H new ATOM 0 HB THR A 6 -7.827 -19.100 10.847 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.509 -17.481 11.966 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.859 -19.664 12.232 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.066 -20.772 10.855 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.823 -19.499 10.794 1.00 0.00 H new ATOM 107 N ALA A 7 -8.792 -19.224 7.596 1.00 0.00 N ATOM 108 CA ALA A 7 -10.097 -18.918 7.022 1.00 0.00 C ATOM 109 C ALA A 7 -10.053 -17.599 6.259 1.00 0.00 C ATOM 110 O ALA A 7 -9.078 -16.852 6.349 1.00 0.00 O ATOM 111 CB ALA A 7 -11.158 -18.868 8.110 1.00 0.00 C ATOM 0 H ALA A 7 -8.373 -20.090 7.257 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.357 -19.711 6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.126 -18.638 7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.210 -19.834 8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.900 -18.096 8.835 1.00 0.00 H new ATOM 117 N GLN A 8 -11.111 -17.317 5.508 1.00 0.00 N ATOM 118 CA GLN A 8 -11.185 -16.086 4.731 1.00 0.00 C ATOM 119 C GLN A 8 -11.125 -14.864 5.641 1.00 0.00 C ATOM 120 O GLN A 8 -12.152 -14.368 6.105 1.00 0.00 O ATOM 121 CB GLN A 8 -12.467 -16.060 3.893 1.00 0.00 C ATOM 122 CG GLN A 8 -12.213 -16.107 2.395 1.00 0.00 C ATOM 123 CD GLN A 8 -12.533 -17.462 1.793 1.00 0.00 C ATOM 124 OE1 GLN A 8 -11.745 -18.402 1.894 1.00 0.00 O ATOM 125 NE2 GLN A 8 -13.696 -17.568 1.161 1.00 0.00 N ATOM 0 H GLN A 8 -11.927 -17.922 5.421 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.326 -16.056 4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.093 -16.907 4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.028 -15.156 4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.816 -15.343 1.904 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.169 -15.864 2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.319 -16.763 1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.966 -18.455 0.735 1.00 0.00 H new ATOM 134 N LYS A 9 -9.912 -14.386 5.886 1.00 0.00 N ATOM 135 CA LYS A 9 -9.703 -13.220 6.734 1.00 0.00 C ATOM 136 C LYS A 9 -8.783 -12.221 6.041 1.00 0.00 C ATOM 137 O LYS A 9 -8.158 -12.540 5.031 1.00 0.00 O ATOM 138 CB LYS A 9 -9.104 -13.641 8.077 1.00 0.00 C ATOM 139 CG LYS A 9 -10.099 -14.322 9.002 1.00 0.00 C ATOM 140 CD LYS A 9 -10.985 -13.311 9.710 1.00 0.00 C ATOM 141 CE LYS A 9 -12.134 -13.991 10.438 1.00 0.00 C ATOM 142 NZ LYS A 9 -13.374 -14.017 9.614 1.00 0.00 N ATOM 0 H LYS A 9 -9.055 -14.790 5.508 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.667 -12.744 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.268 -14.317 7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.700 -12.761 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.719 -15.011 8.428 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.562 -14.917 9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.390 -12.739 10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.382 -12.602 8.984 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.848 -15.011 10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.331 -13.469 11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.134 -14.488 10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.662 -13.043 9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.194 -14.537 8.732 1.00 0.00 H new ATOM 156 N PRO A 10 -8.688 -10.993 6.571 1.00 0.00 N ATOM 157 CA PRO A 10 -7.847 -9.950 6.002 1.00 0.00 C ATOM 158 C PRO A 10 -6.401 -10.044 6.482 1.00 0.00 C ATOM 159 O PRO A 10 -5.814 -9.050 6.907 1.00 0.00 O ATOM 160 CB PRO A 10 -8.498 -8.649 6.502 1.00 0.00 C ATOM 161 CG PRO A 10 -9.581 -9.051 7.461 1.00 0.00 C ATOM 162 CD PRO A 10 -9.390 -10.513 7.759 1.00 0.00 C ATOM 0 HA PRO A 10 -7.790 -10.021 4.916 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.763 -8.012 6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.910 -8.077 5.670 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.524 -8.461 8.376 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.565 -8.872 7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.805 -10.669 8.666 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.342 -11.025 7.902 1.00 0.00 H new ATOM 170 N SER A 11 -5.827 -11.244 6.418 1.00 0.00 N ATOM 171 CA SER A 11 -4.449 -11.448 6.855 1.00 0.00 C ATOM 172 C SER A 11 -3.802 -12.635 6.145 1.00 0.00 C ATOM 173 O SER A 11 -4.163 -13.786 6.386 1.00 0.00 O ATOM 174 CB SER A 11 -4.402 -11.660 8.368 1.00 0.00 C ATOM 175 OG SER A 11 -5.451 -12.512 8.796 1.00 0.00 O ATOM 0 H SER A 11 -6.291 -12.083 6.070 1.00 0.00 H new ATOM 0 HA SER A 11 -3.885 -10.553 6.595 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.441 -12.092 8.648 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.480 -10.699 8.876 1.00 0.00 H new ATOM 0 HG SER A 11 -5.487 -13.302 8.217 1.00 0.00 H new ATOM 181 N LEU A 12 -2.833 -12.348 5.279 1.00 0.00 N ATOM 182 CA LEU A 12 -2.125 -13.390 4.544 1.00 0.00 C ATOM 183 C LEU A 12 -0.653 -13.010 4.390 1.00 0.00 C ATOM 184 O LEU A 12 -0.329 -11.849 4.148 1.00 0.00 O ATOM 185 CB LEU A 12 -2.789 -13.621 3.177 1.00 0.00 C ATOM 186 CG LEU A 12 -2.025 -13.098 1.955 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.694 -13.568 0.671 1.00 0.00 C ATOM 188 CD2 LEU A 12 -1.930 -11.577 1.983 1.00 0.00 C ATOM 0 H LEU A 12 -2.520 -11.400 5.070 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.178 -14.324 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.947 -14.692 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.773 -13.153 3.191 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.013 -13.500 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.140 -13.189 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.704 -14.658 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.717 -13.195 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.384 -11.230 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.933 -11.150 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.406 -11.262 2.885 1.00 0.00 H new ATOM 200 N THR A 13 0.243 -13.978 4.565 1.00 0.00 N ATOM 201 CA THR A 13 1.668 -13.694 4.468 1.00 0.00 C ATOM 202 C THR A 13 2.200 -13.710 3.037 1.00 0.00 C ATOM 203 O THR A 13 2.266 -14.744 2.385 1.00 0.00 O ATOM 204 CB THR A 13 2.495 -14.628 5.353 1.00 0.00 C ATOM 205 OG1 THR A 13 2.030 -14.587 6.691 1.00 0.00 O ATOM 206 CG2 THR A 13 3.969 -14.281 5.374 1.00 0.00 C ATOM 0 H THR A 13 0.011 -14.950 4.771 1.00 0.00 H new ATOM 0 HA THR A 13 1.780 -12.673 4.833 1.00 0.00 H new ATOM 0 HB THR A 13 2.376 -15.621 4.919 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.684 -15.020 7.278 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.499 -14.981 6.020 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.372 -14.344 4.363 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.099 -13.268 5.754 1.00 0.00 H new ATOM 214 N LEU A 14 2.623 -12.532 2.587 1.00 0.00 N ATOM 215 CA LEU A 14 3.212 -12.351 1.265 1.00 0.00 C ATOM 216 C LEU A 14 4.322 -11.318 1.372 1.00 0.00 C ATOM 217 O LEU A 14 4.388 -10.586 2.358 1.00 0.00 O ATOM 218 CB LEU A 14 2.177 -11.884 0.241 1.00 0.00 C ATOM 219 CG LEU A 14 0.908 -12.736 0.127 1.00 0.00 C ATOM 220 CD1 LEU A 14 -0.017 -12.174 -0.942 1.00 0.00 C ATOM 221 CD2 LEU A 14 1.238 -14.188 -0.180 1.00 0.00 C ATOM 0 H LEU A 14 2.566 -11.672 3.133 1.00 0.00 H new ATOM 0 HA LEU A 14 3.602 -13.310 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.884 -10.864 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.655 -11.848 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 14 0.401 -12.701 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.913 -12.791 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.298 -11.154 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.496 -12.173 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.315 -14.763 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.779 -14.246 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.857 -14.597 0.618 1.00 0.00 H new ATOM 233 N TRP A 15 5.201 -11.254 0.383 1.00 0.00 N ATOM 234 CA TRP A 15 6.294 -10.296 0.438 1.00 0.00 C ATOM 235 C TRP A 15 6.020 -9.063 -0.410 1.00 0.00 C ATOM 236 O TRP A 15 5.358 -9.126 -1.443 1.00 0.00 O ATOM 237 CB TRP A 15 7.630 -10.975 0.088 1.00 0.00 C ATOM 238 CG TRP A 15 8.096 -10.870 -1.339 1.00 0.00 C ATOM 239 CD1 TRP A 15 7.358 -10.614 -2.465 1.00 0.00 C ATOM 240 CD2 TRP A 15 9.444 -11.052 -1.784 1.00 0.00 C ATOM 241 NE1 TRP A 15 8.177 -10.623 -3.570 1.00 0.00 N ATOM 242 CE2 TRP A 15 9.456 -10.887 -3.177 1.00 0.00 C ATOM 243 CE3 TRP A 15 10.645 -11.334 -1.132 1.00 0.00 C ATOM 244 CZ2 TRP A 15 10.619 -10.997 -3.933 1.00 0.00 C ATOM 245 CZ3 TRP A 15 11.799 -11.443 -1.881 1.00 0.00 C ATOM 246 CH2 TRP A 15 11.779 -11.274 -3.269 1.00 0.00 C ATOM 0 H TRP A 15 5.181 -11.841 -0.451 1.00 0.00 H new ATOM 0 HA TRP A 15 6.373 -9.935 1.464 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.403 -10.552 0.729 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.549 -12.032 0.341 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.293 -10.432 -2.482 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.876 -10.458 -4.530 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.671 -11.465 -0.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.604 -10.868 -5.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 12.734 -11.663 -1.387 1.00 0.00 H new ATOM 0 HH2 TRP A 15 12.699 -11.364 -3.827 1.00 0.00 H new ATOM 257 N LEU A 16 6.518 -7.935 0.065 1.00 0.00 N ATOM 258 CA LEU A 16 6.331 -6.660 -0.616 1.00 0.00 C ATOM 259 C LEU A 16 7.651 -5.908 -0.736 1.00 0.00 C ATOM 260 O LEU A 16 8.503 -5.989 0.146 1.00 0.00 O ATOM 261 CB LEU A 16 5.307 -5.805 0.137 1.00 0.00 C ATOM 262 CG LEU A 16 5.460 -5.796 1.663 1.00 0.00 C ATOM 263 CD1 LEU A 16 6.053 -4.476 2.134 1.00 0.00 C ATOM 264 CD2 LEU A 16 4.119 -6.051 2.336 1.00 0.00 C ATOM 0 H LEU A 16 7.060 -7.874 0.927 1.00 0.00 H new ATOM 0 HA LEU A 16 5.959 -6.862 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.377 -4.779 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.307 -6.162 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 16 6.143 -6.598 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.154 -4.489 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.034 -4.335 1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.397 -3.657 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.247 -6.041 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.413 -5.272 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.735 -7.023 2.025 1.00 0.00 H new ATOM 276 N ASP A 17 7.810 -5.176 -1.837 1.00 0.00 N ATOM 277 CA ASP A 17 9.028 -4.408 -2.080 1.00 0.00 C ATOM 278 C ASP A 17 10.235 -5.332 -2.224 1.00 0.00 C ATOM 279 O ASP A 17 10.737 -5.546 -3.326 1.00 0.00 O ATOM 280 CB ASP A 17 9.266 -3.407 -0.948 1.00 0.00 C ATOM 281 CG ASP A 17 8.156 -2.380 -0.841 1.00 0.00 C ATOM 282 OD1 ASP A 17 8.048 -1.525 -1.746 1.00 0.00 O ATOM 283 OD2 ASP A 17 7.392 -2.430 0.148 1.00 0.00 O ATOM 0 H ASP A 17 7.110 -5.099 -2.575 1.00 0.00 H new ATOM 0 HA ASP A 17 8.899 -3.860 -3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.352 -3.944 -0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.215 -2.896 -1.112 1.00 0.00 H new ATOM 288 N ASP A 18 10.693 -5.877 -1.102 1.00 0.00 N ATOM 289 CA ASP A 18 11.837 -6.779 -1.098 1.00 0.00 C ATOM 290 C ASP A 18 11.965 -7.479 0.251 1.00 0.00 C ATOM 291 O ASP A 18 13.071 -7.693 0.750 1.00 0.00 O ATOM 292 CB ASP A 18 13.122 -6.013 -1.415 1.00 0.00 C ATOM 293 CG ASP A 18 13.351 -4.852 -0.466 1.00 0.00 C ATOM 294 OD1 ASP A 18 12.845 -3.746 -0.748 1.00 0.00 O ATOM 295 OD2 ASP A 18 14.040 -5.049 0.557 1.00 0.00 O ATOM 0 H ASP A 18 10.287 -5.709 -0.181 1.00 0.00 H new ATOM 0 HA ASP A 18 11.678 -7.534 -1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.971 -6.695 -1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.076 -5.639 -2.438 1.00 0.00 H new ATOM 300 N LYS A 19 10.826 -7.832 0.837 1.00 0.00 N ATOM 301 CA LYS A 19 10.803 -8.507 2.130 1.00 0.00 C ATOM 302 C LYS A 19 9.417 -9.069 2.425 1.00 0.00 C ATOM 303 O LYS A 19 8.404 -8.473 2.059 1.00 0.00 O ATOM 304 CB LYS A 19 11.221 -7.541 3.240 1.00 0.00 C ATOM 305 CG LYS A 19 10.302 -6.338 3.376 1.00 0.00 C ATOM 306 CD LYS A 19 