USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 947 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 42 LYS NZ :NH3+ -166:sc= 1.18 (180deg=0) USER MOD Set 1.2: A 130 TYR OH : rot 60:sc= 1.06 USER MOD Set 2.1: A 119 GLN : amide:sc= -3.97! K(o=-9.4!,f=-1.5) USER MOD Set 2.2: A 123 GLN : amide:sc= -5.47! K(o=-9.4!,f=-2.3) USER MOD Set 3.1: A 96 THR OG1 : rot -145:sc= 1.44 USER MOD Set 3.2: A 101 THR OG1 : rot -40:sc= 0.925 USER MOD Set 4.1: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 69 SER OG : rot 156:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0232 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0.725 K(o=0.72,f=-0.7) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.0752 K(o=-0.075,f=-3.8!) USER MOD Single : A 48 ASN : amide:sc= 0.755 K(o=0.75,f=-0.0076) USER MOD Single : A 49 GLN : amide:sc= -2.24 X(o=-2.2,f=-2.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 120:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0.431 X(o=0.43,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0.748 K(o=0.75,f=-0.031) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= 1.19 (180deg=0.94) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.18) USER MOD Single : A 100 ASN : amide:sc= 0.354 X(o=0.35,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0233) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.00691 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0.337 K(o=0.34,f=-0.73) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -12.905 -19.527 -5.989 1.00 0.00 N ATOM 2 CA GLY A 19 -13.748 -18.755 -5.067 1.00 0.00 C ATOM 3 C GLY A 19 -13.084 -18.597 -3.706 1.00 0.00 C ATOM 4 O GLY A 19 -11.867 -18.724 -3.597 1.00 0.00 O ATOM 0 HA2 GLY A 19 -13.948 -17.771 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.710 -19.253 -4.948 1.00 0.00 H new ATOM 8 N HIS A 20 -13.890 -18.304 -2.684 1.00 0.00 N ATOM 9 CA HIS A 20 -13.560 -18.197 -1.266 1.00 0.00 C ATOM 10 C HIS A 20 -12.269 -17.424 -0.928 1.00 0.00 C ATOM 11 O HIS A 20 -11.174 -17.981 -0.912 1.00 0.00 O ATOM 12 CB HIS A 20 -13.634 -19.578 -0.606 1.00 0.00 C ATOM 13 CG HIS A 20 -13.667 -19.461 0.894 1.00 0.00 C ATOM 14 ND1 HIS A 20 -12.571 -19.454 1.725 1.00 0.00 N ATOM 15 CD2 HIS A 20 -14.777 -19.224 1.659 1.00 0.00 C ATOM 16 CE1 HIS A 20 -13.007 -19.210 2.967 1.00 0.00 C ATOM 17 NE2 HIS A 20 -14.344 -19.050 2.977 1.00 0.00 N ATOM 0 H HIS A 20 -14.880 -18.119 -2.845 1.00 0.00 H new ATOM 0 HA HIS A 20 -14.324 -17.554 -0.829 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -14.524 -20.103 -0.953 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -12.774 -20.175 -0.908 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -15.798 -19.180 1.309 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.374 -19.150 3.840 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -14.927 -18.842 3.788 1.00 0.00 H new ATOM 25 N MET A 21 -12.401 -16.132 -0.604 1.00 0.00 N ATOM 26 CA MET A 21 -11.304 -15.310 -0.082 1.00 0.00 C ATOM 27 C MET A 21 -11.834 -14.148 0.772 1.00 0.00 C ATOM 28 O MET A 21 -13.054 -13.957 0.877 1.00 0.00 O ATOM 29 CB MET A 21 -10.436 -14.799 -1.245 1.00 0.00 C ATOM 30 CG MET A 21 -11.199 -13.909 -2.225 1.00 0.00 C ATOM 31 SD MET A 21 -10.117 -13.200 -3.479 1.00 0.00 S ATOM 32 CE MET A 21 -11.308 -12.122 -4.297 1.00 0.00 C ATOM 0 H MET A 21 -13.280 -15.624 -0.698 1.00 0.00 H new ATOM 0 HA MET A 21 -10.685 -15.928 0.569 1.00 0.00 H new ATOM 0 HB2 MET A 21 -9.591 -14.241 -0.841 1.00 0.00 H new ATOM 0 HB3 MET A 21 -10.025 -15.652 -1.785 1.00 0.00 H new ATOM 0 HG2 MET A 21 -11.982 -14.492 -2.710 1.00 0.00 H new ATOM 0 HG3 MET A 21 -11.693 -13.107 -1.677 1.00 0.00 H new ATOM 0 HE1 MET A 21 -10.818 -11.591 -5.113 1.00 0.00 H new ATOM 0 HE2 MET A 21 -12.128 -12.721 -4.694 1.00 0.00 H new ATOM 0 HE3 MET A 21 -11.700 -11.401 -3.579 1.00 0.00 H new ATOM 42 N LYS A 22 -10.927 -13.347 1.350 1.00 0.00 N ATOM 43 CA LYS A 22 -11.203 -12.119 2.093 1.00 0.00 C ATOM 44 C LYS A 22 -10.207 -11.078 1.588 1.00 0.00 C ATOM 45 O LYS A 22 -9.078 -11.010 2.066 1.00 0.00 O ATOM 46 CB LYS A 22 -11.127 -12.367 3.617 1.00 0.00 C ATOM 47 CG LYS A 22 -12.388 -11.969 4.398 1.00 0.00 C ATOM 48 CD LYS A 22 -13.647 -12.734 3.977 1.00 0.00 C ATOM 49 CE LYS A 22 -14.750 -12.498 5.011 1.00 0.00 C ATOM 50 NZ LYS A 22 -15.960 -13.290 4.707 1.00 0.00 N ATOM 0 H LYS A 22 -9.929 -13.554 1.307 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.217 -11.756 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.929 -13.425 3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.278 -11.814 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.212 -12.135 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.563 -10.901 4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.977 -12.401 2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.430 -13.799 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.382 -12.761 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.005 -11.439 5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.686 -13.105 5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.325 -13.021 3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.722 -14.302 4.707 1.00 0.00 H new ATOM 64 N PHE A 23 -10.641 -10.296 0.597 1.00 0.00 N ATOM 65 CA PHE A 23 -9.807 -9.404 -0.212 1.00 0.00 C ATOM 66 C PHE A 23 -8.603 -10.158 -0.818 1.00 0.00 C ATOM 67 O PHE A 23 -8.574 -11.388 -0.854 1.00 0.00 O ATOM 68 CB PHE A 23 -9.404 -8.155 0.593 1.00 0.00 C ATOM 69 CG PHE A 23 -10.502 -7.195 1.001 1.00 0.00 C ATOM 70 CD1 PHE A 23 -11.847 -7.392 0.633 1.00 0.00 C ATOM 71 CD2 PHE A 23 -10.153 -6.057 1.750 1.00 0.00 C ATOM 72 CE1 PHE A 23 -12.830 -6.501 1.072 1.00 0.00 C ATOM 73 CE2 PHE A 23 -11.144 -5.165 2.196 1.00 0.00 C ATOM 74 CZ PHE A 23 -12.493 -5.397 1.875 1.00 0.00 C ATOM 0 H PHE A 23 -11.624 -10.266 0.325 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.393 -9.049 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.897 -8.489 1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.674 -7.599 0.005 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.119 -8.232 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.116 -5.867 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.860 -6.662 0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.869 -4.302 2.785 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.263 -4.734 2.241 1.00 0.00 H new ATOM 84 N THR A 24 -7.655 -9.409 -1.377 1.00 0.00 N ATOM 85 CA THR A 24 -6.397 -9.816 -1.984 1.00 0.00 C ATOM 86 C THR A 24 -5.320 -8.822 -1.549 1.00 0.00 C ATOM 87 O THR A 24 -5.646 -7.652 -1.336 1.00 0.00 O ATOM 88 CB THR A 24 -6.576 -9.816 -3.517 1.00 0.00 C ATOM 89 OG1 THR A 24 -7.598 -8.947 -3.975 1.00 0.00 O ATOM 90 CG2 THR A 24 -7.041 -11.201 -3.917 1.00 0.00 C ATOM 0 H THR A 24 -7.765 -8.396 -1.418 1.00 0.00 H new ATOM 0 HA THR A 24 -6.100 -10.817 -1.670 1.00 0.00 H new ATOM 0 HB THR A 24 -5.623 -9.501 -3.941 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.655 -8.996 -4.952 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.179 -11.240 -4.997 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.293 -11.936 -3.620 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.986 -11.425 -3.422 1.00 0.00 H new ATOM 98 N ASP A 25 -4.057 -9.255 -1.454 1.00 0.00 N ATOM 99 CA ASP A 25 -2.929 -8.412 -1.032 1.00 0.00 C ATOM 100 C ASP A 25 -2.904 -7.116 -1.847 1.00 0.00 C ATOM 101 O ASP A 25 -2.721 -6.040 -1.287 1.00 0.00 O ATOM 102 CB ASP A 25 -1.569 -9.134 -1.167 1.00 0.00 C ATOM 103 CG ASP A 25 -1.144 -9.966 0.052 1.00 0.00 C ATOM 104 OD1 ASP A 25 -1.339 -9.530 1.210 1.00 0.00 O ATOM 105 OD2 ASP A 25 -0.590 -11.070 -0.156 1.00 0.00 O ATOM 0 H ASP A 25 -3.785 -10.214 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.079 -8.186 0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.609 -9.789 -2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.799 -8.389 -1.364 1.00 0.00 H new ATOM 110 N GLN A 26 -3.166 -7.199 -3.154 1.00 0.00 N ATOM 111 CA GLN A 26 -3.290 -6.062 -4.070 1.00 0.00 C ATOM 112 C GLN A 26 -4.296 -5.019 -3.577 1.00 0.00 C ATOM 113 O GLN A 26 -3.958 -3.853 -3.377 1.00 0.00 O ATOM 114 CB GLN A 26 -3.760 -6.593 -5.429 1.00 0.00 C ATOM 115 CG GLN A 26 -2.664 -7.381 -6.138 1.00 0.00 C ATOM 116 CD GLN A 26 -3.229 -8.310 -7.206 1.00 0.00 C ATOM 117 OE1 GLN A 26 -2.901 -9.498 -7.190 1.00 0.00 O ATOM 118 NE2 GLN A 26 -4.105 -7.842 -8.082 1.00 0.00 N ATOM 0 H GLN A 26 -3.303 -8.095 -3.621 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.318 -5.574 -4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.633 -7.230 -5.288 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.072 -5.759 -6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.958 -6.688 -6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.107 -7.966 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.358 -6.854 -8.072 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.527 -8.470 -8.767 1.00 0.00 H new ATOM 127 N GLN A 27 -5.542 -5.459 -3.404 1.00 0.00 N ATOM 128 CA GLN A 27 -6.687 -4.639 -3.034 1.00 0.00 C ATOM 129 C GLN A 27 -6.506 -4.020 -1.642 1.00 0.00 C ATOM 130 O GLN A 27 -7.095 -2.986 -1.325 1.00 0.00 O ATOM 131 CB GLN A 27 -7.924 -5.550 -3.067 1.00 0.00 C ATOM 132 CG GLN A 27 -8.316 -6.011 -4.486 1.00 0.00 C ATOM 133 CD GLN A 27 -8.988 -4.940 -5.341 1.00 0.00 C ATOM 134 OE1 GLN A 27 -9.671 -4.057 -4.827 1.00 0.00 O