10.829 -5.143 2.598 1.00 0.00 C ATOM 307 CE LYS A 19 10.604 -3.843 3.353 1.00 0.00 C ATOM 308 NZ LYS A 19 10.403 -2.689 2.432 1.00 0.00 N ATOM 0 H LYS A 19 9.904 -7.661 0.436 1.00 0.00 H new ATOM 0 HA LYS A 19 11.511 -9.335 2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.245 -8.078 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.235 -7.193 3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.306 -6.597 3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.202 -6.073 4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.894 -5.274 2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.334 -5.092 1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.733 -3.946 4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.460 -3.646 3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.287 -1.818 2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.230 -2.595 1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.552 -2.848 1.856 1.00 0.00 H new ATOM 322 N MET A 20 9.379 -10.220 3.088 1.00 0.00 N ATOM 323 CA MET A 20 8.116 -10.865 3.429 1.00 0.00 C ATOM 324 C MET A 20 7.396 -10.116 4.548 1.00 0.00 C ATOM 325 O MET A 20 8.029 -9.493 5.402 1.00 0.00 O ATOM 326 CB MET A 20 8.355 -12.317 3.844 1.00 0.00 C ATOM 327 CG MET A 20 7.592 -13.323 2.995 1.00 0.00 C ATOM 328 SD MET A 20 8.671 -14.292 1.921 1.00 0.00 S ATOM 329 CE MET A 20 7.659 -14.419 0.448 1.00 0.00 C ATOM 0 H MET A 20 10.208 -10.725 3.400 1.00 0.00 H new ATOM 0 HA MET A 20 7.482 -10.845 2.542 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.421 -12.534 3.780 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.066 -12.441 4.888 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.037 -13.996 3.648 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.859 -12.795 2.385 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.622 -15.458 0.120 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.650 -14.072 0.669 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.089 -13.804 -0.343 1.00 0.00 H new ATOM 339 N PHE A 21 6.069 -10.184 4.534 1.00 0.00 N ATOM 340 CA PHE A 21 5.252 -9.516 5.542 1.00 0.00 C ATOM 341 C PHE A 21 3.796 -9.964 5.441 1.00 0.00 C ATOM 342 O PHE A 21 3.455 -10.813 4.621 1.00 0.00 O ATOM 343 CB PHE A 21 5.351 -7.997 5.389 1.00 0.00 C ATOM 344 CG PHE A 21 5.971 -7.316 6.575 1.00 0.00 C ATOM 345 CD1 PHE A 21 5.625 -7.693 7.864 1.00 0.00 C ATOM 346 CD2 PHE A 21 6.898 -6.302 6.404 1.00 0.00 C ATOM 347 CE1 PHE A 21 6.193 -7.070 8.959 1.00 0.00 C ATOM 348 CE2 PHE A 21 7.469 -5.675 7.494 1.00 0.00 C ATOM 349 CZ PHE A 21 7.116 -6.058 8.773 1.00 0.00 C ATOM 0 H PHE A 21 5.534 -10.697 3.833 1.00 0.00 H new ATOM 0 HA PHE A 21 5.630 -9.794 6.526 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.938 -7.767 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.353 -7.590 5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.903 -8.482 8.014 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.178 -5.998 5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.916 -7.373 9.958 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.191 -4.886 7.346 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.560 -5.568 9.627 1.00 0.00 H new ATOM 359 N THR A 22 2.940 -9.393 6.284 1.00 0.00 N ATOM 360 CA THR A 22 1.523 -9.745 6.284 1.00 0.00 C ATOM 361 C THR A 22 0.653 -8.539 5.941 1.00 0.00 C ATOM 362 O THR A 22 0.816 -7.459 6.509 1.00 0.00 O ATOM 363 CB THR A 22 1.117 -10.308 7.647 1.00 0.00 C ATOM 364 OG1 THR A 22 2.182 -11.042 8.223 1.00 0.00 O ATOM 365 CG2 THR A 22 -0.088 -11.222 7.581 1.00 0.00 C ATOM 0 H THR A 22 3.201 -8.688 6.973 1.00 0.00 H new ATOM 0 HA THR A 22 1.368 -10.506 5.519 1.00 0.00 H new ATOM 0 HB THR A 22 0.862 -9.440 8.255 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.904 -11.393 9.095 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.323 -11.587 8.581 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.941 -10.671 7.186 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.132 -12.067 6.929 1.00 0.00 H new ATOM 373 N GLY A 23 -0.278 -8.735 5.010 1.00 0.00 N ATOM 374 CA GLY A 23 -1.170 -7.662 4.608 1.00 0.00 C ATOM 375 C GLY A 23 -2.630 -8.058 4.730 1.00 0.00 C ATOM 376 O GLY A 23 -2.942 -9.132 5.239 1.00 0.00 O ATOM 0 H GLY A 23 -0.430 -9.620 4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.980 -6.783 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.956 -7.380 3.577 1.00 0.00 H new ATOM 380 N LEU A 24 -3.527 -7.191 4.264 1.00 0.00 N ATOM 381 CA LEU A 24 -4.959 -7.473 4.334 1.00 0.00 C ATOM 382 C LEU A 24 -5.554 -7.681 2.942 1.00 0.00 C ATOM 383 O LEU A 24 -5.193 -6.995 1.987 1.00 0.00 O ATOM 384 CB LEU A 24 -5.713 -6.350 5.065 1.00 0.00 C ATOM 385 CG LEU A 24 -5.083 -4.950 5.007 1.00 0.00 C ATOM 386 CD1 LEU A 24 -3.771 -4.910 5.779 1.00 0.00 C ATOM 387 CD2 LEU A 24 -4.880 -4.505 3.565 1.00 0.00 C ATOM 0 H LEU A 24 -3.290 -6.295 3.838 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.077 -8.396 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.719 -6.289 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.817 -6.634 6.112 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.772 -4.251 5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.346 -3.908 5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.955 -5.168 6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.072 -5.626 5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.433 -3.511 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.219 -5.208 3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.842 -4.477 3.054 1.00 0.00 H new ATOM 399 N ILE A 25 -6.470 -8.639 2.840 1.00 0.00 N ATOM 400 CA ILE A 25 -7.121 -8.946 1.570 1.00 0.00 C ATOM 401 C ILE A 25 -8.601 -8.573 1.605 1.00 0.00 C ATOM 402 O ILE A 25 -9.371 -9.130 2.385 1.00 0.00 O ATOM 403 CB ILE A 25 -6.998 -10.444 1.214 1.00 0.00 C ATOM 404 CG1 ILE A 25 -5.615 -10.977 1.595 1.00 0.00 C ATOM 405 CG2 ILE A 25 -7.264 -10.659 -0.268 1.00 0.00 C ATOM 406 CD1 ILE A 25 -4.481 -10.293 0.865 1.00 0.00 C ATOM 0 H ILE A 25 -6.779 -9.217 3.622 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.611 -8.354 0.809 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.745 -10.997 1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.471 -10.855 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.577 -12.046 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.174 -11.719 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.270 -10.318 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.539 -10.094 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.531 -10.722 1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.601 -10.437 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.493 -9.227 1.092 1.00 0.00 H new ATOM 418 N ASN A 26 -8.992 -7.631 0.750 1.00 0.00 N ATOM 419 CA ASN A 26 -10.382 -7.192 0.686 1.00 0.00 C ATOM 420 C ASN A 26 -10.959 -7.427 -0.708 1.00 0.00 C ATOM 421 O ASN A 26 -10.521 -6.821 -1.683 1.00 0.00 O ATOM 422 CB ASN A 26 -10.495 -5.712 1.055 1.00 0.00 C ATOM 423 CG ASN A 26 -9.464 -4.857 0.348 1.00 0.00 C ATOM 424 OD1 ASN A 26 -8.859 -5.279 -0.636 1.00 0.00 O ATOM 425 ND2 ASN A 26 -9.257 -3.644 0.850 1.00 0.00 N ATOM 0 H ASN A 26 -8.368 -7.159 0.095 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.955 -7.779 1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -11.493 -5.354 0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -10.378 -5.600 2.133 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.574 -3.023 0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.781 -3.334 1.668 1.00 0.00 H new ATOM 432 N THR A 27 -11.945 -8.315 -0.790 1.00 0.00 N ATOM 433 CA THR A 27 -12.585 -8.639 -2.063 1.00 0.00 C ATOM 434 C THR A 27 -13.510 -7.518 -2.543 1.00 0.00 C ATOM 435 O THR A 27 -14.224 -7.681 -3.533 1.00 0.00 O ATOM 436 CB THR A 27 -13.374 -9.944 -1.935 1.00 0.00 C ATOM 437 OG1 THR A 27 -13.917 -10.327 -3.186 1.00 0.00 O ATOM 438 CG2 THR A 27 -14.515 -9.857 -0.946 1.00 0.00 C ATOM 0 H THR A 27 -12.319 -8.824 0.010 1.00 0.00 H new ATOM 0 HA THR A 27 -11.796 -8.756 -2.805 1.00 0.00 H new ATOM 0 HB THR A 27 -12.657 -10.681 -1.574 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.174 -9.527 -3.690 1.00 0.00 H new ATOM 0 HG21 THR A 27 -15.033 -10.815 -0.903 1.00 0.00 H new ATOM 0 HG22 THR A 27 -14.123 -9.612 0.041 1.00 0.00 H new ATOM 0 HG23 THR A 27 -15.212 -9.081 -1.262 1.00 0.00 H new ATOM 446 N GLY A 28 -13.498 -6.384 -1.847 1.00 0.00 N ATOM 447 CA GLY A 28 -14.342 -5.269 -2.234 1.00 0.00 C ATOM 448 C GLY A 28 -13.554 -3.990 -2.437 1.00 0.00 C ATOM 449 O GLY A 28 -14.094 -2.892 -2.300 1.00 0.00 O ATOM 0 H GLY A 28 -12.919 -6.219 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.868 -5.518 -3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.100 -5.108 -1.468 1.00 0.00 H new ATOM 453 N ALA A 29 -12.275 -4.134 -2.762 1.00 0.00 N ATOM 454 CA ALA A 29 -11.405 -2.988 -2.985 1.00 0.00 C ATOM 455 C ALA A 29 -11.820 -2.218 -4.233 1.00 0.00 C ATOM 456 O ALA A 29 -12.453 -2.767 -5.134 1.00 0.00 O ATOM 457 CB ALA A 29 -9.960 -3.446 -3.110 1.00 0.00 C ATOM 0 H ALA A 29 -11.817 -5.038 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.497 -2.320 -2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.317 -2.581 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.658 -3.951 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.868 -4.134 -3.950 1.00 0.00 H new ATOM 463 N ASP A 30 -11.454 -0.944 -4.281 1.00 0.00 N ATOM 464 CA ASP A 30 -11.776 -0.089 -5.420 1.00 0.00 C ATOM 465 C ASP A 30 -10.541 0.691 -5.853 1.00 0.00 C ATOM 466 O ASP A 30 -10.230 0.783 -7.042 1.00 0.00 O ATOM 467 CB ASP A 30 -12.910 0.873 -5.061 1.00 0.00 C ATOM 468 CG ASP A 30 -12.583 1.730 -3.854 1.00 0.00 C ATOM 469 OD1 ASP A 30 -12.248 1.159 -2.794 1.00 0.00 O ATOM 470 OD2 ASP A 30 -12.662 2.970 -3.967 1.00 0.00 O ATOM 0 H ASP A 30 -10.931 -0.476 -3.541 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.104 -0.718 -6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.119 1.518 -5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.817 0.302 -4.863 1.00 0.00 H new ATOM 475 N VAL A 31 -9.835 1.242 -4.872 1.00 0.00 N ATOM 476 CA VAL A 31 -8.622 2.007 -5.123 1.00 0.00 C ATOM 477 C VAL A 31 -7.659 1.850 -3.951 1.00 0.00 C ATOM 478 O VAL A 31 -7.877 2.417 -2.885 1.00 0.00 O ATOM 479 CB VAL A 31 -8.932 3.503 -5.339 1.00 0.00 C ATOM 480 CG1 VAL A 31 -9.625 4.091 -4.118 1.00 0.00 C ATOM 481 CG2 VAL A 31 -7.662 4.276 -5.666 1.00 0.00 C ATOM 0 H VAL A 31 -10.087 1.171 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.164 1.619 -6.033 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.609 3.591 -6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.834 5.147 -4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.560 3.560 -3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.977 3.988 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.905 5.328 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.955 4.179 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.216 3.875 -6.576 1.00 0.00 H new ATOM 491 N THR A 32 -6.612 1.055 -4.146 1.00 0.00 N ATOM 492 CA THR A 32 -5.629 0.801 -3.094 1.00 0.00 C ATOM 493 C THR A 32 -5.145 2.086 -2.429 1.00 0.00 C ATOM 494 O THR A 32 -4.698 3.024 -3.092 1.00 0.00 O ATOM 495 CB THR A 32 -4.431 0.029 -3.645 1.00 0.00 C ATOM 496 OG1 THR A 32 -3.341 0.084 -2.743 1.00 0.00 O ATOM 497 CG2 THR A 32 -3.946 0.544 -4.978 1.00 0.00 C ATOM 0 H THR A 32 -6.420 0.574 -5.025 1.00 0.00 H new ATOM 0 HA THR A 32 -6.133 0.201 -2.337 1.00 0.00 H new ATOM 0 HB THR A 32 -4.786 -0.993 -3.777 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.585 -0.417 -3.113 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.094 -0.050 -5.309 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.749 0.468 -5.711 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.644 1.587 -4.877 1.00 0.00 H new ATOM 505 N ILE A 33 -5.218 2.096 -1.106 1.00 0.00 N ATOM 506 CA ILE A 33 -4.772 3.234 -0.307 1.00 0.00 C ATOM 507 C ILE A 33 -3.999 2.765 0.920 1.00 0.00 C ATOM 508 O ILE A 33 -4.573 2.179 1.838 1.00 0.00 O ATOM 509 CB ILE A 33 -5.945 4.116 0.171 1.00 0.00 C ATOM 510 CG1 ILE A 33 -7.018 4.232 -0.910 1.00 0.00 C ATOM 511 CG2 ILE A 33 -5.440 5.497 0.564 1.00 0.00 C ATOM 512 