ATOM 135 NE2 GLN A 27 -8.821 -5.001 -6.651 1.00 0.00 N ATOM 0 H GLN A 27 -5.788 -6.442 -3.524 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.797 -3.808 -3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.735 -6.427 -2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.766 -5.021 -2.621 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.420 -6.359 -5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.988 -6.865 -4.403 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.250 -5.742 -7.058 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.263 -4.307 -7.254 1.00 0.00 H new ATOM 144 N ILE A 28 -5.716 -4.672 -0.795 1.00 0.00 N ATOM 145 CA ILE A 28 -5.330 -4.199 0.520 1.00 0.00 C ATOM 146 C ILE A 28 -4.217 -3.153 0.388 1.00 0.00 C ATOM 147 O ILE A 28 -4.234 -2.154 1.102 1.00 0.00 O ATOM 148 CB ILE A 28 -4.901 -5.428 1.343 1.00 0.00 C ATOM 149 CG1 ILE A 28 -6.121 -6.341 1.594 1.00 0.00 C ATOM 150 CG2 ILE A 28 -4.258 -5.010 2.666 1.00 0.00 C ATOM 151 CD1 ILE A 28 -5.748 -7.732 2.113 1.00 0.00 C ATOM 0 H ILE A 28 -5.313 -5.582 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.155 -3.705 1.033 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.154 -5.982 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.783 -5.859 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.682 -6.447 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.965 -5.899 3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.377 -4.401 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.973 -4.432 3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.654 -8.318 2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.111 -8.233 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.213 -7.636 3.058 1.00 0.00 H new ATOM 163 N GLY A 29 -3.251 -3.364 -0.508 1.00 0.00 N ATOM 164 CA GLY A 29 -2.087 -2.511 -0.686 1.00 0.00 C ATOM 165 C GLY A 29 -2.465 -1.067 -0.980 1.00 0.00 C ATOM 166 O GLY A 29 -1.846 -0.151 -0.435 1.00 0.00 O ATOM 0 H GLY A 29 -3.263 -4.159 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.473 -2.547 0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.478 -2.898 -1.503 1.00 0.00 H new ATOM 170 N VAL A 30 -3.492 -0.864 -1.809 1.00 0.00 N ATOM 171 CA VAL A 30 -3.995 0.466 -2.127 1.00 0.00 C ATOM 172 C VAL A 30 -4.605 1.086 -0.866 1.00 0.00 C ATOM 173 O VAL A 30 -4.241 2.203 -0.519 1.00 0.00 O ATOM 174 CB VAL A 30 -4.967 0.396 -3.323 1.00 0.00 C ATOM 175 CG1 VAL A 30 -5.660 1.741 -3.577 1.00 0.00 C ATOM 176 CG2 VAL A 30 -4.207 -0.018 -4.599 1.00 0.00 C ATOM 0 H VAL A 30 -3.995 -1.619 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.184 1.123 -2.443 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.728 -0.345 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.335 1.647 -4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.228 2.030 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.910 2.502 -3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.902 -0.065 -5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.429 0.715 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.752 -0.997 -4.450 1.00 0.00 H new ATOM 186 N LEU A 31 -5.481 0.373 -0.145 1.00 0.00 N ATOM 187 CA LEU A 31 -6.071 0.856 1.110 1.00 0.00 C ATOM 188 C LEU A 31 -4.979 1.274 2.094 1.00 0.00 C ATOM 189 O LEU A 31 -5.047 2.357 2.669 1.00 0.00 O ATOM 190 CB LEU A 31 -6.957 -0.237 1.743 1.00 0.00 C ATOM 191 CG LEU A 31 -8.477 -0.057 1.591 1.00 0.00 C ATOM 192 CD1 LEU A 31 -8.932 0.300 0.175 1.00 0.00 C ATOM 193 CD2 LEU A 31 -9.169 -1.362 2.005 1.00 0.00 C ATOM 0 H LEU A 31 -5.801 -0.557 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.688 1.725 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.681 -1.197 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.724 -0.293 2.806 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.751 0.783 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.016 0.408 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.469 1.238 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.635 -0.492 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.248 -1.250 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.826 -2.175 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.925 -1.590 3.043 1.00 0.00 H new ATOM 205 N ALA A 32 -3.986 0.412 2.304 1.00 0.00 N ATOM 206 CA ALA A 32 -2.878 0.683 3.200 1.00 0.00 C ATOM 207 C ALA A 32 -2.076 1.905 2.738 1.00 0.00 C ATOM 208 O ALA A 32 -1.654 2.699 3.578 1.00 0.00 O ATOM 209 CB ALA A 32 -2.004 -0.569 3.295 1.00 0.00 C ATOM 0 H ALA A 32 -3.933 -0.500 1.850 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.261 0.924 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.167 -0.378 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.597 -1.398 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.625 -0.824 2.305 1.00 0.00 H new ATOM 215 N GLY A 33 -1.890 2.080 1.428 1.00 0.00 N ATOM 216 CA GLY A 33 -1.219 3.243 0.870 1.00 0.00 C ATOM 217 C GLY A 33 -2.046 4.510 1.042 1.00 0.00 C ATOM 218 O GLY A 33 -1.493 5.580 1.273 1.00 0.00 O ATOM 0 H GLY A 33 -2.205 1.411 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.251 3.372 1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.025 3.077 -0.190 1.00 0.00 H new ATOM 222 N LEU A 34 -3.377 4.429 1.013 1.00 0.00 N ATOM 223 CA LEU A 34 -4.196 5.613 1.243 1.00 0.00 C ATOM 224 C LEU A 34 -4.027 6.150 2.669 1.00 0.00 C ATOM 225 O LEU A 34 -4.227 7.341 2.902 1.00 0.00 O ATOM 226 CB LEU A 34 -5.671 5.359 0.907 1.00 0.00 C ATOM 227 CG LEU A 34 -5.956 5.166 -0.596 1.00 0.00 C ATOM 228 CD1 LEU A 34 -7.432 4.798 -0.763 1.00 0.00 C ATOM 229 CD2 LEU A 34 -5.631 6.410 -1.435 1.00 0.00 C ATOM 0 H LEU A 34 -3.900 3.572 0.836 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.839 6.386 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.006 4.472 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.264 6.197 1.273 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.306 4.371 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.654 4.657 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.640 3.875 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.054 5.600 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.853 6.210 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.235 7.249 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.574 6.655 -1.328 1.00 0.00 H new ATOM 241 N ALA A 35 -3.608 5.315 3.625 1.00 0.00 N ATOM 242 CA ALA A 35 -3.254 5.779 4.960 1.00 0.00 C ATOM 243 C ALA A 35 -1.844 6.388 5.029 1.00 0.00 C ATOM 244 O ALA A 35 -1.538 7.050 6.025 1.00 0.00 O ATOM 245 CB ALA A 35 -3.379 4.619 5.956 1.00 0.00 C ATOM 0 H ALA A 35 -3.507 4.309 3.492 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.950 6.576 5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.114 4.967 6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.405 4.252 5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.707 3.813 5.662 1.00 0.00 H new ATOM 251 N ILE A 36 -0.967 6.136 4.052 1.00 0.00 N ATOM 252 CA ILE A 36 0.439 6.519 4.049 1.00 0.00 C ATOM 253 C ILE A 36 0.750 7.111 2.672 1.00 0.00 C ATOM 254 O ILE A 36 1.076 6.392 1.727 1.00 0.00 O ATOM 255 CB ILE A 36 1.361 5.323 4.407 1.00 0.00 C ATOM 256 CG1 ILE A 36 1.317 4.944 5.908 1.00 0.00 C ATOM 257 CG2 ILE A 36 2.847 5.655 4.134 1.00 0.00 C ATOM 258 CD1 ILE A 36 0.116 4.137 6.387 1.00 0.00 C ATOM 0 H ILE A 36 -1.236 5.636 3.205 1.00 0.00 H new ATOM 0 HA ILE A 36 0.633 7.266 4.819 1.00 0.00 H new ATOM 0 HB ILE A 36 0.988 4.507 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.219 4.378 6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.360 5.864 6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.466 4.796 4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.979 5.890 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.145 6.513 4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.212 3.941 7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.798 4.701 6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.074 3.191 5.847 1.00 0.00 H new ATOM 270 N SER A 37 0.730 8.437 2.582 1.00 0.00 N ATOM 271 CA SER A 37 1.082 9.177 1.379 1.00 0.00 C ATOM 272 C SER A 37 0.075 8.880 0.243 1.00 0.00 C ATOM 273 O SER A 37 0.502 8.529 -0.859 1.00 0.00 O ATOM 274 CB SER A 37 2.562 8.868 1.043 1.00 0.00 C ATOM 275 OG SER A 37 3.272 9.998 0.581 1.00 0.00 O ATOM 0 H SER A 37 0.463 9.038 3.361 1.00 0.00 H new ATOM 0 HA SER A 37 1.007 10.254 1.528 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.056 8.474 1.931 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.601 8.087 0.284 1.00 0.00 H new ATOM 0 HG SER A 37 4.199 9.745 0.386 1.00 0.00 H new ATOM 281 N PRO A 38 -1.249 9.073 0.456 1.00 0.00 N ATOM 282 CA PRO A 38 -2.276 8.786 -0.551 1.00 0.00 C ATOM 283 C PRO A 38 -2.005 9.543 -1.849 1.00 0.00 C ATOM 284 O PRO A 38 -2.195 9.026 -2.945 1.00 0.00 O ATOM 285 CB PRO A 38 -3.617 9.237 0.053 1.00 0.00 C ATOM 286 CG PRO A 38 -3.232 10.155 1.210 1.00 0.00 C ATOM 287 CD PRO A 38 -1.877 9.613 1.655 1.00 0.00 C ATOM 0 HA PRO A 38 -2.282 7.724 -0.798 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.226 9.762 -0.683 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.201 8.385 0.401 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.164 11.195 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.965 10.115 2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.266 