CD1 ILE A 33 -6.532 4.905 -2.176 1.00 0.00 C ATOM 0 H ILE A 33 -5.586 1.320 -0.556 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.130 3.827 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.393 3.642 1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.384 3.235 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.864 4.793 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.277 6.109 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.714 5.403 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.967 5.970 -0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.347 4.952 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.193 5.915 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.706 4.333 -2.598 1.00 0.00 H new ATOM 524 N ILE A 34 -2.699 3.038 0.940 1.00 0.00 N ATOM 525 CA ILE A 34 -1.856 2.653 2.064 1.00 0.00 C ATOM 526 C ILE A 34 -1.333 3.894 2.776 1.00 0.00 C ATOM 527 O ILE A 34 -0.807 4.800 2.142 1.00 0.00 O ATOM 528 CB ILE A 34 -0.670 1.767 1.619 1.00 0.00 C ATOM 529 CG1 ILE A 34 -0.371 0.715 2.687 1.00 0.00 C ATOM 530 CG2 ILE A 34 0.568 2.609 1.345 1.00 0.00 C ATOM 531 CD1 ILE A 34 -0.987 -0.634 2.396 1.00 0.00 C ATOM 0 H ILE A 34 -2.207 3.524 0.190 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.471 2.068 2.748 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.948 1.264 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.709 0.600 2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.737 1.072 3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.387 1.961 1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.352 3.327 0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.852 3.143 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.733 -1.330 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.071 -0.533 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.602 -1.013 1.449 1.00 0.00 H new ATOM 543 N LYS A 35 -1.485 3.936 4.085 1.00 0.00 N ATOM 544 CA LYS A 35 -1.039 5.078 4.862 1.00 0.00 C ATOM 545 C LYS A 35 0.449 5.341 4.701 1.00 0.00 C ATOM 546 O LYS A 35 1.200 4.494 4.218 1.00 0.00 O ATOM 547 CB LYS A 35 -1.374 4.891 6.344 1.00 0.00 C ATOM 548 CG LYS A 35 -1.366 3.447 6.826 1.00 0.00 C ATOM 549 CD LYS A 35 -0.101 2.709 6.421 1.00 0.00 C ATOM 550 CE LYS A 35 -0.108 1.282 6.947 1.00 0.00 C ATOM 551 NZ LYS A 35 -0.349 0.289 5.864 1.00 0.00 N ATOM 0 H LYS A 35 -1.915 3.192 4.635 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.574 5.946 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.659 5.461 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.359 5.317 6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.463 3.428 7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.233 2.926 6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.014 2.699 5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.771 3.238 6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.846 1.069 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.880 1.181 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.430 -0.662 6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.230 0.526 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.445 0.308 5.193 1.00 0.00 H new ATOM 565 N LEU A 36 0.858 6.536 5.113 1.00 0.00 N ATOM 566 CA LEU A 36 2.250 6.950 5.023 1.00 0.00 C ATOM 567 C LEU A 36 3.139 6.111 5.935 1.00 0.00 C ATOM 568 O LEU A 36 4.336 5.963 5.690 1.00 0.00 O ATOM 569 CB LEU A 36 2.377 8.428 5.385 1.00 0.00 C ATOM 570 CG LEU A 36 3.212 9.254 4.412 1.00 0.00 C ATOM 571 CD1 LEU A 36 3.082 10.736 4.716 1.00 0.00 C ATOM 572 CD2 LEU A 36 4.667 8.818 4.463 1.00 0.00 C ATOM 0 H LEU A 36 0.238 7.239 5.516 1.00 0.00 H new ATOM 0 HA LEU A 36 2.583 6.797 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.378 8.861 5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.817 8.508 6.379 1.00 0.00 H new ATOM 0 HG LEU A 36 2.837 9.083 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.686 11.307 4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.038 11.036 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.429 10.931 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.251 9.416 3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.054 8.959 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.741 7.765 4.190 1.00 0.00 H new ATOM 584 N GLU A 37 2.544 5.570 6.993 1.00 0.00 N ATOM 585 CA GLU A 37 3.280 4.751 7.950 1.00 0.00 C ATOM 586 C GLU A 37 3.939 3.549 7.276 1.00 0.00 C ATOM 587 O GLU A 37 4.861 2.948 7.830 1.00 0.00 O ATOM 588 CB GLU A 37 2.343 4.270 9.062 1.00 0.00 C ATOM 589 CG GLU A 37 1.778 5.396 9.913 1.00 0.00 C ATOM 590 CD GLU A 37 0.554 4.972 10.701 1.00 0.00 C ATOM 591 OE1 GLU A 37 -0.259 4.191 10.162 1.00 0.00 O ATOM 592 OE2 GLU A 37 0.409 5.420 11.858 1.00 0.00 O ATOM 0 H GLU A 37 1.554 5.684 7.210 1.00 0.00 H new ATOM 0 HA GLU A 37 4.068 5.372 8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.518 3.715 8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.883 3.576 9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.546 5.746 10.602 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.519 6.237 9.270 1.00 0.00 H new ATOM 599 N ASP A 38 3.458 3.189 6.089 1.00 0.00 N ATOM 600 CA ASP A 38 4.005 2.046 5.362 1.00 0.00 C ATOM 601 C ASP A 38 4.737 2.479 4.094 1.00 0.00 C ATOM 602 O ASP A 38 4.877 1.694 3.156 1.00 0.00 O ATOM 603 CB ASP A 38 2.885 1.064 5.011 1.00 0.00 C ATOM 604 CG ASP A 38 2.973 -0.222 5.809 1.00 0.00 C ATOM 605 OD1 ASP A 38 2.888 -0.156 7.053 1.00 0.00 O ATOM 606 OD2 ASP A 38 3.127 -1.295 5.189 1.00 0.00 O ATOM 0 H ASP A 38 2.695 3.669 5.612 1.00 0.00 H new ATOM 0 HA ASP A 38 4.730 1.555 6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.920 1.537 5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.929 0.832 3.947 1.00 0.00 H new ATOM 611 N TRP A 39 5.207 3.722 4.062 1.00 0.00 N ATOM 612 CA TRP A 39 5.924 4.229 2.898 1.00 0.00 C ATOM 613 C TRP A 39 7.441 4.174 3.125 1.00 0.00 C ATOM 614 O TRP A 39 7.917 4.367 4.244 1.00 0.00 O ATOM 615 CB TRP A 39 5.472 5.660 2.564 1.00 0.00 C ATOM 616 CG TRP A 39 6.597 6.582 2.193 1.00 0.00 C ATOM 617 CD1 TRP A 39 7.081 6.817 0.940 1.00 0.00 C ATOM 618 CD2 TRP A 39 7.382 7.384 3.085 1.00 0.00 C ATOM 619 NE1 TRP A 39 8.123 7.708 0.996 1.00 0.00 N ATOM 620 CE2 TRP A 39 8.325 8.075 2.300 1.00 0.00 C ATOM 621 CE3 TRP A 39 7.380 7.583 4.467 1.00 0.00 C ATOM 622 CZ2 TRP A 39 9.255 8.951 2.853 1.00 0.00 C ATOM 623 CZ3 TRP A 39 8.304 8.454 5.016 1.00 0.00 C ATOM 624 CH2 TRP A 39 9.230 9.127 4.211 1.00 0.00 C ATOM 0 H TRP A 39 5.105 4.393 4.824 1.00 0.00 H new ATOM 0 HA TRP A 39 5.687 3.590 2.047 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.759 5.622 1.740 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.944 6.074 3.423 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.700 6.367 0.035 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.660 8.043 0.196 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.670 7.066 5.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.970 9.473 2.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 8.311 8.617 6.084 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.940 9.799 4.670 1.00 0.00 H new ATOM 635 N PRO A 40 8.216 3.908 2.056 1.00 0.00 N ATOM 636 CA PRO A 40 9.682 3.823 2.130 1.00 0.00 C ATOM 637 C PRO A 40 10.349 5.184 2.319 1.00 0.00 C ATOM 638 O PRO A 40 10.086 6.118 1.563 1.00 0.00 O ATOM 639 CB PRO A 40 10.064 3.251 0.764 1.00 0.00 C ATOM 640 CG PRO A 40 8.973 3.699 -0.141 1.00 0.00 C ATOM 641 CD PRO A 40 7.723 3.660 0.689 1.00 0.00 C ATOM 0 HA PRO A 40 10.005 3.225 2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.033 3.624 0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.135 2.164 0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.163 4.704 -0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.889 3.044 -1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.008 4.420 0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.219 2.697 0.612 1.00 0.00 H new ATOM 649 N PRO A 41 11.240 5.316 3.321 1.00 0.00 N ATOM 650 CA PRO A 41 11.950 6.570 3.582 1.00 0.00 C ATOM 651 C PRO A 41 13.007 6.863 2.518 1.00 0.00 C ATOM 652 O PRO A 41 13.573 7.955 2.478 1.00 0.00 O ATOM 653 CB PRO A 41 12.621 6.343 4.947 1.00 0.00 C ATOM 654 CG PRO A 41 12.070 5.056 5.468 1.00 0.00 C ATOM 655 CD PRO A 41 11.638 4.267 4.267 1.00 0.00 C ATOM 0 HA PRO A 41 11.273 7.424 3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.705 6.290 4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.405 7.165 5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 41 12.823 4.513 6.039 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.229 5.236 6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.447 3.652 3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.811 3.595 4.499 1.00 0.00 H new ATOM 663 N ASN A 42 13.273 5.876 1.660 1.00 0.00 N ATOM 664 CA ASN A 42 14.264 6.024 0.599 1.00 0.00 C ATOM 665 C ASN A 42 14.028 7.296 -0.210 1.00 0.00 C ATOM 666 O ASN A 42 14.957 8.062 -0.463 1.00 0.00 O ATOM 667 CB ASN A 42 14.229 4.807 -0.327 1.00 0.00 C ATOM 668 CG ASN A 42 15.467 4.702 -1.195 1.00 0.00 C ATOM 669 OD1 ASN A 42 15.597 5.402 -2.200 1.00 0.00 O ATOM 670 ND2 ASN A 42 16.387 3.824 -0.811 1.00 0.00 N ATOM 0 H ASN A 42 12.814 4.965 1.682 1.00 0.00 H new ATOM 0 HA ASN A 42 15.246 6.097 1.067 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.131 3.902 0.272 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.346 4.865 -0.964 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.242 3.710 -1.356 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.239 3.264 0.029 1.00 0.00 H new ATOM 677 N TRP A 43 12.781 7.513 -0.616 1.00 0.00 N ATOM 678 CA TRP A 43 12.429 8.693 -1.397 1.00 0.00 C ATOM 679 C TRP A 43 11.328 9.496 -0.704 1.00 0.00 C ATOM 680 O TRP A 43 10.398 8.922 -0.137 1.00 0.00 O ATOM 681 CB TRP A 43 11.983 8.283 -2.805 1.00 0.00 C ATOM 682 CG TRP A 43 10.618 7.661 -2.855 1.00 0.00 C ATOM 683 CD1 TRP A 43 9.421 8.300 -2.707 1.00 0.00 C ATOM 684 CD2 TRP A 43 10.309 6.279 -3.070 1.00 0.00 C ATOM 685 NE1 TRP A 43 8.388 7.402 -2.816 1.00 0.00 N ATOM 686 CE2 TRP A 43 8.907 6.155 -3.038 1.00 0.00 C ATOM 687 CE3 TRP A 43 11.080 5.134 -3.285 1.00 0.00 C ATOM 688 CZ2 TRP A 43 8.262 4.937 -3.215 1.00 0.00 C ATOM 689 CZ3 TRP A 43 10.437 3.923 -3.460 1.00 0.00 C ATOM 690 CH2 TRP A 43 9.039 3.835 -3.424 1.00 0.00 C ATOM 0 H TRP A 43 11.999 6.889 -0.418 1.00 0.00 H new ATOM 0 HA TRP A 43 13.313 9.326 -1.478 1.00 0.00 H new ATOM 0 HB2 TRP A 43 11.994 9.162 -3.449 1.00 0.00 H new ATOM 0 HB3 TRP A 43 12.707 7.579 -3.214 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.303 9.359 -2.530 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.396 7.627 -2.743 1.00 0.00 H new ATOM 0 HE3 TRP A 43 12.158 5.194 -3.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.185 4.865 -3.