10.402 2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.996 8.841 2.415 1.00 0.00 H new ATOM 295 N GLU A 39 -1.560 10.788 -1.716 1.00 0.00 N ATOM 296 CA GLU A 39 -1.329 11.703 -2.811 1.00 0.00 C ATOM 297 C GLU A 39 -0.169 11.264 -3.707 1.00 0.00 C ATOM 298 O GLU A 39 -0.236 11.456 -4.917 1.00 0.00 O ATOM 299 CB GLU A 39 -1.040 13.054 -2.169 1.00 0.00 C ATOM 300 CG GLU A 39 -1.410 14.171 -3.127 1.00 0.00 C ATOM 301 CD GLU A 39 -1.214 15.499 -2.429 1.00 0.00 C ATOM 302 OE1 GLU A 39 -2.081 15.859 -1.592 1.00 0.00 O ATOM 303 OE2 GLU A 39 -0.166 16.141 -2.672 1.00 0.00 O ATOM 0 H GLU A 39 -1.345 11.196 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.199 11.740 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.606 13.155 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.016 13.123 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.790 14.121 -4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.446 14.064 -3.449 1.00 0.00 H new ATOM 310 N TRP A 40 0.866 10.648 -3.125 1.00 0.00 N ATOM 311 CA TRP A 40 1.965 10.053 -3.871 1.00 0.00 C ATOM 312 C TRP A 40 1.397 8.915 -4.711 1.00 0.00 C ATOM 313 O TRP A 40 1.515 8.966 -5.931 1.00 0.00 O ATOM 314 CB TRP A 40 3.086 9.608 -2.920 1.00 0.00 C ATOM 315 CG TRP A 40 4.081 8.641 -3.480 1.00 0.00 C ATOM 316 CD1 TRP A 40 5.127 8.949 -4.279 1.00 0.00 C ATOM 317 CD2 TRP A 40 4.080 7.187 -3.353 1.00 0.00 C ATOM 318 NE1 TRP A 40 5.792 7.791 -4.628 1.00 0.00 N ATOM 319 CE2 TRP A 40 5.191 6.672 -4.080 1.00 0.00 C ATOM 320 CE3 TRP A 40 3.216 6.255 -2.737 1.00 0.00 C ATOM 321 CZ2 TRP A 40 5.436 5.296 -4.174 1.00 0.00 C ATOM 322 CZ3 TRP A 40 3.448 4.871 -2.840 1.00 0.00 C ATOM 323 CH2 TRP A 40 4.565 4.393 -3.544 1.00 0.00 C ATOM 0 H TRP A 40 0.959 10.551 -2.114 1.00 0.00 H new ATOM 0 HA TRP A 40 2.425 10.778 -4.542 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.622 10.495 -2.583 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.629 9.158 -2.039 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.400 9.945 -4.595 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.624 7.764 -5.217 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.363 6.610 -2.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.289 4.932 -4.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.765 4.174 -2.376 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.754 3.331 -3.601 1.00 0.00 H new ATOM 334 N LEU A 41 0.690 7.959 -4.090 1.00 0.00 N ATOM 335 CA LEU A 41 0.067 6.837 -4.796 1.00 0.00 C ATOM 336 C LEU A 41 -0.774 7.337 -5.974 1.00 0.00 C ATOM 337 O LEU A 41 -0.618 6.866 -7.103 1.00 0.00 O ATOM 338 CB LEU A 41 -0.715 5.970 -3.794 1.00 0.00 C ATOM 339 CG LEU A 41 -1.451 4.771 -4.424 1.00 0.00 C ATOM 340 CD1 LEU A 41 -1.423 3.563 -3.478 1.00 0.00 C ATOM 341 CD2 LEU A 41 -2.921 5.093 -4.732 1.00 0.00 C ATOM 0 H LEU A 41 0.536 7.945 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 41 0.832 6.197 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.024 5.599 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.443 6.598 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.930 4.545 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.947 2.727 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.389 3.279 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.912 3.824 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.400 4.220 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.436 5.361 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.972 5.928 -5.431 1.00 0.00 H new ATOM 353 N LYS A 42 -1.621 8.339 -5.727 1.00 0.00 N ATOM 354 CA LYS A 42 -2.427 8.993 -6.750 1.00 0.00 C ATOM 355 C LYS A 42 -1.544 9.616 -7.843 1.00 0.00 C ATOM 356 O LYS A 42 -1.826 9.391 -9.016 1.00 0.00 O ATOM 357 CB LYS A 42 -3.365 10.017 -6.085 1.00 0.00 C ATOM 358 CG LYS A 42 -4.516 9.359 -5.294 1.00 0.00 C ATOM 359 CD LYS A 42 -5.300 10.403 -4.477 1.00 0.00 C ATOM 360 CE LYS A 42 -6.446 9.801 -3.643 1.00 0.00 C ATOM 361 NZ LYS A 42 -7.748 9.831 -4.346 1.00 0.00 N ATOM 0 H LYS A 42 -1.765 8.722 -4.793 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.046 8.251 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.785 10.649 -5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.785 10.668 -6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.191 8.852 -5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.113 8.599 -4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.611 10.922 -3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.710 11.150 -5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.200 8.770 -3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.533 10.349 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.513 9.640 -3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.890 10.768 -4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.757 9.106 -5.091 1.00 0.00 H new ATOM 375 N GLN A 43 -0.481 10.367 -7.521 1.00 0.00 N ATOM 376 CA GLN A 43 0.455 10.923 -8.510 1.00 0.00 C ATOM 377 C GLN A 43 1.114 9.836 -9.363 1.00 0.00 C ATOM 378 O GLN A 43 1.278 10.039 -10.567 1.00 0.00 O ATOM 379 CB GLN A 43 1.552 11.788 -7.849 1.00 0.00 C ATOM 380 CG GLN A 43 1.088 13.232 -7.609 1.00 0.00 C ATOM 381 CD GLN A 43 2.147 14.170 -7.014 1.00 0.00 C ATOM 382 OE1 GLN A 43 1.789 15.169 -6.392 1.00 0.00 O ATOM 383 NE2 GLN A 43 3.446 13.936 -7.173 1.00 0.00 N ATOM 0 H GLN A 43 -0.244 10.608 -6.559 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.149 11.556 -9.160 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.843 11.339 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.439 11.794 -8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.748 13.649 -8.557 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.226 13.213 -6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.757 13.111 -7.687 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.132 14.581 -6.781 1.00 0.00 H new ATOM 392 N ASN A 44 1.494 8.703 -8.770 1.00 0.00 N ATOM 393 CA ASN A 44 2.173 7.622 -9.480 1.00 0.00 C ATOM 394 C ASN A 44 1.210 7.003 -10.493 1.00 0.00 C ATOM 395 O ASN A 44 1.570 6.692 -11.632 1.00 0.00 O ATOM 396 CB ASN A 44 2.618 6.490 -8.536 1.00 0.00 C ATOM 397 CG ASN A 44 3.261 6.860 -7.208 1.00 0.00 C ATOM 398 OD1 ASN A 44 3.044 6.141 -6.244 1.00 0.00 O ATOM 399 ND2 ASN A 44 4.051 7.915 -7.111 1.00 0.00 N ATOM 0 H ASN A 44 1.338 8.510 -7.781 1.00 0.00 H new ATOM 0 HA ASN A 44 3.051 8.058 -9.956 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.744 5.876 -8.321 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.322 5.862 -9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.492 8.142 -6.220 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.220 8.503 -7.927 1.00 0.00 H new ATOM 406 N ILE A 45 -0.028 6.755 -10.063 1.00 0.00 N ATOM 407 CA ILE A 45 -1.054 6.149 -10.897 1.00 0.00 C ATOM 408 C ILE A 45 -1.516 7.154 -11.948 1.00 0.00 C ATOM 409 O ILE A 45 -1.789 6.751 -13.073 1.00 0.00 O ATOM 410 CB ILE A 45 -2.205 5.620 -10.026 1.00 0.00 C ATOM 411 CG1 ILE A 45 -1.651 4.479 -9.153 1.00 0.00 C ATOM 412 CG2 ILE A 45 -3.353 5.110 -10.909 1.00 0.00 C ATOM 413 CD1 ILE A 45 -2.648 3.990 -8.123 1.00 0.00 C ATOM 0 H ILE A 45 -0.344 6.973 -9.118 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.647 5.289 -11.428 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.600 6.418 -9.397 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.360 3.647 -9.793 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.749 4.821 -8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.160 4.739 -10.278 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.724 5.925 -11.530 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.991 4.304 -11.547 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.202 3.186 -7.538 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.921 4.812 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.540 3.619 -8.628 1.00 0.00 H new ATOM 425 N ALA A 46 -1.518 8.451 -11.639 1.00 0.00 N ATOM 426 CA ALA A 46 -1.795 9.512 -12.595 1.00 0.00 C ATOM 427 C ALA A 46 -0.630 9.747 -13.570 1.00 0.00 C ATOM 428 O ALA A 46 -0.764 10.567 -14.478 1.00 0.00 O ATOM 429 CB ALA A 46 -2.174 10.791 -11.846 1.00 0.00 C ATOM 0 H ALA A 46 -1.323 8.795 -10.699 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.638 9.200 -13.212 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.381 11.585 -12.563 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.062 10.608 -11.240 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.349 11.092 -11.200 1.00 0.00 H new ATOM 435 N ALA A 47 0.508 9.055 -13.407 1.00 0.00 N ATOM 436 CA ALA A 47 1.498 8.873 -14.471 1.00 0.00 C ATOM 437 C ALA A 47 1.245 7.586 -15.266 1.00 0.00 C ATOM 438 O ALA A 47 1.768 7.414 -16.371 1.00 0.00 O ATOM 439 CB ALA A 47 2.909 8.821 -13.879 1.00 0.00 C ATOM 0 H ALA A 47 0.765 8.605 -12.528 1.00 0.00 H new ATOM 0 HA ALA A 47 1.406 9.724 -15.147 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.635 8.685 -14.681 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.118 9.753 -13.354 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.980 7.987 -13.180 1.00 0.00 H new ATOM 445 N ASN A 48 0.435 6.684 -14.710 1.00 0.00 N ATOM 446 CA ASN A 48 0.185 5.318 -15.148 1.00 0.00 C ATOM 447 C ASN A 48 1.442 4.478 -14.924 1.00 0.00 C ATOM 448 O ASN A 48 1.705 3.567 -15.695 1.00 0.00 O ATOM 449 CB ASN A 48 -0.371 5.264 -16.586 1.00 0.00 C ATOM 450 CG ASN A 48 -1.272 4.061 -16.814 1.00 0.00 C ATOM 451 OD1 ASN A 48 -2.479 4.222 -16.971 1.00 0.00 O ATOM 452 ND2 ASN A 48 -0.726 2.862 -16.824 1.00 0.00 N ATOM 0 H ASN A 48 -0.104 6.912 -13.875 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.607 4.876 -14.543 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.930 6.177 -16.791 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.458 5.232 -17.292 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.309 2.037 -16.965 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.280 2.759 -16.691 1.00 0.00 H new ATOM 459 N GLN A 49 2.248 4.813 -13.905 1.00 0.00 N ATOM 460 CA GLN A 49 3.448 4.052 -13.598 1.00 0.00 C ATOM 461 C GLN A 49 3.135 3.007 -12.507 1.00 0.00 C ATOM 462 O GLN A 49 2.745 1.903 -12.841 1.00 0.00 O ATOM 463 CB GLN A 49 4.541 5.052 -13.152 1.00 0.00 C ATOM 464 CG GLN A 49 5.154 5.903 -14.287 1.00 0.00 C ATOM 465 CD GLN A 49 6.370 5.211 -14.891 1.00 0.00 C ATOM 466 OE1 GLN A 49 7.507 5.605 -14.657 1.00 0.00 O ATOM 467 NE2 GLN A 49 6.154 4.109 -15.586 1.00 0.00 N ATOM 0 H GLN A 49 2.083 5.606 -13.286 1.00 0.00 H new ATOM 0 HA GLN A 49 3.806 3.504 -14.470 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.115 5.723 -12.406 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.341 4.497 -12.662 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.407 6.075 -15.062 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.442 6.880 -13.899 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.199 3.800 -15.769 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.942 3.567 -15.940 1.00 0.00 H new ATOM 476 N LEU A 50 3.276 3.374 -11.234 1.00 0.00 N ATOM 477 CA LEU A 50 2.964 2.624 -9.995 1.00 0.00 C ATOM 478 C LEU A 50 3.356 1.132 -10.051 1.00 0.00 C ATOM 479 O LEU A 50 2.547 0.332 -10.512 1.00 0.00 O ATOM 480 CB LEU A 50 1.567 2.848 -9.398 1.00 0.00 C ATOM 481 CG LEU A 50 1.522 2.250 -7.958 1.00 0.00 C ATOM 482 CD1 LEU A 50 2.184 3.167 -6.921 1.00 0.00 C ATOM 483 CD2 LEU A 50 0.103 1.932 -7.481 1.00 0.00 C ATOM 0 H LEU A 50 3.649 4.297 -11.011 1.00 0.00 H new ATOM 0 HA LEU A 50 3.630 3.094 -9.271 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.337 3.913 -9.370 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.811 2.375 -10.025 1.00 0.00 H new ATOM 0 HG LEU A 50 2.084 1.319 -8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.125 2.704 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.229 3.322 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.668 4.127 -6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.142 1.519 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.493 2.845 -7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.352 1.205 -8.153 1.00 0.00 H new ATOM 495 N VAL A 51 4.507 0.725 -9.525 1.00 0.00 N ATOM 496 CA VAL A 51 4.940 -0.673 -9.606 1.00 0.00 C ATOM 497 C VAL A 51 4.547 -1.396 -8.304 1.00 0.00 C ATOM 498 O VAL A 51 4.584 -0.814 -7.215 1.00 0.00 O ATOM 499 CB VAL A 51 6.443 -0.742 -9.945 1.00 0.00 C ATOM 500 CG1 VAL A 51 6.937 -2.196 -10.078 1.00 0.00 C ATOM 501 CG2 VAL A 51 6.725 -0.019 -11.277 1.00 0.00 C ATOM 0 H VAL A 51 5.159 1.340 -9.038 1.00 0.00 H new ATOM 0 HA VAL A 51 4.435 -1.197 -10.417 1.00 0.00 H new ATOM 0 HB VAL A 51 6.973 -0.259 -9.124 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.000 -2.199 -10.317 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.775 -2.723 -9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.385 -2.696 -10.874 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.790 -0.076 -11.503 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.158 -0.495 -12.077 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.427 1.026 -11.194 1.00 0.00 H new ATOM 511 N TYR A 52 4.156 -2.666 -8.437 1.00 0.00 N ATOM 512 CA TYR A 52 3.835 -3.622 -7.388 1.00 0.00 C ATOM 513 C TYR A 52 4.795 -4.802 -7.521 1.00 0.00 C ATOM 514 O TYR A 52 4.991 -5.335 -8.616 1.00 0.00 O ATOM 515 CB TYR A 52 2.381 -4.095 -7.567 1.00 0.00 C ATOM 516 CG TYR A 52 1.939 -5.268 -6.697 1.00 0.00 C ATOM 517 CD1 TYR A 52 2.287 -6.588 -7.055 1.00 0.00 C ATOM 518 CD2 TYR A 52 1.163 -5.050 -5.542 1.00 0.00 C ATOM 519 CE1 TYR A 52 1.875 -7.675 -6.262 1.00 0.00 C ATOM 520 CE2 TYR A 52 0.777 -6.130 -4.724 1.00 0.00 C ATOM 521 CZ TYR A 52 1.101 -7.449 -5.106 1.00 0.00 C ATOM 522 OH TYR A 52 0.668 -8.500 -4.360 1.00 0.00 O ATOM 0 H TYR A 52 4.049 -3.082 -9.362 1.00 0.00 H new ATOM 0 HA TYR A 52 3.937 -3.170 -6.401 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.720 -3.252 -7.366 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.237 -4.371 -8.612 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.874 -6.765 -7.944 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.861 -4.046 -5.281 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.152 -8.682 -6.539 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.235 -5.949 -3.808 1.00 0.00 H new ATOM 0 HH TYR A 52 0.149 -8.168 -3.598 1.00 0.00 H new ATOM 532 N GLY A 53 5.314 -5.287 -6.399 1.00 0.00 N ATOM 533 CA GLY A 53 6.177 -6.445 -6.334 1.00 0.00 C ATOM 534 C GLY A 53 6.068 -7.085 -4.966 1.00 0.00 C ATOM 535 O GLY A 53 5.424 -6.543 -4.065 1.00 0.00 O ATOM 0 H GLY A 53 5.136 -4.868 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.898 -7.163 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.209 -6.153 -6.529 1.00 0.00 H new ATOM 539 N ILE A 54 6.734 -8.223 -4.821 1.00 0.00 N ATOM 540 CA ILE A 54 6.915 -8.959 -3.579 1.00 0.00 C ATOM 541 C ILE A 54 8.415 -8.954 -3.319 1.00 0.00 C ATOM 542 O ILE A 54 9.189 -9.011 -4.275 1.00 0.00 O ATOM 543 CB ILE A 54 6.342 -10.385 -3.751 1.00 0.00 C ATOM 544 CG1 ILE A 54 4.804 -10.341 -3.879 1.00 0.00 C ATOM 545 CG2 ILE A 54 6.785 -11.364 -2.646 1.00 0.00 C ATOM 546 CD1 ILE A 54 4.060 -10.246 -2.549 1.00 0.00 C ATOM 0 H ILE A 54 7.187 -8.682 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 54 6.391 -8.518 -2.731 1.00 0.00 H new ATOM 0 HB ILE A 54 6.762 -10.777 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.528 -9.487 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.470 -11.236 -4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.346 -12.344 -2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.872 -11.447 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.451 -10.994 -1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.986 -10.220 -2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.302 -11.113 -1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.360 -9.337 -2.028 1.00 0.00 H new ATOM 558 N VAL A 55 8.810 -8.909 -2.051 1.00 0.00 N ATOM 559 CA VAL A 55 10.178 -8.966 -1.576 1.00 0.00 C ATOM 560 C VAL A 55 10.925 -10.147 -2.210 1.00 0.00 C ATOM 561 O VAL A 55 11.693 -9.915 -3.145 1.00 0.00 O ATOM 562 CB VAL A 55 10.136 -8.898 -0.031 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.435 -9.303 0.673 1.00 0.00 C ATOM 564 CG2 VAL A 55 9.815 -7.443 0.358 1.00 0.00 C ATOM 0 H VAL A 55 8.140 -8.827 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 55 10.779 -8.115 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 55 9.383 -9.617 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.305 -9.222 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.684 -10.332 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.242 -8.643 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.777 -7.357 1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.590 -6.783 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.851 -7.158 -0.062 1.00 0.00 H new ATOM 574 N LYS A 56 10.717 -11.391 -1.756 1.00 0.00 N ATOM 575 CA LYS A 56 11.553 -12.564 -2.047 1.00 0.00 C ATOM 576 C LYS A 56 13.023 -12.341 -1.620 1.00 0.00 C ATOM 577 O LYS A 56 13.407 -11.218 -1.290 1.00 0.00 O ATOM 578 CB LYS A 56 11.384 -12.930 -3.528 1.00 0.00 C ATOM 579 CG LYS A 56 9.919 -13.149 -3.936 1.00 0.00 C ATOM 580 CD LYS A 56 9.732 -14.383 -4.820 1.00 0.00 C ATOM 581 CE LYS A 56 8.246 -14.543 -5.153 1.00 0.00 C ATOM 582 NZ LYS A 56 8.016 -15.536 -6.218 1.00 0.00 N ATOM 0 H LYS A 56 9.928 -11.617 -1.150 1.00 0.00 H new ATOM 0 HA LYS A 56 11.224 -13.417 -1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.810 -12.137 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.952 -13.836 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.308 -13.253 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.558 -12.268 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.313 -14.280 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.100 -15.272 -4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.705 -14.844 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.839 -13.580 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.996 -15.610 -6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.510 -15.238 -7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.379 -16.462 -5.914 1.00 0.00 H new ATOM 596 N PRO A 57 13.872 -13.381 -1.539 1.00 0.00 N ATOM 597 CA PRO A 57 15.242 -13.186 -1.073 1.00 0.00 C ATOM 598 C PRO A 57 16.140 -12.530 -2.128 1.00 0.00 C ATOM 599 O PRO A 57 17.063 -11.797 -1.768 1.00 0.00 O ATOM 600 CB PRO A 57 15.744 -14.577 -0.701 1.00 0.00 C ATOM 601 CG PRO A 57 14.915 -15.519 -1.560 1.00 0.00 C ATOM 602 CD PRO A 57 13.573 -14.799 -1.684 1.00 0.00 C ATOM 0 HA PRO A 57 15.268 -12.501 -0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.809 -14.684 -0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.603 -14.780 