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 11.021 3.030 -3.627 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.566 2.874 -3.565 1.00 0.00 H new ATOM 701 N PRO A 44 11.408 10.840 -0.743 1.00 0.00 N ATOM 702 CA PRO A 44 10.402 11.702 -0.120 1.00 0.00 C ATOM 703 C PRO A 44 9.070 11.620 -0.847 1.00 0.00 C ATOM 704 O PRO A 44 9.023 11.319 -2.038 1.00 0.00 O ATOM 705 CB PRO A 44 10.981 13.116 -0.242 1.00 0.00 C ATOM 706 CG PRO A 44 12.396 12.943 -0.690 1.00 0.00 C ATOM 707 CD PRO A 44 12.464 11.623 -1.400 1.00 0.00 C ATOM 0 HA PRO A 44 10.204 11.409 0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.414 13.709 -0.959 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.935 13.640 0.712 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.694 13.755 -1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.077 12.960 0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.281 11.730 -2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.442 11.155 -1.289 1.00 0.00 H new ATOM 715 N ILE A 45 7.987 11.882 -0.131 1.00 0.00 N ATOM 716 CA ILE A 45 6.662 11.819 -0.729 1.00 0.00 C ATOM 717 C ILE A 45 5.820 13.050 -0.413 1.00 0.00 C ATOM 718 O ILE A 45 6.237 13.942 0.323 1.00 0.00 O ATOM 719 CB ILE A 45 5.896 10.559 -0.279 1.00 0.00 C ATOM 720 CG1 ILE A 45 6.094 10.300 1.217 1.00 0.00 C ATOM 721 CG2 ILE A 45 6.326 9.349 -1.088 1.00 0.00 C ATOM 722 CD1 ILE A 45 4.874 10.620 2.042 1.00 0.00 C ATOM 0 H ILE A 45 7.998 12.138 0.856 1.00 0.00 H new ATOM 0 HA ILE A 45 6.826 11.779 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 45 4.835 10.733 -0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.361 9.254 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.933 10.897 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.772 8.472 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.121 9.526 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.394 9.179 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.081 10.415 3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.619 11.673 1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.038 10.004 1.710 1.00 0.00 H new ATOM 734 N THR A 46 4.625 13.073 -0.993 1.00 0.00 N ATOM 735 CA THR A 46 3.677 14.168 -0.819 1.00 0.00 C ATOM 736 C THR A 46 3.094 14.189 0.597 1.00 0.00 C ATOM 737 O THR A 46 3.441 13.357 1.433 1.00 0.00 O ATOM 738 CB THR A 46 2.570 14.078 -1.866 1.00 0.00 C ATOM 739 OG1 THR A 46 2.457 12.763 -2.364 1.00 0.00 O ATOM 740 CG2 THR A 46 2.800 14.991 -3.050 1.00 0.00 C ATOM 0 H THR A 46 4.285 12.328 -1.601 1.00 0.00 H new ATOM 0 HA THR A 46 4.214 15.106 -0.960 1.00 0.00 H new ATOM 0 HB THR A 46 1.659 14.386 -1.352 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.991 12.779 -3.226 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.979 14.881 -3.759 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.849 16.025 -2.708 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.738 14.726 -3.537 1.00 0.00 H new ATOM 748 N ASP A 47 2.209 15.153 0.859 1.00 0.00 N ATOM 749 CA ASP A 47 1.580 15.293 2.171 1.00 0.00 C ATOM 750 C ASP A 47 0.709 16.548 2.265 1.00 0.00 C ATOM 751 O ASP A 47 -0.286 16.565 2.985 1.00 0.00 O ATOM 752 CB ASP A 47 2.643 15.383 3.259 1.00 0.00 C ATOM 753 CG ASP A 47 2.309 14.536 4.471 1.00 0.00 C ATOM 754 OD1 ASP A 47 1.457 14.964 5.279 1.00 0.00 O ATOM 755 OD2 ASP A 47 2.900 13.447 4.614 1.00 0.00 O ATOM 0 H ASP A 47 1.912 15.850 0.176 1.00 0.00 H new ATOM 0 HA ASP A 47 0.952 14.413 2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.603 15.065 2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.756 16.423 3.567 1.00 0.00 H new ATOM 760 N THR A 48 1.097 17.613 1.564 1.00 0.00 N ATOM 761 CA THR A 48 0.345 18.872 1.631 1.00 0.00 C ATOM 762 C THR A 48 -0.018 19.432 0.257 1.00 0.00 C ATOM 763 O THR A 48 0.848 19.884 -0.494 1.00 0.00 O ATOM 764 CB THR A 48 1.148 19.916 2.411 1.00 0.00 C ATOM 765 OG1 THR A 48 0.490 21.170 2.391 1.00 0.00 O ATOM 766 CG2 THR A 48 2.546 20.122 1.873 1.00 0.00 C ATOM 0 H THR A 48 1.913 17.634 0.952 1.00 0.00 H new ATOM 0 HA THR A 48 -0.592 18.648 2.142 1.00 0.00 H new ATOM 0 HB THR A 48 1.223 19.524 3.425 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.017 21.824 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.059 20.874 2.472 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.097 19.183 1.921 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.492 20.458 0.837 1.00 0.00 H new ATOM 774 N LEU A 49 -1.320 19.440 -0.038 1.00 0.00 N ATOM 775 CA LEU A 49 -1.835 19.989 -1.299 1.00 0.00 C ATOM 776 C LEU A 49 -2.889 21.065 -1.020 1.00 0.00 C ATOM 777 O LEU A 49 -3.164 21.385 0.129 1.00 0.00 O ATOM 778 CB LEU A 49 -2.321 18.876 -2.268 1.00 0.00 C ATOM 779 CG LEU A 49 -3.816 18.556 -2.343 1.00 0.00 C ATOM 780 CD1 LEU A 49 -4.469 18.723 -1.003 1.00 0.00 C ATOM 781 CD2 LEU A 49 -4.508 19.404 -3.396 1.00 0.00 C ATOM 0 H LEU A 49 -2.042 19.071 0.581 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.015 20.478 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.992 19.147 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.801 17.956 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.918 17.512 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.531 18.490 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.003 18.049 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.349 19.752 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.568 19.154 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.391 20.459 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.062 19.209 -4.371 1.00 0.00 H new ATOM 793 N THR A 50 -3.417 21.664 -2.067 1.00 0.00 N ATOM 794 CA THR A 50 -4.388 22.752 -1.928 1.00 0.00 C ATOM 795 C THR A 50 -5.784 22.385 -2.425 1.00 0.00 C ATOM 796 O THR A 50 -5.950 21.860 -3.526 1.00 0.00 O ATOM 797 CB THR A 50 -3.892 23.993 -2.672 1.00 0.00 C ATOM 798 OG1 THR A 50 -4.790 25.074 -2.498 1.00 0.00 O ATOM 799 CG2 THR A 50 -3.723 23.771 -4.159 1.00 0.00 C ATOM 0 H THR A 50 -3.195 21.421 -3.032 1.00 0.00 H new ATOM 0 HA THR A 50 -4.474 22.954 -0.860 1.00 0.00 H new ATOM 0 HB THR A 50 -2.916 24.217 -2.241 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.329 25.917 -2.691 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.369 24.690 -4.626 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.997 22.975 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.681 23.488 -4.596 1.00 0.00 H new ATOM 807 N ASN A 51 -6.786 22.719 -1.622 1.00 0.00 N ATOM 808 CA ASN A 51 -8.177 22.480 -1.978 1.00 0.00 C ATOM 809 C ASN A 51 -8.974 23.754 -1.752 1.00 0.00 C ATOM 810 O ASN A 51 -9.414 24.038 -0.632 1.00 0.00 O ATOM 811 CB ASN A 51 -8.764 21.331 -1.158 1.00 0.00 C ATOM 812 CG ASN A 51 -10.112 20.875 -1.683 1.00 0.00 C ATOM 813 OD1 ASN A 51 -11.071 21.646 -1.716 1.00 0.00 O ATOM 814 ND2 ASN A 51 -10.190 19.617 -2.100 1.00 0.00 N ATOM 0 H ASN A 51 -6.658 23.160 -0.711 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.230 22.196 -3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.070 20.490 -1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.869 21.646 -0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.070 19.255 -2.466 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.369 19.013 -2.054 1.00 0.00 H new ATOM 821 N LEU A 52 -9.129 24.546 -2.800 1.00 0.00 N ATOM 822 CA LEU A 52 -9.841 25.802 -2.671 1.00 0.00 C ATOM 823 C LEU A 52 -11.314 25.677 -3.033 1.00 0.00 C ATOM 824 O LEU A 52 -11.682 25.074 -4.041 1.00 0.00 O ATOM 825 CB LEU A 52 -9.186 26.895 -3.515 1.00 0.00 C ATOM 826 CG LEU A 52 -7.668 27.026 -3.366 1.00 0.00 C ATOM 827 CD1 LEU A 52 -7.229 26.779 -1.929 1.00 0.00 C ATOM 828 CD2 LEU A 52 -6.968 26.069 -4.309 1.00 0.00 C ATOM 0 H LEU A 52 -8.776 24.344 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.783 26.081 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.415 26.705 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.642 27.851 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.388 28.047 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.146 26.879 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.705 27.507 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.521 25.773 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.889 26.170 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.263 25.046 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.248 26.301 -5.337 1.00 0.00 H new ATOM 840 N ARG A 53 -12.141 26.286 -2.195 1.00 0.00 N ATOM 841 CA ARG A 53 -13.583 26.301 -2.380 1.00 0.00 C ATOM 842 C ARG A 53 -14.003 27.504 -3.219 1.00 0.00 C ATOM 843 O ARG A 53 -15.173 27.865 -3.247 1.00 0.00 O ATOM 844 CB ARG A 53 -14.298 26.328 -1.029 1.00 0.00 C ATOM 845 CG ARG A 53 -14.171 25.031 -0.247 1.00 0.00 C ATOM 846 CD ARG A 53 -15.069 23.944 -0.818 1.00 0.00 C ATOM 847 NE ARG A 53 -14.399 22.646 -0.861 1.00 0.00 N ATOM 848 CZ ARG A 53 -14.202 21.878 0.207 1.00 0.00 C ATOM 849 NH1 ARG A 53 -14.622 22.272 1.404 1.00 0.00 N ATOM 850 NH2 ARG A 53 -13.583 20.711 0.081 1.00 0.00 N ATOM 0 H ARG A 53 -11.827 26.786 -1.363 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.868 25.391 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.894 27.144 -0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.354 26.543 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.134 24.694 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -14.431 25.208 0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.972 23.866 -0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.382 24.224 -1.824 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.063 22.309 -1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.099 23.168 1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.468 21.679 2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.258 20.402 -0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.432 20.123 0.900 1.00 0.00 H new ATOM 864 N GLY A 54 -13.029 28.163 -3.841 1.00 0.00 N ATOM 865 CA GLY A 54 -13.311 29.350 -4.625 1.00 0.00 C ATOM 866 C GLY A 54 -13.707 30.471 -3.717 1.00 0.00 C ATOM 867 O GLY A 54 -12.955 31.420 -3.494 1.00 0.00 O ATOM 0 H GLY A 54 -12.046 27.893 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.432 29.632 -5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.111 29.146 -5.337 1.00 0.00 H new ATOM 871 N ILE A 55 -14.873 30.309 -3.142 1.00 0.00 N ATOM 872 CA ILE A 55 -15.390 31.249 -2.178 1.00 0.00 C ATOM 873 C ILE A 55 -14.684 31.026 -0.853 1.00 0.00 C ATOM 874 O ILE A 55 -14.657 31.900 0.014 1.00 0.00 O ATOM 875 CB ILE A 55 -16.904 31.070 -1.984 1.00 0.00 C ATOM 876 CG1 ILE A 55 -17.210 29.632 -1.538 1.00 0.00 C ATOM 877 CG2 ILE A 55 -17.640 31.417 -3.272 1.00 0.00 C ATOM 878 CD1 ILE A 55 -18.642 29.211 -1.759 1.00 0.00 C ATOM 0 H ILE A 55 -15.492 29.520 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 55 -15.211 32.260 -2.544 1.00 0.00 H new ATOM 0 HB ILE A 55 -17.251 31.748 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -16.554 28.948 -2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -16.973 29.533 -0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -18.712 31.287 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -17.434 32.453 -3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -17.302 30.760 -4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -18.776 28.184 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -19.305 29.869 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -18.880 29.275 -2.821 1.00 0.00 H new ATOM 890 N GLY A 56 -14.108 29.832 -0.710 1.00 0.00 N ATOM 891 CA GLY A 56 -13.397 29.495 0.514 1.00 0.00 C ATOM 892 C GLY A 56 -12.125 28.690 0.274 1.00 0.00 C ATOM 893 O GLY A 56 -12.019 27.548 0.722 1.00 0.00 O ATOM 0 H GLY A 56 -14.121 29.096 -1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.142 30.414 1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.060 28.926 1.166 1.00 0.00 H new ATOM 897 N GLN A 57 -11.161 29.282 -0.429 1.00 0.00 N ATOM 898 CA GLN A 57 -9.901 28.610 -0.719 1.00 0.00 C ATOM 899 C GLN A 57 -9.203 28.145 0.560 1.00 0.00 C ATOM 900 O GLN A 57 -8.612 28.950 1.280 1.00 0.00 O ATOM 901 CB GLN A 57 -8.975 29.544 -1.500 1.00 0.00 C ATOM 902 CG GLN A 57 -8.865 30.935 -0.898 1.00 0.00 C ATOM 903 CD GLN A 57 -7.493 31.550 -1.097 1.00 0.00 C ATOM 904 OE1 GLN A 57 -7.317 32.453 -1.913 1.00 0.00 O ATOM 905 NE2 GLN A 57 -6.512 31.060 -0.346 1.00 0.00 N ATOM 0 H GLN A 57 -11.231 30.227 -0.807 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.127 27.730 -1.321 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.981 29.099 -1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -9.338 29.628 -2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.618 31.582 -1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.085 30.884 0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.704 30.310 0.318 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.567 31.434 -0.434 1.00 0.00 H new ATOM 914 N SER A 58 -9.263 26.841 0.830 1.00 0.00 N ATOM 915 CA SER A 58 -8.623 26.276 2.013 1.00 0.00 C ATOM 916 C SER A 58 -7.499 25.329 1.605 1.00 0.00 C ATOM 917 O SER A 58 -7.389 24.958 0.437 1.00 0.00 O ATOM 918 CB SER A 58 -9.649 25.531 2.867 1.00 0.00 C ATOM 919 OG SER A 58 -10.315 24.534 2.113 1.00 0.00 O ATOM 0 H SER A 58 -9.747 26.159 0.246 1.00 0.00 H new ATOM 0 HA SER A 58 -8.201 27.091 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.151 25.073 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.378 26.238 3.264 1.00 0.00 H new ATOM 0 HG SER A 58 -9.904 24.466 1.226 1.00 0.00 H new ATOM 925 N ASN A 59 -6.671 24.932 2.565 1.00 0.00 N ATOM 926 CA ASN A 59 -5.574 24.017 2.274 1.00 0.00 C ATOM 927 C ASN A 59 -6.000 22.577 2.498 1.00 0.00 C ATOM 928 O ASN A 59 -6.934 22.288 3.246 1.00 0.00 O ATOM 929 CB ASN A 59 -4.332 24.333 3.107 1.00 0.00 C ATOM 930 CG ASN A 59 -4.113 25.821 3.289 1.00 0.00 C ATOM 931 OD1 ASN A 59 -4.796 26.469 4.081 1.00 0.00 O ATOM 932 ND2 ASN A 59 -3.154 26.373 2.552 1.00 0.00 N ATOM 0 H ASN A 59 -6.737 25.225 3.540 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.314 24.151 1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.426 23.861 4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.456 23.897 2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.961 27.371 2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.611 25.798 1.907 1.00 0.00 H new ATOM 939 N ASN A 60 -5.311 21.690 1.811 1.00 0.00 N ATOM 940 CA ASN A 60 -5.576 20.270 1.860 1.00 0.00 C ATOM 941 C ASN A 60 -4.251 19.494 1.848 1.00 0.00 C ATOM 942 O ASN A 60 -3.181 20.093 1.878 1.00 0.00 O ATOM 943 CB ASN A 60 -6.517 19.866 0.724 1.00 0.00 C ATOM 944 CG ASN A 60 -7.956 19.763 1.190 1.00 0.00 C ATOM 945 OD1 ASN A 60 -8.470 20.658 1.860 1.00 0.00 O ATOM 946 ND2 ASN A 60 -8.612 18.665 0.836 1.00 0.00 N ATOM 0 H ASN A 60 -4.539 21.941 1.193 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.087 20.018 2.789 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.448 20.597 -0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.199 18.908 0.313 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.583 18.537 1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.145 17.949 0.280 1.00 0.00 H new ATOM 953 N PRO A 61 -4.299 18.155 1.874 1.00 0.00 N ATOM 954 CA PRO A 61 -3.118 17.297 1.922 1.00 0.00 C ATOM 955 C PRO A 61 -2.752 16.616 0.591 1.00 0.00 C ATOM 956 O PRO A 61 -3.594 15.977 -0.039 1.00 0.00 O ATOM 957 CB PRO A 61 -3.605 16.240 2.902 1.00 0.00 C ATOM 958 CG PRO A 61 -5.050 16.051 2.536 1.00 0.00 C ATOM 959 CD PRO A 61 -5.508 17.346 1.888 1.00 0.00 C ATOM 0 HA PRO A 61 -2.216 17.853 2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.042 15.312 2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.494 16.570 3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.169 15.212 1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.647 15.828 3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.893 17.179 0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.305 17.822 2.459 1.00 0.00 H new ATOM 967 N LYS A 62 -1.474 16.705 0.210 1.00 0.00 N ATOM 968 CA LYS A 62 -0.974 16.045 -1.000 1.00 0.00 C ATOM 969 C LYS A 62 -0.810 14.567 -0.701 1.00 0.00 C ATOM 970 O LYS A 62 -0.120 14.206 0.249 1.00 0.00 O ATOM 971 CB LYS A 62 0.388 16.607 -1.424 1.00 0.00 C ATOM 972 CG LYS A 62 0.337 17.732 -2.434 1.00 0.00 C ATOM 973 CD LYS A 62 1.706 18.006 -3.038 1.00 0.00 C ATOM 974 CE LYS A 62 1.942 19.495 -3.226 1.00 0.00 C ATOM 975 NZ LYS A 62 2.927 19.770 -4.308 1.00 0.00 N ATOM 0 H LYS A 62 -0.765 17.229 0.723 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.685 16.216 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.909 16.962 -0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.984 15.795 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.367 17.478 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.037 18.636 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.480 17.592 -2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.789 17.499 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.997 19.985 -3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.300 19.926 -2.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.060 20.797 -4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.836 19.324 -4.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.574 19.381 -5.206 1.00 0.00 H new ATOM 989 N GLN A 63 -1.446 13.726 -1.493 1.00 0.00 N ATOM 990 CA GLN A 63 -1.380 12.281 -1.281 1.00 0.00 C ATOM 991 C GLN A 63 -0.277 11.612 -2.096 1.00 0.00 C ATOM 992 O GLN A 63 -0.245 11.698 -3.323 1.00 0.00 O ATOM 993 CB GLN A 63 -2.726 11.636 -1.611 1.00 0.00 C ATOM 994 CG GLN A 63 -3.886 12.209 -0.816 1.00 0.00 C ATOM 995 CD GLN A 63 -4.635 13.287 -1.573 1.00 0.00 C ATOM 996 OE1 GLN A 63 -4.603 13.334 -2.803 1.00 0.00 O ATOM 997 NE2 GLN A 63 -5.313 14.162 -0.841 1.00 0.00 N ATOM 0 H GLN A 63 -2.015 14.011 -2.290 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.141 12.130 -0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.928 11.761 -2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.662 10.564 -1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.576 11.406 -0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.511 12.622 0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.312 14.085 0.176 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.835 14.911 -1.296 1.00 0.00 H new ATOM 1006 N SER A 64 0.616 10.932 -1.383 1.00 0.00 N ATOM 1007 CA SER A 64 1.734 10.212 -1.994 1.00 0.00 C ATOM 1008 C SER A 64 1.255 9.232 -3.060 1.00 0.00 C ATOM 1009 O SER A 64 0.073 8.897 -3.136 1.00 0.00 O ATOM 1010 CB SER A 64 2.517 9.470 -0.914 1.00 0.00 C ATOM 1011 OG SER A 64 3.117 8.291 -1.422 1.00 0.00 O ATOM 0 H SER A 64 0.587 10.863 -0.366 1.00 0.00 H new ATOM 0 HA SER A 64 2.381 10.941 -2.482 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.288 10.125 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.850 9.214 -0.091 1.00 0.00 H new ATOM 0 HG SER A 64 3.612 7.841 -0.706 1.00 0.00 H new ATOM 1017 N SER A 65 2.194 8.783 -3.886 1.00 0.00 N ATOM 1018 CA SER A 65 1.897 7.848 -4.963 1.00 0.00 C ATOM 1019 C SER A 65 2.624 6.516 -4.761 1.00 0.00 C ATOM 1020 O SER A 65 2.247 5.509 -5.358 1.00 0.00 O ATOM 1021 CB SER A 65 2.282 8.459 -6.311 1.00 0.00 C ATOM 1022 OG SER A 65 3.445 9.260 -6.193 1.00 0.00 O ATOM 0 H SER A 65 3.175 9.055 -3.828 1.00 0.00 H new ATOM 0 HA SER A 65 0.825 7.651 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.455 7.665 -7.038 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.457 9.063 -6.689 1.00 0.00 H new ATOM 0 HG SER A 65 3.672 9.638 -7.068 1.00 0.00 H new ATOM 1028 N LYS A 66 3.673 6.529 -3.925 1.00 0.00 N ATOM 1029 CA LYS A 66 4.480 5.334 -3.631 1.00 0.00 C ATOM 1030 C LYS A 66 3.782 4.043 -4.057 1.00 0.00 C ATOM 1031 O LYS A 66 2.818 3.613 -3.426 1.00 0.00 O ATOM 1032 CB LYS A 66 4.801 5.277 -2.132 1.00 0.00 C ATOM 1033 CG LYS A 66 5.443 3.970 -1.680 1.00 0.00 C ATOM 1034 CD LYS A 66 4.686 3.345 -0.518 1.00 0.00 C ATOM 1035 CE LYS A 66 3.886 2.130 -0.958 1.00 0.00 C ATOM 1036 NZ LYS A 66 4.576 0.856 -0.611 1.00 0.00 N ATOM 0 H LYS A 66 3.986 7.367 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 66 5.401 5.415 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.469 6.102 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.881 5.431 -1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.471 3.270 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.476 4.155 -1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.391 3.054 0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.015 4.084 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.904 2.151 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.723 2.173 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.568 0.222 -1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.559 1.057 -0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.083 0.399 0.182 1.00 0.00 H new ATOM 1050 N TYR A 67 4.284 3.430 -5.125 1.00 0.00 N ATOM 1051 CA TYR A 67 3.710 2.190 -5.632 1.00 0.00 C ATOM 1052 C TYR A 67 3.737 1.096 -4.572 1.00 0.00 C ATOM 1053 O TYR A 67 4.722 0.930 -3.853 1.00 0.00 O ATOM 1054 CB TYR A 67 4.459 1.700 -6.876 1.00 0.00 C ATOM 1055 CG TYR A 67 4.248 2.544 -8.113 1.00 0.00 C ATOM 1056 CD1 TYR A 67 4.684 3.863 -8.174 1.00 0.00 C ATOM 1057 CD2 TYR A 67 3.616 2.011 -9.230 1.00 0.00 C ATOM 1058 CE1 TYR A 67 4.496 4.624 -9.311 1.00 0.00 C ATOM 1059 CE2 TYR A 67 3.422 2.767 -10.369 1.00 0.00 C ATOM 1060 CZ TYR A 67 3.863 4.072 -10.404 1.00 0.00 C ATOM 1061 OH TYR A 67 3.674 4.827 -11.539 1.00 0.00 O ATOM 0 H TYR A 67 5.086 3.772 -5.655 1.00 0.00 H new ATOM 0 HA TYR A 67 2.675 2.405 -5.899 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.525 1.667 -6.652 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.147 0.678 -7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.178 4.299 -7.318 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.271 0.988 -9.207 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.843 5.646 -9.344 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.927 2.338 -11.228 1.00 0.00 H new ATOM 0 HH TYR A 67 3.214 4.289 -12.217 1.00 0.00 H new ATOM 1071 N LEU A 68 2.651 0.339 -4.506 1.00 0.00 N ATOM 1072 CA LEU A 68 2.532 -0.765 -3.568 1.00 0.00 C ATOM 1073 C LEU A 68 2.933 -2.064 -4.247 1.00 0.00 C ATOM 1074 O LEU A 68 2.241 -2.540 -5.150 1.00 0.00 O ATOM 1075 CB LEU A 68 1.095 -0.876 -3.048 1.00 0.00 C ATOM 1076 CG LEU A 68 0.959 -1.209 -1.562 1.00 0.00 C ATOM 1077 CD1 LEU A 68 1.819 -0.278 -0.722 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -0.498 -1.119 -1.132 1.00 0.00 C ATOM 0 H LEU A 68 1.832 0.473 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 68 3.196 -0.577 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.583 0.067 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.577 -1.643 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 68 1.307 -2.230 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.708 -0.532 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.864 -0.386 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.503 0.753 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.580 -1.359 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.867 -0.108 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.092 -1.826 -1.711 1.00 0.00 H new ATOM 1090 N THR A 69 4.051 -2.628 -3.817 1.00 0.00 N ATOM 1091 CA THR A 69 4.543 -3.870 -4.388 1.00 0.00 C ATOM 1092 C THR A 69 4.239 -5.040 -3.464 1.00 0.00 C ATOM 1093 O THR A 69 4.753 -5.119 -2.352 1.00 0.00 O ATOM 1094 CB THR A 69 6.046 -3.780 -4.651 1.00 0.00 C ATOM 1095 OG1 THR A 69 6.638 -2.779 -3.843 1.00 0.00 O ATOM 1096 CG2 THR A 69 6.378 -3.466 -6.094 1.00 0.00 C ATOM 0 H THR A 69 4.635 -2.244 -3.074 1.00 0.00 H new ATOM 0 HA THR A 69 4.033 -4.036 -5.337 1.00 0.00 H new ATOM 0 HB THR A 69 6.444 -4.765 -4.408 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.498 -2.513 -4.229 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.460 -3.416 -6.216 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.976 -4.248 -6.738 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.937 -2.508 -6.369 1.00 0.00 H new ATOM 1104 N TRP A 70 3.406 -5.951 -3.945 1.00 0.00 N ATOM 1105 CA TRP A 70 3.032 -7.129 -3.185 1.00 0.00 C ATOM 1106 C TRP A 70 3.070 -8.343 -4.089 1.00 0.00 C ATOM 1107 O TRP A 70 2.653 -8.285 -5.245 1.00 0.00 O ATOM 1108 CB TRP A 70 1.640 -6.972 -2.570 1.00 0.00 C ATOM 1109 CG TRP A 70 1.507 -7.615 -1.218 1.00 0.00 C ATOM 1110 CD1 TRP A 70 2.514 -8.106 -0.436 1.00 0.00 C ATOM 1111 CD2 TRP A 70 0.293 -7.839 -0.489 1.00 0.00 C ATOM 1112 NE1 TRP A 70 2.002 -8.621 0.729 1.00 0.00 N ATOM 1113 CE2 TRP A 70 0.643 -8.468 0.720 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -1.055 -7.568 -0.740 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -0.302 -8.829 1.675 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -1.993 -7.929 0.210 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -1.612 -8.553 1.404 1.00 0.00 C ATOM 0 H TRP A 70 2.974 -5.893 -4.867 1.00 0.00 H new ATOM 0 HA TRP A 70 3.744 -7.257 -2.369 1.00 0.00 H new ATOM 0 HB2 TRP A 70 1.407 -5.911 -2.484 1.00 0.00 H new ATOM 0 HB3 TRP A 70 0.902 -7.406 -3.245 1.00 0.00 H new ATOM 0 HD1 TRP A 70 3.562 -8.091 -0.697 1.00 0.00 H new ATOM 0 HE1 TRP A 70 2.546 -9.048 1.479 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -1.358 -7.086 -1.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.010 -9.310 2.