0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.374 -15.683 -2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.804 -16.497 -1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.106 -15.004 -2.647 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.877 -15.133 -0.915 1.00 0.00 H new ATOM 610 N SER A 58 15.900 -12.806 -3.415 1.00 0.00 N ATOM 611 CA SER A 58 16.691 -12.316 -4.539 1.00 0.00 C ATOM 612 C SER A 58 16.270 -10.873 -4.857 1.00 0.00 C ATOM 613 O SER A 58 15.695 -10.578 -5.908 1.00 0.00 O ATOM 614 CB SER A 58 16.544 -13.316 -5.703 1.00 0.00 C ATOM 615 OG SER A 58 17.247 -12.965 -6.885 1.00 0.00 O ATOM 0 H SER A 58 15.122 -13.397 -3.708 1.00 0.00 H new ATOM 0 HA SER A 58 17.756 -12.263 -4.315 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.890 -14.294 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.486 -13.418 -5.944 1.00 0.00 H new ATOM 0 HG SER A 58 17.101 -13.652 -7.569 1.00 0.00 H new ATOM 621 N ASP A 59 16.568 -9.957 -3.937 1.00 0.00 N ATOM 622 CA ASP A 59 16.670 -8.515 -4.160 1.00 0.00 C ATOM 623 C ASP A 59 17.559 -7.943 -3.047 1.00 0.00 C ATOM 624 O ASP A 59 18.230 -8.728 -2.368 1.00 0.00 O ATOM 625 CB ASP A 59 15.276 -7.862 -4.205 1.00 0.00 C ATOM 626 CG ASP A 59 15.113 -6.778 -5.258 1.00 0.00 C ATOM 627 OD1 ASP A 59 16.020 -6.578 -6.099 1.00 0.00 O ATOM 628 OD2 ASP A 59 14.076 -6.078 -5.224 1.00 0.00 O ATOM 0 H ASP A 59 16.754 -10.213 -2.967 1.00 0.00 H new ATOM 0 HA ASP A 59 17.122 -8.299 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.532 -8.638 -4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.059 -7.434 -3.226 1.00 0.00 H new ATOM 633 N THR A 60 17.621 -6.625 -2.847 1.00 0.00 N ATOM 634 CA THR A 60 18.340 -6.002 -1.737 1.00 0.00 C ATOM 635 C THR A 60 17.299 -5.421 -0.779 1.00 0.00 C ATOM 636 O THR A 60 16.705 -4.394 -1.105 1.00 0.00 O ATOM 637 CB THR A 60 19.281 -4.913 -2.284 1.00 0.00 C ATOM 638 OG1 THR A 60 20.063 -5.423 -3.349 1.00 0.00 O ATOM 639 CG2 THR A 60 20.214 -4.398 -1.186 1.00 0.00 C ATOM 0 H THR A 60 17.165 -5.951 -3.462 1.00 0.00 H new ATOM 0 HA THR A 60 18.955 -6.726 -1.202 1.00 0.00 H new ATOM 0 HB THR A 60 18.662 -4.092 -2.645 1.00 0.00 H new ATOM 0 HG1 THR A 60 20.655 -4.719 -3.687 1.00 0.00 H new ATOM 0 HG21 THR A 60 20.869 -3.630 -1.596 1.00 0.00 H new ATOM 0 HG22 THR A 60 19.622 -3.975 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 60 20.816 -5.222 -0.804 1.00 0.00 H new ATOM 647 N VAL A 61 17.056 -6.052 0.374 1.00 0.00 N ATOM 648 CA VAL A 61 15.956 -5.685 1.273 1.00 0.00 C ATOM 649 C VAL A 61 16.369 -5.698 2.750 1.00 0.00 C ATOM 650 O VAL A 61 17.335 -6.375 3.124 1.00 0.00 O ATOM 651 CB VAL A 61 14.748 -6.623 1.062 1.00 0.00 C ATOM 652 CG1 VAL A 61 13.895 -6.114 -0.106 1.00 0.00 C ATOM 653 CG2 VAL A 61 15.172 -8.095 0.899 1.00 0.00 C ATOM 0 H VAL A 61 17.618 -6.834 0.711 1.00 0.00 H new ATOM 0 HA VAL A 61 15.677 -4.662 1.021 1.00 0.00 H new ATOM 0 HB VAL A 61 14.132 -6.603 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.044 -6.779 -0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.537 -5.109 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.498 -6.092 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.287 -8.715 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 61 15.828 -8.191 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.701 -8.423 1.794 1.00 0.00 H new ATOM 663 N PRO A 62 15.615 -4.989 3.608 1.00 0.00 N ATOM 664 CA PRO A 62 15.797 -5.020 5.048 1.00 0.00 C ATOM 665 C PRO A 62 15.308 -6.341 5.640 1.00 0.00 C ATOM 666 O PRO A 62 14.502 -7.060 5.051 1.00 0.00 O ATOM 667 CB PRO A 62 14.951 -3.860 5.579 1.00 0.00 C ATOM 668 CG PRO A 62 13.819 -3.765 4.566 1.00 0.00 C ATOM 669 CD PRO A 62 14.498 -4.122 3.256 1.00 0.00 C ATOM 0 HA PRO A 62 16.849 -4.930 5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.577 -4.060 6.583 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.524 -2.934 5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.009 -4.455 4.801 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.387 -2.765 4.537 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.807 -4.630 2.583 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.846 -3.227 2.740 1.00 0.00 H new ATOM 677 N ALA A 63 15.723 -6.593 6.878 1.00 0.00 N ATOM 678 CA ALA A 63 15.202 -7.666 7.698 1.00 0.00 C ATOM 679 C ALA A 63 13.705 -7.481 7.986 1.00 0.00 C ATOM 680 O ALA A 63 13.270 -6.378 8.349 1.00 0.00 O ATOM 681 CB ALA A 63 16.005 -7.666 8.997 1.00 0.00 C ATOM 0 H ALA A 63 16.445 -6.042 7.342 1.00 0.00 H new ATOM 0 HA ALA A 63 15.300 -8.618 7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.644 -8.463 9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.059 -7.830 8.773 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.886 -6.706 9.499 1.00 0.00 H new ATOM 687 N GLY A 64 12.929 -8.565 7.912 1.00 0.00 N ATOM 688 CA GLY A 64 11.582 -8.616 8.472 1.00 0.00 C ATOM 689 C GLY A 64 10.496 -8.163 7.501 1.00 0.00 C ATOM 690 O GLY A 64 9.502 -7.582 7.935 1.00 0.00 O ATOM 0 H GLY A 64 13.220 -9.432 7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.369 -9.636 8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.545 -7.989 9.363 1.00 0.00 H new ATOM 694 N VAL A 65 10.676 -8.379 6.198 1.00 0.00 N ATOM 695 CA VAL A 65 9.642 -8.155 5.179 1.00 0.00 C ATOM 696 C VAL A 65 9.613 -9.332 4.193 1.00 0.00 C ATOM 697 O VAL A 65 9.211 -9.177 3.052 1.00 0.00 O ATOM 698 CB VAL A 65 9.828 -6.782 4.479 1.00 0.00 C ATOM 699 CG1 VAL A 65 9.481 -5.612 5.407 1.00 0.00 C ATOM 700 CG2 VAL A 65 11.249 -6.556 3.935 1.00 0.00 C ATOM 0 H VAL A 65 11.556 -8.720 5.812 1.00 0.00 H new ATOM 0 HA VAL A 65 8.666 -8.113 5.663 1.00 0.00 H new ATOM 0 HB VAL A 65 9.136 -6.813 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.626 -4.671 4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.441 -5.694 5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.129 -5.638 6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.305 -5.577 3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.965 -6.602 4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.486 -7.329 3.204 1.00 0.00 H new ATOM 710 N ASP A 66 10.099 -10.506 4.590 1.00 0.00 N ATOM 711 CA ASP A 66 10.719 -11.504 3.709 1.00 0.00 C ATOM 712 C ASP A 66 9.826 -12.123 2.621 1.00 0.00 C ATOM 713 O ASP A 66 10.326 -12.864 1.776 1.00 0.00 O ATOM 714 CB ASP A 66 11.302 -12.618 4.589 1.00 0.00 C ATOM 715 CG ASP A 66 12.348 -12.126 5.586 1.00 0.00 C ATOM 716 OD1 ASP A 66 13.508 -11.910 5.186 1.00 0.00 O ATOM 717 OD2 ASP A 66 11.969 -11.924 6.769 1.00 0.00 O ATOM 0 H ASP A 66 10.073 -10.803 5.566 1.00 0.00 H new ATOM 0 HA ASP A 66 11.475 -10.959 3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.491 -13.100 5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.751 -13.377 3.949 1.00 0.00 H new ATOM 722 N ASP A 67 8.522 -11.870 2.667 1.00 0.00 N ATOM 723 CA ASP A 67 7.474 -12.215 1.674 1.00 0.00 C ATOM 724 C ASP A 67 6.361 -11.154 1.644 1.00 0.00 C ATOM 725 O ASP A 67 5.199 -11.449 1.367 1.00 0.00 O ATOM 726 CB ASP A 67 6.909 -13.608 2.004 1.00 0.00 C ATOM 727 CG ASP A 67 6.103 -14.289 0.890 1.00 0.00 C ATOM 728 OD1 ASP A 67 6.316 -14.030 -0.315 1.00 0.00 O ATOM 729 OD2 ASP A 67 5.372 -15.253 1.239 1.00 0.00 O ATOM 0 H ASP A 67 8.122 -11.375 3.464 1.00 0.00 H new ATOM 0 HA ASP A 67 7.917 -12.235 0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.739 -14.260 2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.272 -13.521 2.884 1.00 0.00 H new ATOM 734 N TYR A 68 6.695 -9.916 2.013 1.00 0.00 N ATOM 735 CA TYR A 68 5.788 -8.778 1.965 1.00 0.00 C ATOM 736 C TYR A 68 5.687 -8.275 0.527 1.00 0.00 C ATOM 737 O TYR A 68 6.643 -8.391 -0.246 1.00 0.00 O ATOM 738 CB TYR A 68 6.282 -7.654 2.889 1.00 0.00 C ATOM 739 CG TYR A 68 6.015 -7.820 4.380 1.00 0.00 C ATOM 740 CD1 TYR A 68 6.001 -9.093 4.996 1.00 0.00 C ATOM 741 CD2 TYR A 68 5.646 -6.685 5.133 1.00 0.00 C ATOM 742 CE1 TYR A 68 5.634 -9.219 6.342 1.00 0.00 C ATOM 743 CE2 TYR A 68 5.268 -6.810 6.483 1.00 0.00 C ATOM 744 CZ TYR A 68 5.264 -8.085 7.096 1.00 0.00 C ATOM 745 OH TYR A 68 4.856 -8.224 8.385 1.00 0.00 O ATOM 0 H TYR A 68 7.624 -9.676 2.360 1.00 0.00 H new ATOM 0 HA TYR A 68 4.803 -9.091 2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.357 -7.546 2.747 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.822 -6.721 2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.274 -9.970 4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.654 -5.710 4.668 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.634 -10.194 6.807 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.982 -5.936 7.049 1.00 0.00 H new ATOM 0 HH TYR A 68 5.455 -7.719 8.974 1.00 0.00 H new ATOM 755 N SER A 69 4.568 -7.640 0.189 1.00 0.00 N ATOM 756 CA SER A 69 4.419 -6.820 -0.983 1.00 0.00 C ATOM 757 C SER A 69 5.117 -5.474 -0.734 1.00 0.00 C ATOM 758 O SER A 69 5.189 -5.018 0.413 1.00 0.00 O ATOM 759 CB SER A 69 2.913 -6.655 -1.185 1.00 0.00 C ATOM 760 OG SER A 69 2.216 -7.895 -1.213 1.00 0.00 O ATOM 0 H SER A 69 3.718 -7.692 0.751 1.00 0.00 H new ATOM 0 HA SER A 69 4.870 -7.256 -1.874 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.510 -6.036 -0.383 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.734 -6.123 -2.119 1.00 0.00 H new ATOM 0 HG SER A 69 1.279 -7.749 -0.965 1.00 0.00 H new ATOM 766 N TYR A 70 5.604 -4.816 -1.790 1.00 0.00 N ATOM 767 CA TYR A 70 6.049 -3.427 -1.755 1.00 0.00 C ATOM 768 C TYR A 70 5.491 -2.661 -2.948 1.00 0.00 C ATOM 769 O TYR A 70 5.338 -3.225 -4.040 1.00 0.00 O ATOM 770 CB TYR A 70 7.577 -3.295 -1.674 1.00 0.00 C ATOM 771 CG TYR A 70 8.347 -3.727 -2.910 1.00 0.00 C ATOM 772 CD1 TYR A 70 8.666 -5.083 -3.119 1.00 0.00 C ATOM 773 CD2 TYR A 70 8.792 -2.758 -3.831 1.00 0.00 C ATOM 774 CE1 TYR A 70 9.431 -5.468 -4.237 1.00 0.00 C ATOM 775 CE2 TYR A 70 9.566 -3.136 -4.940 1.00 0.00 C ATOM 776 CZ TYR A 70 9.887 -4.493 -5.154 1.00 0.00 C ATOM 777 OH TYR A 70 10.625 -4.840 -6.244 1.00 0.00 O ATOM 0 H TYR A 70 5.700 -5.246 -2.710 1.00 0.00 H new ATOM 0 HA TYR A 70 5.656 -2.986 -0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.822 -2.254 -1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.929 -3.883 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.323 -5.830 -2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.536 -1.719 -3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.670 -6.509 -4.394 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.917 -2.385 -5.632 1.00 0.00 H new ATOM 0 HH TYR A 70 10.846 -4.036 -6.759 1.00 0.00 H new ATOM 787 N LEU A 71 5.184 -1.384 -2.737 1.00 0.00 N ATOM 788 CA LEU A 71 4.724 -0.428 -3.737 1.00 0.00 C ATOM 789 C LEU A 71 5.801 0.640 -3.830 1.00 0.00 C ATOM 790 O LEU A 71 6.343 1.083 -2.812 1.00 0.00 O ATOM 791 CB LEU A 71 3.387 0.222 -3.327 1.00 0.00 C ATOM 792 CG LEU A 71 2.153 -0.645 -3.644 1.00 0.00 C ATOM 793 CD1 LEU A 71 0.944 -0.171 -2.827 1.00 0.00 C ATOM 794 CD2 LEU A 71 1.792 -0.626 -5.130 1.00 0.00 C ATOM 0 H LEU A 71 5.254 -0.966 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 71 4.556 -0.929 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.408 0.431 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.288 1.180 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 71 2.412 -1.669 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.080 -0.793 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.170 -0.250 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.722 0.867 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.916 -1.252 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.572 0.396 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.630 -1.008 -5.713 1.00 0.00 H new ATOM 806 N VAL A 72 6.096 1.036 -5.056 1.00 0.00 N ATOM 807 CA VAL A 72 7.085 2.028 -5.446 1.00 0.00 C ATOM 808 C VAL A 72 6.518 2.648 -6.739 1.00 0.00 C ATOM 809 O VAL A 72 5.559 2.116 -7.311 1.00 0.00 O ATOM 810 CB VAL A 72 8.455 1.300 -5.568 1.00 0.00 C ATOM 811 CG1 VAL A 72 8.458 0.250 -6.675 1.00 0.00 C ATOM 812 CG2 VAL A 72 9.689 2.181 -5.784 1.00 0.00 C ATOM 0 H VAL A 72 5.615 0.644 -5.865 1.00 0.00 H new ATOM 0 HA VAL A 72 7.267 2.840 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 72 8.546 0.854 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.436 -0.229 -6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.695 -0.500 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.245 0.728 -7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.577 1.553 -5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.574 2.748 -6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.795 2.870 -4.946 1.00 0.00 H new ATOM 822 N ALA A 73 7.057 3.760 -7.230 1.00 0.00 N ATOM 823 CA ALA A 73 6.751 4.237 -8.576 1.00 0.00 C ATOM 824 C ALA A 73 7.986 4.053 -9.440 1.00 0.00 C ATOM 825 O ALA A 73 9.099 4.074 -8.919 1.00 0.00 O ATOM 826 CB ALA A 73 6.309 5.696 -8.543 1.00 0.00 C ATOM 0 H ALA A 73 7.710 4.350 -6.714 1.00 0.00 H new ATOM 0 HA ALA A 73 5.925 3.664 -8.998 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.086 6.032 -9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.417 5.792 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.108 6.309 -8.125 1.00 0.00 H new ATOM 832 N ALA A 74 7.801 3.904 -10.752 1.00 0.00 N ATOM 833 CA ALA A 74 8.918 3.743 -11.677 1.00 0.00 C ATOM 834 C ALA A 74 9.648 5.058 -11.968 1.00 0.00 C ATOM 835 O ALA A 74 10.580 5.068 -12.775 1.00 0.00 O ATOM 836 CB ALA A 74 8.438 3.081 -12.966 1.00 0.00 C ATOM 0 H ALA A 74 6.883 3.892 -11.197 1.00 0.00 H new ATOM 0 HA ALA A 74 9.648 3.095 -11.192 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.278 2.965 -13.650 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.018 2.101 -12.737 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.674 3.703 -13.432 1.00 0.00 H new ATOM 842 N ASP A 75 9.258 6.166 -11.333 1.00 0.00 N ATOM 843 CA ASP A 75 10.158 7.306 -11.229 1.00 0.00 C ATOM 844 C ASP A 75 10.811 7.330 -9.852 1.00 0.00 C ATOM 845 O ASP A 75 12.030 7.374 -9.744 1.00 0.00 O ATOM 846 CB ASP A 75 9.467 8.629 -11.575 1.00 0.00 C ATOM 847 CG ASP A 75 10.501 9.648 -12.070 1.00 0.00 C ATOM 848 OD1 ASP A 75 11.123 9.400 -13.137 1.00 0.00 O ATOM 849 OD2 ASP A 75 10.638 10.728 -11.460 1.00 0.00 O ATOM 0 H ASP A 75 8.346 6.293 -10.894 1.00 0.00 H new ATOM 0 HA ASP A 75 10.945 7.188 -11.974 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.711 8.464 -12.343 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.951 9.019 -10.698 1.00 0.00 H new ATOM 854 N ASP A 76 10.013 7.175 -8.793 1.00 0.00 N ATOM 855 CA ASP A 76 10.413 7.284 -7.383 1.00 0.00 C ATOM 856 C ASP A 76 11.178 6.035 -6.888 1.00 0.00 C ATOM 857 O ASP A 76 11.104 5.712 -5.699 1.00 0.00 O ATOM 858 CB ASP A 76 9.166 7.498 -6.486 1.00 0.00 C ATOM 859 CG ASP A 76 8.474 8.848 -6.573 1.00 0.00 C ATOM 860 OD1 ASP A 76 9.071 9.839 -6.099 1.00 0.00 O ATOM 861 OD2 ASP A 76 7.287 8.869 -6.962 1.00 0.00 O ATOM 0 H ASP A 76 9.022 6.960 -8.898 1.00 0.00 H new ATOM 0 HA ASP A 76 11.083 8.141 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.436 6.727 -6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.463 7.336 -5.450 1.00 0.00 H new ATOM 866 N GLN A 77 11.836 5.264 -7.760 1.00 0.00 N ATOM 867 CA GLN A 77 12.322 3.898 -7.499 1.00 0.00 C ATOM 868 C GLN A 77 13.249 3.796 -6.281 1.00 0.00 C ATOM 869 O GLN A 77 13.354 2.735 -5.660 1.00 0.00 O ATOM 870 CB GLN A 77 13.066 3.325 -8.711 1.00 0.00 C ATOM 871 CG GLN A 77 12.249 3.277 -10.009 1.00 0.00 C ATOM 872 CD GLN A 77 13.049 3.851 -11.167 1.00 0.00 C ATOM 873 OE1 GLN A 77 13.475 3.132 -12.070 1.00 0.00 O ATOM 874 NE2 GLN A 77 13.314 5.142 -11.121 1.00 0.00 N ATOM 0 H GLN A 77 12.055 5.583 -8.704 1.00 0.00 H new ATOM 0 HA GLN A 77 11.421 3.320 -7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 77 13.961 3.922 -8.885 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.398 2.315 -8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.967 2.247 -10.230 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.324 3.841 -9.884 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.946 5.711 -10.359 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.887 5.571 -11.848 1.00 0.00 H new ATOM 883 N ASP A 78 13.969 4.870 -5.974 1.00 0.00 N ATOM 884 CA ASP A 78 14.833 5.051 -4.805 1.00 0.00 C ATOM 885 C ASP A 78 14.494 6.346 -4.062 1.00 0.00 C ATOM 886 O ASP A 78 15.216 6.735 -3.143 1.00 0.00 O ATOM 887 CB ASP A 78 16.321 4.959 -5.185 1.00 0.00 C ATOM 888 CG ASP A 78 16.719 5.882 -6.333 1.00 0.00 C ATOM 889 OD1 ASP A 78 16.881 7.104 -6.129 1.00 0.00 O ATOM 890 OD2 ASP A 78 16.836 5.363 -7.469 1.00 0.00 O ATOM 0 H ASP A 78 13.966 5.695 -6.574 1.00 0.00 H new ATOM 0 HA ASP A 78 14.640 4.232 -4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 78 16.926 5.200 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.554 3.930 -5.460 1.00 0.00 H new ATOM 895 N GLY A 79 13.366 6.974 -4.402 1.00 0.00 N ATOM 896 CA GLY A 79 12.839 8.163 -3.757 1.00 0.00 C ATOM 897 C GLY A 79 11.944 7.796 -2.572 1.00 0.00 C ATOM 898 O GLY A 79 12.235 8.201 -1.445 1.00 0.00 O ATOM 0 H GLY A 79 12.775 6.648 -5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.662 8.790 -3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.270 8.750 -4.478 1.00 0.00 H new ATOM 902 N THR A 80 10.898 6.999 -2.799 1.00 0.00 N ATOM 903 CA THR A 80 9.950 6.540 -1.778 1.00 0.00 C ATOM 904 C THR A 80 9.850 5.006 -1.876 1.00 0.00 C ATOM 905 O THR A 80 10.189 4.442 -2.914 1.00 0.00 O ATOM 906 CB THR A 80 8.596 7.254 -1.985 1.00 0.00 C ATOM 907 OG1 THR A 80 8.771 8.667 -1.944 1.00 0.00 O ATOM 908 CG2 THR A 80 7.563 6.947 -0.894 1.00 0.00 C ATOM 0 H THR A 80 10.679 6.643 -3.729 1.00 0.00 H new ATOM 0 HA THR A 80 10.283 6.789 -0.770 1.00 0.00 H new ATOM 0 HB THR A 80 8.237 6.891 -2.948 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.906 9.108 -2.078 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.638 7.483 -1.107 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.364 5.876 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.951 7.263 0.074 1.00 0.00 H new ATOM 916 N ILE A 81 9.362 4.301 -0.853 1.00 0.00 N ATOM 917 CA ILE A 81 8.830 2.945 -0.984 1.00 0.00 C ATOM 918 C ILE A 81 7.876 2.704 0.191 1.00 0.00 C ATOM 919 O ILE A 81 8.040 3.298 1.267 1.00 0.00 O ATOM 920 CB ILE A 81 9.988 1.903 -1.017 1.00 0.00 C ATOM 921 CG1 ILE A 81 9.465 0.458 -1.194 1.00 0.00 C ATOM 922 CG2 ILE A 81 10.863 1.949 0.251 1.00 0.00 C ATOM 923 CD1 ILE A 81 10.518 -0.486 -1.789 1.00 0.00 C ATOM 0 H ILE A 81 9.325 4.661 0.101 1.00 0.00 H new ATOM 0 HA ILE A 81 8.286 2.831 -1.922 1.00 0.00 H new ATOM 0 HB ILE A 81 10.595 2.181 -1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.143 0.072 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.588 0.471 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.654 1.203 