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -3.038 -7.726 0.028 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.369 -8.822 2.126 1.00 0.00 H new ATOM 1128 N ARG A 71 3.579 -9.435 -3.560 1.00 0.00 N ATOM 1129 CA ARG A 71 3.694 -10.668 -4.313 1.00 0.00 C ATOM 1130 C ARG A 71 3.740 -11.847 -3.363 1.00 0.00 C ATOM 1131 O ARG A 71 4.306 -11.754 -2.273 1.00 0.00 O ATOM 1132 CB ARG A 71 4.946 -10.653 -5.210 1.00 0.00 C ATOM 1133 CG ARG A 71 5.759 -9.363 -5.153 1.00 0.00 C ATOM 1134 CD ARG A 71 5.437 -8.435 -6.314 1.00 0.00 C ATOM 1135 NE ARG A 71 6.326 -7.276 -6.341 1.00 0.00 N ATOM 1136 CZ ARG A 71 7.504 -7.257 -6.963 1.00 0.00 C ATOM 1137 NH1 ARG A 71 7.941 -8.330 -7.612 1.00 0.00 N ATOM 1138 NH2 ARG A 71 8.251 -6.162 -6.932 1.00 0.00 N ATOM 0 H ARG A 71 3.923 -9.495 -2.602 1.00 0.00 H new ATOM 0 HA ARG A 71 2.821 -10.762 -4.958 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.590 -11.485 -4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.639 -10.827 -6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.559 -8.850 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.822 -9.604 -5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.524 -8.982 -7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.403 -8.099 -6.236 1.00 0.00 H new ATOM 0 HE ARG A 71 6.027 -6.431 -5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.374 -9.177 -7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.844 -8.307 -8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.924 -5.335 -6.432 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.153 -6.146 -7.408 1.00 0.00 H new ATOM 1152 N ASP A 72 3.157 -12.959 -3.775 1.00 0.00 N ATOM 1153 CA ASP A 72 3.156 -14.144 -2.947 1.00 0.00 C ATOM 1154 C ASP A 72 4.503 -14.822 -3.063 1.00 0.00 C ATOM 1155 O ASP A 72 5.226 -14.585 -4.032 1.00 0.00 O ATOM 1156 CB ASP A 72 2.041 -15.104 -3.370 1.00 0.00 C ATOM 1157 CG ASP A 72 0.723 -14.401 -3.631 1.00 0.00 C ATOM 1158 OD1 ASP A 72 0.630 -13.188 -3.352 1.00 0.00 O ATOM 1159 OD2 ASP A 72 -0.218 -15.066 -4.117 1.00 0.00 O ATOM 0 H ASP A 72 2.682 -13.063 -4.672 1.00 0.00 H new ATOM 0 HA ASP A 72 2.974 -13.858 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.348 -15.635 -4.271 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.899 -15.853 -2.591 1.00 0.00 H new ATOM 1164 N LYS A 73 4.843 -15.650 -2.069 1.00 0.00 N ATOM 1165 CA LYS A 73 6.128 -16.353 -2.045 1.00 0.00 C ATOM 1166 C LYS A 73 6.506 -16.905 -3.419 1.00 0.00 C ATOM 1167 O LYS A 73 7.684 -17.125 -3.703 1.00 0.00 O ATOM 1168 CB LYS A 73 6.122 -17.458 -0.979 1.00 0.00 C ATOM 1169 CG LYS A 73 5.476 -18.765 -1.415 1.00 0.00 C ATOM 1170 CD LYS A 73 6.458 -19.640 -2.185 1.00 0.00 C ATOM 1171 CE LYS A 73 6.008 -19.882 -3.617 1.00 0.00 C ATOM 1172 NZ LYS A 73 5.713 -21.319 -3.872 1.00 0.00 N ATOM 0 H LYS A 73 4.243 -15.849 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 73 6.895 -15.626 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.151 -17.660 -0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.600 -17.088 -0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.115 -19.304 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.608 -18.553 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.439 -19.165 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.569 -20.596 -1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.118 -19.287 -3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.784 -19.544 -4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.033 -21.575 -4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.211 -21.905 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.689 -21.482 -3.795 1.00 0.00 H new ATOM 1186 N GLU A 74 5.513 -17.088 -4.284 1.00 0.00 N ATOM 1187 CA GLU A 74 5.765 -17.567 -5.636 1.00 0.00 C ATOM 1188 C GLU A 74 5.949 -16.375 -6.577 1.00 0.00 C ATOM 1189 O GLU A 74 5.688 -16.471 -7.773 1.00 0.00 O ATOM 1190 CB GLU A 74 4.611 -18.448 -6.119 1.00 0.00 C ATOM 1191 CG GLU A 74 5.066 -19.758 -6.743 1.00 0.00 C ATOM 1192 CD GLU A 74 4.652 -19.889 -8.194 1.00 0.00 C ATOM 1193 OE1 GLU A 74 3.435 -19.975 -8.460 1.00 0.00 O ATOM 1194 OE2 GLU A 74 5.546 -19.905 -9.067 1.00 0.00 O ATOM 0 H GLU A 74 4.531 -16.912 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 74 6.675 -18.167 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.954 -18.665 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.022 -17.893 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.151 -19.833 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.651 -20.590 -6.174 1.00 0.00 H new ATOM 1201 N ASN A 75 6.388 -15.247 -6.009 1.00 0.00 N ATOM 1202 CA ASN A 75 6.599 -14.014 -6.763 1.00 0.00 C ATOM 1203 C ASN A 75 5.403 -13.691 -7.652 1.00 0.00 C ATOM 1204 O ASN A 75 5.556 -13.468 -8.853 1.00 0.00 O ATOM 1205 CB ASN A 75 7.883 -14.101 -7.597 1.00 0.00 C ATOM 1206 CG ASN A 75 7.827 -15.188 -8.654 1.00 0.00 C ATOM 1207 OD1 ASN A 75 8.084 -16.358 -8.372 1.00 0.00 O ATOM 1208 ND2 ASN A 75 7.497 -14.804 -9.882 1.00 0.00 N ATOM 0 H ASN A 75 6.606 -15.166 -5.016 1.00 0.00 H new ATOM 0 HA ASN A 75 6.707 -13.202 -6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.063 -13.140 -8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.728 -14.288 -6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.449 -15.490 -10.635 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.292 -13.823 -10.072 1.00 0.00 H new ATOM 1215 N ASN A 76 4.207 -13.665 -7.060 1.00 0.00 N ATOM 1216 CA ASN A 76 2.993 -13.363 -7.831 1.00 0.00 C ATOM 1217 C ASN A 76 1.866 -12.810 -6.958 1.00 0.00 C ATOM 1218 O ASN A 76 1.497 -13.419 -5.957 1.00 0.00 O ATOM 1219 CB ASN A 76 2.493 -14.618 -8.550 1.00 0.00 C ATOM 1220 CG ASN A 76 3.495 -15.167 -9.547 1.00 0.00 C ATOM 1221 OD1 ASN A 76 3.971 -14.449 -10.427 1.00 0.00 O ATOM 1222 ND2 ASN A 76 3.810 -16.449 -9.418 1.00 0.00 N ATOM 0 H ASN A 76 4.051 -13.845 -6.068 1.00 0.00 H new ATOM 0 HA ASN A 76 3.268 -12.595 -8.554 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.265 -15.387 -7.812 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.562 -14.387 -9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.472 -16.879 -10.064 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.390 -17.005 -8.673 1.00 0.00 H new ATOM 1229 N SER A 77 1.301 -11.668 -7.360 1.00 0.00 N ATOM 1230 CA SER A 77 0.193 -11.058 -6.624 1.00 0.00 C ATOM 1231 C SER A 77 -0.305 -9.784 -7.307 1.00 0.00 C ATOM 1232 O SER A 77 -1.367 -9.784 -7.930 1.00 0.00 O ATOM 1233 CB SER A 77 0.592 -10.752 -5.181 1.00 0.00 C ATOM 1234 OG SER A 77 -0.547 -10.517 -4.375 1.00 0.00 O ATOM 0 H SER A 77 1.592 -11.149 -8.189 1.00 0.00 H new ATOM 0 HA SER A 77 -0.621 -11.783 -6.618 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.163 -11.586 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.244 -9.878 -5.158 1.00 0.00 H new ATOM 0 HG SER A 77 -0.621 -11.223 -3.700 1.00 0.00 H new ATOM 1240 N GLY A 78 0.456 -8.695 -7.182 1.00 0.00 N ATOM 1241 CA GLY A 78 0.048 -7.441 -7.792 1.00 0.00 C ATOM 1242 C GLY A 78 0.809 -6.244 -7.246 1.00 0.00 C ATOM 1243 O GLY A 78 1.199 -6.226 -6.078 1.00 0.00 O ATOM 0 H GLY A 78 1.340 -8.660 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.199 -7.501 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.019 -7.293 -7.628 1.00 0.00 H new ATOM 1247 N LEU A 79 1.004 -5.235 -8.092 1.00 0.00 N ATOM 1248 CA LEU A 79 1.702 -4.017 -7.694 1.00 0.00 C ATOM 1249 C LEU A 79 1.301 -2.845 -8.590 1.00 0.00 C ATOM 1250 O LEU A 79 1.279 -2.969 -9.813 1.00 0.00 O ATOM 1251 CB LEU A 79 3.218 -4.226 -7.740 1.00 0.00 C ATOM 1252 CG LEU A 79 3.793 -4.543 -9.122 1.00 0.00 C ATOM 1253 CD1 LEU A 79 5.022 -3.689 -9.396 1.00 0.00 C ATOM 1254 CD2 LEU A 79 4.136 -6.022 -9.231 1.00 0.00 C ATOM 0 H LEU A 79 0.687 -5.238 -9.061 1.00 0.00 H new ATOM 0 HA LEU A 79 1.414 -3.781 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.704 -3.327 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.477 -5.039 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 79 3.037 -4.309 -9.871 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.418 -3.927 -10.383 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.748 -2.635 -9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.782 -3.892 -8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.544 -6.229 -10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.875 -6.281 -8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.235 -6.617 -9.078 1.00 0.00 H new ATOM 1266 N ILE A 80 0.987 -1.708 -7.972 1.00 0.00 N ATOM 1267 CA ILE A 80 0.583 -0.509 -8.717 1.00 0.00 C ATOM 1268 C ILE A 80 0.776 0.752 -7.883 1.00 0.00 C ATOM 1269 O ILE A 80 1.310 0.693 -6.790 1.00 0.00 O ATOM 1270 CB ILE A 80 -0.887 -0.568 -9.192 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -1.872 -0.455 -8.016 1.00 0.00 C ATOM 1272 CG2 ILE A 80 -1.147 -1.834 -9.990 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -1.420 -1.150 -6.748 1.00 0.00 C ATOM 0 H ILE A 80 1.003 -1.588 -6.959 1.00 0.00 H new ATOM 0 HA ILE A 80 1.228 -0.477 -9.595 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.053 0.291 -9.842 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.038 0.600 -7.798 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.832 -0.872 -8.321 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.188 -1.853 -10.313 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.495 -1.854 -10.863 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.945 -2.705 -9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.175 -1.019 -5.972 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.283 -2.213 -6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.477 -0.719 -6.413 1.00 0.00 H new ATOM 1285 N LYS A 81 0.348 1.896 -8.413 1.00 0.00 N ATOM 1286 CA LYS A 81 0.494 3.165 -7.703 1.00 0.00 C ATOM 1287 C LYS A 81 -0.768 3.533 -6.912 1.00 0.00 C ATOM 1288 O LYS A 81 -1.776 3.936 -7.492 1.00 0.00 O ATOM 1289 CB LYS A 81 0.812 4.284 -8.691 1.00 0.00 C ATOM 1290 CG LYS A 81 1.118 5.617 -8.025 1.00 0.00 C ATOM 1291 CD LYS A 81 0.687 6.786 -8.897 1.00 0.00 C ATOM 1292 CE LYS A 81 -0.794 7.087 -8.732 1.00 0.00 C ATOM 1293 NZ LYS A 81 -1.042 8.079 -7.649 1.00 0.00 N ATOM 0 H LYS A 81 -0.100 1.971 -9.326 1.00 0.00 H new ATOM 0 HA LYS A 81 1.313 3.045 -6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.666 3.987 -9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.033 4.411 -9.367 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.607 5.671 -7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.187 5.687 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.270 7.670 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.899 6.560 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.194 7.468 -9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.329 6.164 -8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.063 8.257 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.683 7.705 -6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.552 8.968 -7.874 1.00 0.00 H new ATOM 1307 N PRO A 82 -0.721 3.406 -5.573 1.00 0.00 N ATOM 1308 CA PRO A 82 -1.835 3.728 -4.692 1.00 0.00 C ATOM 1309 C PRO A 82 -1.711 5.120 -4.100 1.00 0.00 C ATOM 1310 O PRO A 82 -0.898 5.928 -4.548 1.00 0.00 O ATOM 1311 CB PRO A 82 -1.649 2.689 -3.599 1.00 0.00 C ATOM 1312 CG PRO A 82 -0.166 2.645 -3.423 1.00 0.00 C ATOM 1313 CD PRO A 82 0.431 2.936 -4.786 1.00 0.00 C ATOM 0 HA PRO A 82 -2.802 3.716 -5.195 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.156 2.977 -2.678 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.049 1.719 -3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.161 3.382 -2.690 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.154 1.669 -3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.213 3.693 -4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.881 2.046 -5.225 1.00 0.00 H new ATOM 1321 N PHE A 83 -2.504 5.389 -3.072 1.00 0.00 N ATOM 1322 CA PHE A 83 -2.456 6.676 -2.402 1.00 0.00 C ATOM 1323 C PHE A 83 -2.018 6.495 -0.955 1.00 0.00 C ATOM 1324 O PHE A 83 -2.670 5.800 -0.178 1.00 0.00 O ATOM 1325 CB PHE A 83 -3.823 7.360 -2.458 1.00 0.00 C ATOM 1326 CG PHE A 83 -3.926 8.400 -3.537 1.00 0.00 C ATOM 1327 CD1 PHE A 83 -2.942 9.364 -3.681 1.00 0.00 C ATOM 1328 CD2 PHE A 83 -5.004 8.411 -4.406 1.00 0.00 C ATOM 1329 CE1 PHE A 83 -3.033 10.322 -4.673 1.00 0.00 C ATOM 1330 CE2 PHE A 83 -5.100 9.366 -5.402 1.00 0.00 C ATOM 1331 CZ PHE A 83 -4.113 10.322 -5.535 1.00 0.00 C ATOM 0 H PHE A 83 -3.185 4.734 -2.687 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.732 7.309 -2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.593 6.605 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.028 7.826 -1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.095 9.367 -3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.779 7.665 -4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.261 11.070 -4.774 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.945 9.364 -6.074 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.185 11.069 -6.312 1.00 0.00 H new ATOM 1341 N VAL A 84 -0.907 7.130 -0.602 1.00 0.00 N ATOM 1342 CA VAL A 84 -0.374 7.049 0.739 1.00 0.00 C ATOM 1343 C VAL A 84 -0.680 8.321 1.514 1.00 0.00 C ATOM 1344 O VAL A 84 -0.174 9.396 1.195 1.00 0.00 O ATOM 1345 CB VAL A 84 1.147 6.803 0.732 1.00 0.00 C ATOM 1346 CG1 VAL A 84 1.602 6.275 2.070 1.00 0.00 C ATOM 1347 CG2 VAL A 84 1.546 5.841 -0.374 1.00 0.00 C ATOM 0 H VAL A 84 -0.359 7.710 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.856 6.202 1.227 1.00 0.00 H new ATOM 0 HB VAL A 84 1.637 7.758 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.679 6.107 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.364 7.001 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.092 5.335 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.625 5.689 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.041 4.886 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.258 6.257 -1.339 1.00 0.00 H new ATOM 1357 N ILE A 85 -1.517 8.183 2.533 1.00 0.00 N ATOM 1358 CA ILE A 85 -1.909 9.310 3.364 1.00 0.00 C ATOM 1359 C ILE A 85 -1.444 9.098 4.798 1.00 0.00 C ATOM 1360 O ILE A 85 -1.519 7.986 5.322 1.00 0.00 O ATOM 1361 CB ILE A 85 -3.441 9.522 3.366 1.00 0.00 C ATOM 1362 CG1 ILE A 85 -4.080 8.906 2.117 1.00 0.00 C ATOM 1363 CG2 ILE A 85 -3.769 11.005 3.456 1.00 0.00 C ATOM 1364 CD1 ILE A 85 -3.623 9.547 0.827 1.00 0.00 C ATOM 0 H ILE A 85 -1.939 7.295 2.804 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.436 10.196 2.940 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.854 9.019 4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.847 7.842 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.164 8.993 2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.851 11.139 3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.352 11.415 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.339 11.525 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.116 9.061 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.880 10.606 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.543 9.437 0.729 1.00 0.00 H new ATOM 1376 N PRO A 86 -0.957 10.155 5.464 1.00 0.00 N ATOM 1377 CA PRO A 86 -0.487 10.060 6.842 1.00 0.00 C ATOM 1378 C PRO A 86 -1.627 10.123 7.855 1.00 0.00 C ATOM 1379 O PRO A 86 -1.477 10.705 8.930 1.00 0.00 O ATOM 1380 CB PRO A 86 0.416 11.282 6.978 1.00 0.00 C ATOM 1381 CG PRO A 86 -0.179 12.294 6.056 1.00 0.00 C ATOM 1382 CD PRO A 86 -0.826 11.525 4.930 1.00 0.00 C ATOM 0 HA PRO A 86 0.012 9.112 7.042 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.438 11.646 8.005 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.444 11.048 6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.913 12.909 6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.588 12.968 5.674 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.796 11.945 4.665 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.213 11.545 4.029 1.00 0.00 H new ATOM 1390 N ASN A 87 -2.767 9.527 7.511 1.00 0.00 N ATOM 1391 CA ASN A 87 -3.921 9.530 8.402 1.00 0.00 C ATOM 1392 C ASN A 87 -4.498 8.127 8.601 1.00 0.00 C ATOM 1393 O ASN A 87 -5.432 7.944 9.380 1.00 0.00 O ATOM 1394 CB ASN A 87 -5.002 10.469 7.863 1.00 0.00 C ATOM 1395 CG ASN A 87 -5.536 11.407 8.928 1.00 0.00 C ATOM 1396 OD1 ASN A 87 -5.053 12.528 9.083 1.00 0.00 O ATOM 1397 ND2 ASN A 87 -6.539 10.951 9.670 1.00 0.00 N ATOM 0 H ASN A 87 -2.914 9.039 6.627 1.00 0.00 H new ATOM 0 HA ASN A 87 -3.580 9.886 9.374 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.593 11.054 7.039 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.824 9.878 7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.939 11.537 10.403 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.909 10.015 9.507 1.00 0.00 H new ATOM 1404 N LEU A 88 -3.940 7.137 7.901 1.00 0.00 N ATOM 1405 CA LEU A 88 -4.404 5.755 8.017 1.00 0.00 C ATOM 1406 C LEU A 88 -5.696 5.527 7.239 1.00 0.00 C ATOM 1407 O LEU A 88 -6.783 5.531 7.815 1.00 0.00 O ATOM 1408 CB LEU A 88 -4.615 5.375 9.488 1.00 0.00 C ATOM 1409 CG LEU A 88 -4.578 3.875 9.781 1.00 0.00 C ATOM 1410 CD1 LEU A 88 -3.143 3.370 9.815 1.00 0.00 C ATOM 1411 CD2 LEU A 88 -5.284 3.575 11.096 1.00 0.00 C ATOM 0 H LEU A 88 -3.167 7.268 7.249 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.629 5.119 7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.848 5.866 10.088 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.577 5.770 9.815 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.103 3.354 8.980 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.139 2.300 10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.670 3.552 8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.591 3.895 10.595 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.250 2.503 11.291 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.786 4.108 11.906 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.323 3.899 11.033 1.00 0.00 H new ATOM 1423 N PRO A 89 -5.600 5.308 5.913 1.00 0.00 N ATOM 1424 CA PRO A 89 -6.768 5.065 5.064 1.00 0.00 C ATOM 1425 C PRO A 89 -7.373 3.673 5.273 1.00 0.00 C ATOM 1426 O PRO A 89 -8.124 3.192 4.427 1.00 0.00 O ATOM 1427 CB PRO A 89 -6.228 5.187 3.630 1.00 0.00 C ATOM 1428 CG PRO A 89 -4.814 5.654 3.755 1.00 0.00 C ATOM 1429 CD PRO A 89 -4.356 5.282 5.136 1.00 0.00 C ATOM 0 HA PRO A 89 -7.568 5.769 5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.277 4.229 3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.821 5.893 3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.184 5.186 2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.747 6.731 3.602 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.889 4.297 5.155 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.623 5.990 5.523 1.00 0.00 H new ATOM 1437 N VAL A 90 -7.037 3.033 6.401 1.00 0.00 N ATOM 1438 CA VAL A 90 -7.541 1.699 6.728 1.00 0.00 C ATOM 1439 C VAL A 90 -6.718 0.606 6.048 1.00 0.00 C ATOM 1440 O VAL A 90 -6.960 -0.582 6.259 1.00 0.00 O ATOM 1441 CB VAL A 90 -9.020 1.540 6.339 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -9.552 0.184 6.778 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -9.849 2.670 6.933 1.00 0.00 C ATOM 0 H VAL A 90 -6.412 3.425 7.106 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.449 1.590 7.809 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.099 1.593 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.600 0.094 6.492 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.976 -0.606 6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.462 0.091 7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.894 2.543 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.764 2.651 8.020 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.484 3.626 6.557 1.00 0.00 H new ATOM 1453 N ASN A 91 -5.743 1.010 5.239 1.00 0.00 N ATOM 1454 CA ASN A 91 -4.886 0.059 4.541 1.00 0.00 C ATOM 1455 C ASN A 91 -5.704 -0.873 3.656 1.00 0.00 C ATOM 1456 O ASN A 91 -5.939 -2.029 4.007 1.00 0.00 O ATOM 1457 CB ASN A 91 -4.071 -0.762 5.545 1.00 0.00 C ATOM 1458 CG ASN A 91 -3.478 0.086 6.653 1.00 0.00 C ATOM 1459 OD1 ASN A 91 -3.675 1.301 6.696 1.00 0.00 O ATOM 1460 ND2 ASN A 91 -2.747 -0.551 7.560 1.00 0.00 N ATOM 0 H ASN A 91 -5.527 1.989 5.051 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.206 0.627 3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.709 -1.529 5.983 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.268 -1.278 5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.324 -0.032 8.330 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.609 -1.559 7.487 1.00 0.00 H new ATOM 1467 N LEU A 92 -6.129 -0.368 2.505 1.00 0.00 N ATOM 1468 CA LEU A 92 -6.913 -1.164 1.567 1.00 0.00 C ATOM 1469 C LEU A 92 -6.145 -1.378 0.274 1.00 0.00 C ATOM 1470 O LEU A 92 -5.573 -0.444 -0.282 1.00 0.00 O ATOM 1471 CB LEU A 92 -8.249 -0.484 1.261 1.00 0.00 C ATOM 1472 CG LEU A 92 -8.166 1.015 0.970 1.00 0.00 C ATOM 1473 CD1 LEU A 92 -8.894 1.345 -0.325 1.00 0.00 C ATOM 1474 CD2 LEU A 92 -8.744 1.816 2.129 1.00 0.00 C ATOM 0 H LEU A 92 -5.945 0.587 2.198 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.106 -2.131 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.702 -0.980 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.918 -0.637 2.108 1.00 0.00 H new ATOM 0 HG LEU A 92 -7.117 1.288 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.826 2.416 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.437 0.798 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.942 1.058 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.677 2.881 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.789 1.541 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.181 1.600 3.037 1.00 0.00 H new ATOM 1486 N TRP A 93 -6.145 -2.610 -0.207 1.00 0.00 N ATOM 1487 CA TRP A 93 -5.458 -2.937 -1.444 1.00 0.00 C ATOM 1488 C TRP A 93 -6.373 -2.678 -2.632 1.00 0.00 C ATOM 1489 O TRP A 93 -7.555 -2.383 -2.463 1.00 0.00 O ATOM 1490 CB TRP A 93 -4.996 -4.394 -1.426 1.00 0.00 C ATOM 1491 CG TRP A 93 -3.538 -4.552 -1.708 1.00 0.00 C ATOM 1492 CD1 TRP A 93 -2.978 -5.050 -2.846 1.00 0.00 C ATOM 1493 CD2 TRP A 93 -2.452 -4.211 -0.841 1.00 0.00 C ATOM 1494 NE1 TRP A 93 -1.610 -5.028 -2.748 1.00 0.00 N ATOM 1495 CE2 TRP A 93 -1.262 -4.520 -1.524 1.00 0.00 C ATOM 1496 CE3 TRP A 93 -2.371 -3.671 0.445 1.00 0.00 C ATOM 1497 CZ2 TRP A 93 -0.008 -4.306 -0.965 1.00 0.00 C ATOM 1498 CZ3 TRP A 93 -1.124 -3.462 1.000 1.00 0.00 C ATOM 1499 CH2 TRP A 93 0.043 -3.778 0.296 1.00 0.00 C ATOM 0 H TRP A 93 -6.612 -3.399 0.240 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.578 -2.301 -1.538 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -5.220 -4.828 -0.451 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -5.566 -4.958 -2.164 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -3.531 -5.410 -3.701 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -0.958 -5.339 -3.468 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.267 -3.422 0.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.894 -4.548 -1.