0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.307 2.939 0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.248 1.737 1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.095 -1.485 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.822 -0.120 -2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.386 -0.524 -1.131 1.00 0.00 H new ATOM 935 N ILE A 82 6.913 1.797 0.031 1.00 0.00 N ATOM 936 CA ILE A 82 6.078 1.298 1.114 1.00 0.00 C ATOM 937 C ILE A 82 5.991 -0.227 0.971 1.00 0.00 C ATOM 938 O ILE A 82 6.059 -0.749 -0.136 1.00 0.00 O ATOM 939 CB ILE A 82 4.696 2.004 1.079 1.00 0.00 C ATOM 940 CG1 ILE A 82 4.811 3.541 1.244 1.00 0.00 C ATOM 941 CG2 ILE A 82 3.767 1.429 2.166 1.00 0.00 C ATOM 942 CD1 ILE A 82 3.558 4.296 0.803 1.00 0.00 C ATOM 0 H ILE A 82 6.690 1.383 -0.874 1.00 0.00 H new ATOM 0 HA ILE A 82 6.503 1.522 2.093 1.00 0.00 H new ATOM 0 HB ILE A 82 4.269 1.811 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.016 3.772 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.663 3.898 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.803 1.936 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.623 0.362 1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.217 1.582 3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.709 5.366 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.364 4.095 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.706 3.967 1.398 1.00 0.00 H new ATOM 954 N PHE A 83 5.828 -0.938 2.089 1.00 0.00 N ATOM 955 CA PHE A 83 5.660 -2.383 2.193 1.00 0.00 C ATOM 956 C PHE A 83 4.365 -2.678 2.948 1.00 0.00 C ATOM 957 O PHE A 83 3.882 -1.841 3.727 1.00 0.00 O ATOM 958 CB PHE A 83 6.835 -3.033 2.948 1.00 0.00 C ATOM 959 CG PHE A 83 8.211 -2.884 2.331 1.00 0.00 C ATOM 960 CD1 PHE A 83 8.899 -1.661 2.429 1.00 0.00 C ATOM 961 CD2 PHE A 83 8.826 -3.976 1.693 1.00 0.00 C ATOM 962 CE1 PHE A 83 10.177 -1.521 1.870 1.00 0.00 C ATOM 963 CE2 PHE A 83 10.111 -3.838 1.143 1.00 0.00 C ATOM 964 CZ PHE A 83 10.782 -2.610 1.226 1.00 0.00 C ATOM 0 H PHE A 83 5.809 -0.487 3.004 1.00 0.00 H new ATOM 0 HA PHE A 83 5.627 -2.798 1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.866 -2.613 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.624 -4.097 3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.440 -0.826 2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.309 -4.922 1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.695 -0.576 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.582 -4.679 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.766 -2.502 0.794 1.00 0.00 H new ATOM 974 N PHE A 84 3.815 -3.880 2.780 1.00 0.00 N ATOM 975 CA PHE A 84 2.686 -4.377 3.561 1.00 0.00 C ATOM 976 C PHE A 84 2.582 -5.895 3.426 1.00 0.00 C ATOM 977 O PHE A 84 3.132 -6.476 2.490 1.00 0.00 O ATOM 978 CB PHE A 84 1.377 -3.706 3.108 1.00 0.00 C ATOM 979 CG PHE A 84 1.137 -3.787 1.609 1.00 0.00 C ATOM 980 CD1 PHE A 84 1.732 -2.881 0.708 1.00 0.00 C ATOM 981 CD2 PHE A 84 0.378 -4.853 1.104 1.00 0.00 C ATOM 982 CE1 PHE A 84 1.554 -3.047 -0.671 1.00 0.00 C ATOM 983 CE2 PHE A 84 0.183 -5.008 -0.276 1.00 0.00 C ATOM 984 CZ PHE A 84 0.769 -4.098 -1.167 1.00 0.00 C ATOM 0 H PHE A 84 4.149 -4.547 2.084 1.00 0.00 H new ATOM 0 HA PHE A 84 2.852 -4.129 4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.540 -4.174 3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.393 -2.658 3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.325 -2.059 1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.062 -5.564 1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.025 -2.360 -1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.416 -5.825 -0.651 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.617 -4.206 -2.231 1.00 0.00 H new ATOM 994 N LYS A 85 1.843 -6.529 4.340 1.00 0.00 N ATOM 995 CA LYS A 85 1.466 -7.935 4.250 1.00 0.00 C ATOM 996 C LYS A 85 0.186 -8.123 5.044 1.00 0.00 C ATOM 997 O LYS A 85 0.138 -7.646 6.183 1.00 0.00 O ATOM 998 CB LYS A 85 2.596 -8.801 4.825 1.00 0.00 C ATOM 999 CG LYS A 85 2.610 -10.238 4.280 1.00 0.00 C ATOM 1000 CD LYS A 85 2.291 -11.314 5.328 1.00 0.00 C ATOM 1001 CE LYS A 85 3.512 -12.149 5.718 1.00 0.00 C ATOM 1002 NZ LYS A 85 3.148 -13.316 6.551 1.00 0.00 N ATOM 0 H LYS A 85 1.485 -6.068 5.177 1.00 0.00 H new ATOM 0 HA LYS A 85 1.303 -8.233 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.553 -8.328 4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.500 -8.834 5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.887 -10.313 3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.592 -10.443 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.885 -10.836 6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.516 -11.974 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.018 -12.492 4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.219 -11.523 6.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.006 -13.852 6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.688 -12.989 7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.493 -13.928 6.024 1.00 0.00 H new ATOM 1016 N ALA A 86 -0.822 -8.778 4.468 1.00 0.00 N ATOM 1017 CA ALA A 86 -2.017 -9.178 5.195 1.00 0.00 C ATOM 1018 C ALA A 86 -1.777 -10.520 5.870 1.00 0.00 C ATOM 1019 O ALA A 86 -1.066 -11.368 5.328 1.00 0.00 O ATOM 1020 CB ALA A 86 -3.204 -9.305 4.238 1.00 0.00 C ATOM 0 H ALA A 86 -0.829 -9.044 3.483 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.241 -8.419 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.091 -9.605 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.386 -8.345 3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.981 -10.056 3.480 1.00 0.00 H new ATOM 1026 N GLU A 87 -2.454 -10.724 6.997 1.00 0.00 N ATOM 1027 CA GLU A 87 -2.487 -11.961 7.773 1.00 0.00 C ATOM 1028 C GLU A 87 -3.909 -12.551 7.823 1.00 0.00 C ATOM 1029 O GLU A 87 -4.104 -13.642 8.367 1.00 0.00 O ATOM 1030 CB GLU A 87 -1.941 -11.650 9.178 1.00 0.00 C ATOM 1031 CG GLU A 87 -0.403 -11.535 9.202 1.00 0.00 C ATOM 1032 CD GLU A 87 0.300 -12.746 9.823 1.00 0.00 C ATOM 1033 OE1 GLU A 87 -0.199 -13.889 9.707 1.00 0.00 O ATOM 1034 OE2 GLU A 87 1.366 -12.546 10.459 1.00 0.00 O ATOM 0 H GLU A 87 -3.026 -9.991 7.416 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.864 -12.721 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.377 -10.717 9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.254 -12.434 9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.042 -11.401 8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.124 -10.640 9.759 1.00 0.00 H new ATOM 1041 N GLY A 88 -4.900 -11.863 7.247 1.00 0.00 N ATOM 1042 CA GLY A 88 -6.282 -12.316 7.149 1.00 0.00 C ATOM 1043 C GLY A 88 -7.275 -11.213 7.483 1.00 0.00 C ATOM 1044 O GLY A 88 -8.349 -11.149 6.882 1.00 0.00 O ATOM 0 H GLY A 88 -4.753 -10.947 6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.472 -12.680 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.435 -13.157 7.825 1.00 0.00 H new ATOM 1048 N GLN A 89 -6.939 -10.369 8.462 1.00 0.00 N ATOM 1049 CA GLN A 89 -7.594 -9.103 8.762 1.00 0.00 C ATOM 1050 C GLN A 89 -6.494 -8.047 8.898 1.00 0.00 C ATOM 1051 O GLN A 89 -6.489 -6.998 8.276 1.00 0.00 O ATOM 1052 CB GLN A 89 -8.445 -9.147 10.051 1.00 0.00 C ATOM 1053 CG GLN A 89 -9.896 -9.624 9.869 1.00 0.00 C ATOM 1054 CD GLN A 89 -10.065 -11.124 10.078 1.00 0.00 C ATOM 1055 OE1 GLN A 89 -10.401 -11.580 11.173 1.00 0.00 O ATOM 1056 NE2 GLN A 89 -9.856 -11.915 9.049 1.00 0.00 N ATOM 0 H GLN A 89 -6.164 -10.564 9.096 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.289 -8.869 7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.952 -9.803 10.769 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.461 -8.149 10.490 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.538 -9.091 10.571 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.235 -9.363 8.866 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.578 -11.520 8.150 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.971 -12.923 9.149 1.00 0.00 H new ATOM 1065 N THR A 90 -5.595 -8.253 9.823 1.00 0.00 N ATOM 1066 CA THR A 90 -4.566 -7.290 10.127 1.00 0.00 C ATOM 1067 C THR A 90 -3.516 -7.263 9.024 1.00 0.00 C ATOM 1068 O THR A 90 -3.187 -8.283 8.414 1.00 0.00 O ATOM 1069 CB THR A 90 -4.022 -7.527 11.545 1.00 0.00 C ATOM 1070 OG1 THR A 90 -5.135 -7.576 12.421 1.00 0.00 O ATOM 1071 CG2 THR A 90 -3.057 -6.431 12.010 1.00 0.00 C ATOM 0 H THR A 90 -5.554 -9.099 10.392 1.00 0.00 H new ATOM 0 HA THR A 90 -4.979 -6.281 10.143 1.00 0.00 H new ATOM 0 HB THR A 90 -3.454 -8.457 11.546 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.823 -7.728 13.338 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.709 -6.657 13.018 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.204 -6.386 11.333 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.571 -5.470 12.010 1.00 0.00 H new ATOM 1079 N VAL A 91 -3.029 -6.053 8.760 1.00 0.00 N ATOM 1080 CA VAL A 91 -2.101 -5.724 7.701 1.00 0.00 C ATOM 1081 C VAL A 91 -1.031 -4.852 8.339 1.00 0.00 C ATOM 1082 O VAL A 91 -1.309 -3.763 8.855 1.00 0.00 O ATOM 1083 CB VAL A 91 -2.848 -5.005 6.570 1.00 0.00 C ATOM 1084 CG1 VAL A 91 -1.902 -4.485 5.474 1.00 0.00 C ATOM 1085 CG2 VAL A 91 -3.893 -5.912 5.916 1.00 0.00 C ATOM 0 H VAL A 91 -3.290 -5.237 9.314 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.641 -6.605 7.252 