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.048 -3.048 1.994 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.003 -3.602 0.757 1.00 0.00 H new ATOM 1510 N GLY A 94 -5.818 -2.772 -3.828 1.00 0.00 N ATOM 1511 CA GLY A 94 -6.596 -2.526 -5.022 1.00 0.00 C ATOM 1512 C GLY A 94 -7.208 -3.792 -5.593 1.00 0.00 C ATOM 1513 O GLY A 94 -6.561 -4.836 -5.642 1.00 0.00 O ATOM 0 H GLY A 94 -4.841 -3.015 -3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.390 -1.815 -4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.960 -2.063 -5.776 1.00 0.00 H new ATOM 1517 N ARG A 95 -8.469 -3.697 -6.013 1.00 0.00 N ATOM 1518 CA ARG A 95 -9.194 -4.842 -6.563 1.00 0.00 C ATOM 1519 C ARG A 95 -8.388 -5.575 -7.632 1.00 0.00 C ATOM 1520 O ARG A 95 -8.481 -6.796 -7.757 1.00 0.00 O ATOM 1521 CB ARG A 95 -10.528 -4.383 -7.153 1.00 0.00 C ATOM 1522 CG ARG A 95 -11.423 -5.528 -7.601 1.00 0.00 C ATOM 1523 CD ARG A 95 -12.632 -5.686 -6.693 1.00 0.00 C ATOM 1524 NE ARG A 95 -13.560 -4.563 -6.818 1.00 0.00 N ATOM 1525 CZ ARG A 95 -14.885 -4.675 -6.731 1.00 0.00 C ATOM 1526 NH1 ARG A 95 -15.450 -5.855 -6.498 1.00 0.00 N ATOM 1527 NH2 ARG A 95 -15.650 -3.600 -6.871 1.00 0.00 N ATOM 0 H ARG A 95 -9.012 -2.834 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.369 -5.538 -5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.059 -3.788 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.334 -3.731 -8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.757 -5.350 -8.623 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.850 -6.455 -7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -13.150 -6.614 -6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.300 -5.769 -5.658 1.00 0.00 H new ATOM 0 HE ARG A 95 -13.169 -3.636 -6.982 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -14.869 -6.685 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -16.465 -5.930 -6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -15.224 -2.690 -7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -16.664 -3.684 -6.805 1.00 0.00 H new ATOM 1541 N ASP A 96 -7.607 -4.834 -8.404 1.00 0.00 N ATOM 1542 CA ASP A 96 -6.798 -5.434 -9.459 1.00 0.00 C ATOM 1543 C ASP A 96 -5.846 -6.484 -8.890 1.00 0.00 C ATOM 1544 O ASP A 96 -5.762 -7.605 -9.395 1.00 0.00 O ATOM 1545 CB ASP A 96 -6.002 -4.354 -10.196 1.00 0.00 C ATOM 1546 CG ASP A 96 -6.691 -3.893 -11.465 1.00 0.00 C ATOM 1547 OD1 ASP A 96 -7.902 -3.594 -11.409 1.00 0.00 O ATOM 1548 OD2 ASP A 96 -6.019 -3.831 -12.515 1.00 0.00 O ATOM 0 H ASP A 96 -7.515 -3.821 -8.322 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.471 -5.925 -10.162 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.855 -3.500 -9.535 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.013 -4.740 -10.443 1.00 0.00 H new ATOM 1553 N LEU A 97 -5.130 -6.109 -7.836 1.00 0.00 N ATOM 1554 CA LEU A 97 -4.176 -7.006 -7.198 1.00 0.00 C ATOM 1555 C LEU A 97 -4.881 -8.031 -6.316 1.00 0.00 C ATOM 1556 O LEU A 97 -4.318 -9.080 -6.022 1.00 0.00 O ATOM 1557 CB LEU A 97 -3.150 -6.222 -6.374 1.00 0.00 C ATOM 1558 CG LEU A 97 -2.951 -4.761 -6.785 1.00 0.00 C ATOM 1559 CD1 LEU A 97 -3.082 -3.862 -5.580 1.00 0.00 C ATOM 1560 CD2 LEU A 97 -1.605 -4.563 -7.446 1.00 0.00 C ATOM 0 H LEU A 97 -5.193 -5.187 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.652 -7.539 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.454 -6.248 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.190 -6.734 -6.440 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.724 -4.499 -7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.939 -2.825 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.074 -3.979 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.328 -4.132 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.489 -3.517 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.813 -4.841 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.541 -5.188 -8.337 1.00 0.00 H new ATOM 1572 N LEU A 98 -6.117 -7.741 -5.909 1.00 0.00 N ATOM 1573 CA LEU A 98 -6.869 -8.683 -5.087 1.00 0.00 C ATOM 1574 C LEU A 98 -7.367 -9.816 -5.966 1.00 0.00 C ATOM 1575 O LEU A 98 -7.237 -10.995 -5.623 1.00 0.00 O ATOM 1576 CB LEU A 98 -8.057 -8.006 -4.387 1.00 0.00 C ATOM 1577 CG LEU A 98 -7.748 -7.308 -3.055 1.00 0.00 C ATOM 1578 CD1 LEU A 98 -6.607 -7.992 -2.312 1.00 0.00 C ATOM 1579 CD2 LEU A 98 -7.430 -5.845 -3.293 1.00 0.00 C ATOM 0 H LEU A 98 -6.610 -6.876 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.207 -9.067 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.483 -7.270 -5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.825 -8.759 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.635 -7.380 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.418 -7.469 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.878 -9.027 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.707 -7.970 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.213 -5.360 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.563 -5.763 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.286 -5.358 -3.761 1.00 0.00 H new ATOM 1591 N SER A 99 -7.917 -9.446 -7.120 1.00 0.00 N ATOM 1592 CA SER A 99 -8.414 -10.423 -8.073 1.00 0.00 C ATOM 1593 C SER A 99 -7.287 -11.368 -8.459 1.00 0.00 C ATOM 1594 O SER A 99 -7.455 -12.585 -8.472 1.00 0.00 O ATOM 1595 CB SER A 99 -8.967 -9.726 -9.319 1.00 0.00 C ATOM 1596 OG SER A 99 -10.033 -10.469 -9.888 1.00 0.00 O ATOM 0 H SER A 99 -8.028 -8.475 -7.414 1.00 0.00 H new ATOM 0 HA SER A 99 -9.223 -10.990 -7.612 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.315 -8.727 -9.056 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.172 -9.603 -10.054 1.00 0.00 H new ATOM 0 HG SER A 99 -10.370 -10.002 -10.681 1.00 0.00 H new ATOM 1602 N GLN A 100 -6.123 -10.794 -8.746 1.00 0.00 N ATOM 1603 CA GLN A 100 -4.958 -11.584 -9.105 1.00 0.00 C ATOM 1604 C GLN A 100 -4.483 -12.382 -7.898 1.00 0.00 C ATOM 1605 O GLN A 100 -4.173 -13.569 -8.009 1.00 0.00 O ATOM 1606 CB GLN A 100 -3.834 -10.680 -9.602 1.00 0.00 C ATOM 1607 CG GLN A 100 -4.184 -9.913 -10.867 1.00 0.00 C ATOM 1608 CD GLN A 100 -3.057 -9.013 -11.334 1.00 0.00 C ATOM 1609 OE1 GLN A 100 -1.949 -9.474 -11.604 1.00 0.00 O ATOM 1610 NE2 GLN A 100 -3.338 -7.718 -11.434 1.00 0.00 N ATOM 0 H GLN A 100 -5.965 -9.786 -8.736 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.234 -12.270 -9.905 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.576 -9.970 -8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.947 -11.286 -9.788 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.432 -10.620 -11.659 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.074 -9.311 -10.688 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.271 -7.379 -11.200 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.621 -7.063 -11.745 1.00 0.00 H new ATOM 1619 N MET A 101 -4.436 -11.716 -6.740 1.00 0.00 N ATOM 1620 CA MET A 101 -4.010 -12.346 -5.493 1.00 0.00 C ATOM 1621 C MET A 101 -4.506 -13.785 -5.398 1.00 0.00 C ATOM 1622 O MET A 101 -3.710 -14.724 -5.387 1.00 0.00 O ATOM 1623 CB MET A 101 -4.526 -11.540 -4.295 1.00 0.00 C ATOM 1624 CG MET A 101 -3.428 -11.073 -3.356 1.00 0.00 C ATOM 1625 SD MET A 101 -3.976 -9.774 -2.234 1.00 0.00 S ATOM 1626 CE MET A 101 -3.199 -8.340 -2.975 1.00 0.00 C ATOM 0 H MET A 101 -4.691 -10.733 -6.644 1.00 0.00 H new ATOM 0 HA MET A 101 -2.920 -12.361 -5.481 1.00 0.00 H new ATOM 0 HB2 MET A 101 -5.073 -10.671 -4.661 1.00 0.00 H new ATOM 0 HB3 MET A 101 -5.235 -12.150 -3.736 1.00 0.00 H new ATOM 0 HG2 MET A 101 -3.068 -11.922 -2.774 1.00 0.00 H new ATOM 0 HG3 MET A 101 -2.585 -10.708 -3.943 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.294 -7.487 -2.303 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.144 -8.548 -3.151 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.686 -8.111 -3.923 1.00 0.00 H new ATOM 1636 N LYS A 102 -5.825 -13.955 -5.328 1.00 0.00 N ATOM 1637 CA LYS A 102 -6.409 -15.289 -5.231 1.00 0.00 C ATOM 1638 C LYS A 102 -7.891 -15.287 -5.610 1.00 0.00 C ATOM 1639 O LYS A 102 -8.728 -15.795 -4.863 1.00 0.00 O ATOM 1640 CB LYS A 102 -6.245 -15.831 -3.809 1.00 0.00 C ATOM 1641 CG LYS A 102 -4.888 -16.467 -3.546 1.00 0.00 C ATOM 1642 CD LYS A 102 -4.041 -15.608 -2.619 1.00 0.00 C ATOM 1643 CE LYS A 102 -2.958 -16.427 -1.931 1.00 0.00 C ATOM 1644 NZ LYS A 102 -1.642 -15.729 -1.936 1.00 0.00 N ATOM 0 H LYS A 102 -6.503 -13.193 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.880 -15.932 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.398 -15.017 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.024 -16.569 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.027 -17.454 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.363 -16.612 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.581 -14.801 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.680 -15.144 -1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.256 -16.631 -0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.859 -17.390 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.880 -16.423 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.508 -15.247 -2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.617 -15.029 -1.167 1.00 0.00 H new ATOM 1658 N ILE A 103 -8.220 -14.728 -6.773 1.00 0.00 N ATOM 1659 CA ILE A 103 -9.613 -14.689 -7.216 1.00 0.00 C ATOM 1660 C ILE A 103 -9.759 -15.127 -8.673 1.00 0.00 C ATOM 1661 O ILE A 103 -10.249 -16.221 -8.954 1.00 0.00 O ATOM 1662 CB ILE A 103 -10.231 -13.288 -7.045 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -9.855 -12.700 -5.684 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -11.744 -13.356 -7.200 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -10.440 -11.325 -5.433 1.00 0.00 C ATOM 0 H ILE A 103 -7.553 -14.302 -7.417 1.00 0.00 H new ATOM 0 HA ILE A 103 -10.151 -15.392 -6.580 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.833 -12.635 -7.822 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -10.192 -13.378 -4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.769 -12.642 -5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.168 -12.359 -7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.991 -13.735 -8.191 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -12.158 -14.022 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -10.131 -10.972 -4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -10.083 -10.633 -6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -11.528 -11.379 -5.474 1.00 0.00 H new ATOM 1677 N MET A 104 -9.338 -14.267 -9.595 1.00 0.00 N ATOM 1678 CA MET A 104 -9.432 -14.568 -11.019 1.00 0.00 C ATOM 1679 C MET A 104 -8.074 -14.970 -11.585 1.00 0.00 C ATOM 1680 O MET A 104 -7.040 -14.433 -11.186 1.00 0.00 O ATOM 1681 CB MET A 104 -9.978 -13.357 -11.779 1.00 0.00 C ATOM 1682 CG MET A 104 -10.111 -13.584 -13.277 1.00 0.00 C ATOM 1683 SD MET A 104 -9.331 -12.283 -14.254 1.00 0.00 S ATOM 1684 CE MET A 104 -7.714 -12.203 -13.487 1.00 0.00 C ATOM 0 H MET A 104 -8.929 -13.357 -9.382 1.00 0.00 H new ATOM 0 HA MET A 104 -10.116 -15.408 -11.143 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.955 -13.094 -11.372 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.321 -12.505 -11.607 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.664 -14.544 -13.535 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.168 -13.644 -13.538 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.019 -11.695 -14.156 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.783 -11.652 -12.549 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.355 -13.213 -13.289 1.00 0.00 H new ATOM 1694 N MET A 105 -8.084 -15.916 -12.519 1.00 0.00 N ATOM 1695 CA MET A 105 -6.856 -16.390 -13.145 1.00 0.00 C ATOM 1696 C MET A 105 -6.267 -15.323 -14.061 1.00 0.00 C ATOM 1697 O MET A 105 -6.738 -15.125 -15.183 1.00 0.00 O ATOM 1698 CB MET A 105 -7.126 -17.670 -13.939 1.00 0.00 C ATOM 1699 CG MET A 105 -5.883 -18.508 -14.185 1.00 0.00 C ATOM 1700 SD MET A 105 -5.282 -19.316 -12.688 1.00 0.00 S ATOM 1701 CE MET A 105 -3.531 -19.422 -13.043 1.00 0.00 C ATOM 0 H MET A 105 -8.932 -16.370 -12.859 1.00 0.00 H new ATOM 0 HA MET A 105 -6.134 -16.605 -12.357 1.00 0.00 H new ATOM 0 HB2 MET A 105 -7.859 -18.272 -13.403 1.00 0.00 H new ATOM 0 HB3 MET A 105 -7.571 -17.405 -14.898 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.103 -19.265 -14.938 1.00 0.00 H new ATOM 0 HG3 MET A 105 -5.096 -17.873 -14.591 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.019 -19.900 -12.208 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.378 -20.010 -13.948 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.128 -18.420 -13.190 1.00 0.00 H new ATOM 1711 N ALA A 106 -5.237 -14.636 -13.579 1.00 0.00 N ATOM 1712 CA ALA A 106 -4.585 -13.589 -14.354 1.00 0.00 C ATOM 1713 C ALA A 106 -3.722 -14.182 -15.463 1.00 0.00 C ATOM 1714 O ALA A 106 -2.693 -14.804 -15.196 1.00 0.00 O ATOM 1715 CB ALA A 106 -3.744 -12.704 -13.447 1.00 0.00 C ATOM 0 H ALA A 106 -4.836 -14.786 -12.653 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.361 -12.981 -14.818 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.263 -11.927 -14.041 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.383 -12.242 -12.694 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.982 -13.308 -12.955 1.00 0.00 H new ATOM 1721 N SER A 107 -4.147 -13.986 -16.707 1.00 0.00 N ATOM 1722 CA SER A 107 -3.414 -14.499 -17.857 1.00 0.00 C ATOM 1723 C SER A 107 -3.318 -16.021 -17.806 1.00 0.00 C ATOM 1724 O SER A 107 -4.087 -16.687 -18.532 1.00 0.00 O ATOM 1725 CB SER A 107 -2.012 -13.890 -17.909 1.00 0.00 C ATOM 1726 OG SER A 107 -2.061 -12.484 -17.738 1.00 0.00 O ATOM 1727 OXT SER A 107 -2.475 -16.535 -17.040 1.00 0.00 O ATOM 0 H SER A 107 -4.997 -13.474 -16.944 1.00 0.00 H new ATOM 0 HA SER A 107 -3.958 -14.217 -18.758 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.390 -14.333 -17.131 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.544 -14.127 -18.864 1.00 0.00 H new ATOM 0 HG SER A 107 -1.152 -12.118 -17.773 1.00 0.00 H new TER 1733 SER A 107