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.340 -4.155 7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.483 -3.985 4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.194 -3.779 5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.358 -5.322 5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.401 -5.367 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.402 -6.791 5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.622 -6.225 6.663 1.00 0.00 H new ATOM 1095 N ILE A 92 0.193 -5.359 8.350 1.00 0.00 N ATOM 1096 CA ILE A 92 1.359 -4.700 8.884 1.00 0.00 C ATOM 1097 C ILE A 92 1.872 -3.800 7.770 1.00 0.00 C ATOM 1098 O ILE A 92 2.606 -4.230 6.886 1.00 0.00 O ATOM 1099 CB ILE A 92 2.348 -5.778 9.347 1.00 0.00 C ATOM 1100 CG1 ILE A 92 1.774 -6.541 10.566 1.00 0.00 C ATOM 1101 CG2 ILE A 92 3.719 -5.221 9.759 1.00 0.00 C ATOM 1102 CD1 ILE A 92 0.755 -7.646 10.271 1.00 0.00 C ATOM 0 H ILE A 92 0.402 -6.282 7.968 1.00 0.00 H new ATOM 0 HA ILE A 92 1.170 -4.079 9.760 1.00 0.00 H new ATOM 0 HB ILE A 92 2.488 -6.432 8.486 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.607 -6.984 11.113 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.306 -5.816 11.231 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.365 -6.040 10.074 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.173 -4.707 8.912 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.594 -4.520 10.584 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.431 -8.102 11.207 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.107 -7.219 9.758 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.214 -8.405 9.638 1.00 0.00 H new ATOM 1114 N ILE A 93 1.455 -2.541 7.806 1.00 0.00 N ATOM 1115 CA ILE A 93 1.978 -1.502 6.935 1.00 0.00 C ATOM 1116 C ILE A 93 3.396 -1.230 7.436 1.00 0.00 C ATOM 1117 O ILE A 93 3.596 -0.987 8.634 1.00 0.00 O ATOM 1118 CB ILE A 93 1.123 -0.206 6.950 1.00 0.00 C ATOM 1119 CG1 ILE A 93 -0.413 -0.440 6.947 1.00 0.00 C ATOM 1120 CG2 ILE A 93 1.547 0.632 5.728 1.00 0.00 C ATOM 1121 CD1 ILE A 93 -1.246 0.831 6.730 1.00 0.00 C ATOM 0 H ILE A 93 0.735 -2.211 8.449 1.00 0.00 H new ATOM 0 HA ILE A 93 1.959 -1.832 5.896 1.00 0.00 H new ATOM 0 HB ILE A 93 1.313 0.310 7.891 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.658 -1.158 6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.702 -0.892 7.896 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.968 1.555 5.701 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.608 0.871 5.801 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.366 0.063 4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.306 0.578 6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.034 1.545 7.526 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.990 1.274 5.768 1.00 0.00 H new ATOM 1133 N LYS A 94 4.383 -1.268 6.545 1.00 0.00 N ATOM 1134 CA LYS A 94 5.769 -0.950 6.856 1.00 0.00 C ATOM 1135 C LYS A 94 6.262 0.065 5.838 1.00 0.00 C ATOM 1136 O LYS A 94 6.425 -0.271 4.678 1.00 0.00 O ATOM 1137 CB LYS A 94 6.604 -2.238 6.852 1.00 0.00 C ATOM 1138 CG LYS A 94 6.654 -2.892 8.233 1.00 0.00 C ATOM 1139 CD LYS A 94 7.478 -4.179 8.196 1.00 0.00 C ATOM 1140 CE LYS A 94 7.515 -4.782 9.598 1.00 0.00 C ATOM 1141 NZ LYS A 94 8.615 -5.749 9.742 1.00 0.00 N ATOM 0 H LYS A 94 4.237 -1.526 5.569 1.00 0.00 H new ATOM 0 HA LYS A 94 5.863 -0.513 7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.183 -2.941 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.618 -2.012 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.088 -2.198 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.642 -3.113 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.040 -4.887 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.490 -3.969 7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.630 -3.986 10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.566 -5.275 9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.439 -6.354 10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.672 -6.339 8.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.512 -5.238 9.871 1.00 0.00 H new ATOM 1155 N TYR A 95 6.463 1.319 6.224 1.00 0.00 N ATOM 1156 CA TYR A 95 6.772 2.416 5.303 1.00 0.00 C ATOM 1157 C TYR A 95 7.997 3.172 5.790 1.00 0.00 C ATOM 1158 O TYR A 95 8.454 2.950 6.912 1.00 0.00 O ATOM 1159 CB TYR A 95 5.564 3.349 5.186 1.00 0.00 C ATOM 1160 CG TYR A 95 5.004 3.795 6.519 1.00 0.00 C ATOM 1161 CD1 TYR A 95 4.108 2.948 7.190 1.00 0.00 C ATOM 1162 CD2 TYR A 95 5.402 5.006 7.109 1.00 0.00 C ATOM 1163 CE1 TYR A 95 3.586 3.312 8.436 1.00 0.00 C ATOM 1164 CE2 TYR A 95 4.875 5.388 8.357 1.00 0.00 C ATOM 1165 CZ TYR A 95 3.940 4.552 9.014 1.00 0.00 C ATOM 1166 OH TYR A 95 3.419 4.881 10.227 1.00 0.00 O ATOM 0 H TYR A 95 6.416 1.611 7.200 1.00 0.00 H new ATOM 0 HA TYR A 95 6.991 2.010 4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.851 4.229 4.611 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.779 2.843 4.624 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.820 2.009 6.741 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.113 5.644 6.605 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.913 2.646 8.956 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.183 6.317 8.813 1.00 0.00 H new ATOM 0 HH TYR A 95 3.753 5.762 10.498 1.00 0.00 H new ATOM 1176 N THR A 96 8.535 4.039 4.940 1.00 0.00 N ATOM 1177 CA THR A 96 9.742 4.799 5.196 1.00 0.00 C ATOM 1178 C THR A 96 9.706 6.082 4.354 1.00 0.00 C ATOM 1179 O THR A 96 8.860 6.215 3.461 1.00 0.00 O ATOM 1180 CB THR A 96 10.950 3.893 4.892 1.00 0.00 C ATOM 1181 OG1 THR A 96 12.134 4.558 5.235 1.00 0.00 O ATOM 1182 CG2 THR A 96 11.039 3.420 3.436 1.00 0.00 C ATOM 0 H THR A 96 8.126 4.235 4.026 1.00 0.00 H new ATOM 0 HA THR A 96 9.823 5.111 6.237 1.00 0.00 H new ATOM 0 HB THR A 96 10.808 2.996 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.840 4.318 4.599 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.918 2.788 3.312 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.144 2.851 3.183 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.118 4.284 2.777 1.00 0.00 H new ATOM 1190 N SER A 97 10.632 7.006 4.619 1.00 0.00 N ATOM 1191 CA SER A 97 10.977 8.088 3.707 1.00 0.00 C ATOM 1192 C SER A 97 12.246 7.778 2.909 1.00 0.00 C ATOM 1193 O SER A 97 12.513 8.423 1.899 1.00 0.00 O ATOM 1194 CB SER A 97 11.095 9.402 4.490 1.00 0.00 C ATOM 1195 OG SER A 97 11.944 9.265 5.627 1.00 0.00 O ATOM 0 H SER A 97 11.168 7.020 5.487 1.00 0.00 H new ATOM 0 HA SER A 97 10.178 8.194 2.973 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.486 10.181 3.836 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.105 9.724 4.812 1.00 0.00 H new ATOM 0 HG SER A 97 11.997 10.121 6.101 1.00 0.00 H new ATOM 1201 N GLN A 98 13.008 6.765 3.322 1.00 0.00 N ATOM 1202 CA GLN A 98 14.284 6.397 2.720 1.00 0.00 C ATOM 1203 C GLN A 98 14.390 4.892 2.509 1.00 0.00 C ATOM 1204 O GLN A 98 14.241 4.110 3.455 1.00 0.00 O ATOM 1205 CB GLN A 98 15.443 6.921 3.574 1.00 0.00 C ATOM 1206 CG GLN A 98 15.993 8.227 3.001 1.00 0.00 C ATOM 1207 CD GLN A 98 16.766 7.999 1.707 1.00 0.00 C ATOM 1208 OE1 GLN A 98 17.707 7.214 1.680 1.00 0.00 O ATOM 1209 NE2 GLN A 98 16.381 8.610 0.602 1.00 0.00 N ATOM 0 H GLN A 98 12.746 6.165 4.104 1.00 0.00 H new ATOM 0 HA GLN A 98 14.342 6.862 1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.103 7.082 4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.236 6.175 3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 98 15.170 8.917 2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.646 8.699 3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.598 9.263 0.627 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.867 8.429 -0.276 1.00 0.00 H new ATOM 1218 N ARG A 99 14.705 4.503 1.271 1.00 0.00 N ATOM 1219 CA ARG A 99 14.742 3.128 0.769 1.00 0.00 C ATOM 1220 C ARG A 99 15.670 2.236 1.578 1.00 0.00 C ATOM 1221 O ARG A 99 15.406 1.050 1.725 1.00 0.00 O ATOM 1222 CB ARG A 99 15.122 3.144 -0.721 1.00 0.00 C ATOM 1223 CG ARG A 99 15.151 1.727 -1.314 1.00 0.00 C ATOM 1224 CD ARG A 99 15.051 1.808 -2.831 1.00 0.00 C ATOM 1225 NE ARG A 99 15.102 0.476 -3.443 1.00 0.00 N ATOM 1226 CZ ARG A 99 16.156 -0.148 -3.974 1.00 0.00 C ATOM 1227 NH1 ARG A 99 17.355 0.417 -4.045 1.00 0.00 N ATOM 1228 NH2 ARG A 99 16.016 -1.364 -4.471 1.00 0.00 N ATOM 0 H ARG A 99 14.956 5.180 0.550 1.00 0.00 H new ATOM 0 HA ARG A 99 13.748 2.695 0.881 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.407 3.755 -1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 99 16.100 3.610 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 99 16.072 1.220 -1.026 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.325 1.138 -0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.121 2.303 -3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.866 2.420 -3.219 1.00 0.00 H new ATOM 0 HE ARG A 99 14.221 -0.038 -3.466 1.00 0.00 H new ATOM 0 HH11 ARG A 99 17.496 1.361 -3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 99 18.136 -0.093 -4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.105 -1.823 -4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.819 -1.844 -4.878 1.00 0.00 H new ATOM 1242 N ASN A 100 16.721 2.809 2.143 1.00 0.00 N ATOM 1243 CA ASN A 100 17.719 2.110 2.942 1.00 0.00 C ATOM 1244 C ASN A 100 17.705 2.644 4.376 1.00 0.00 C ATOM 1245 O ASN A 100 18.738 3.002 4.947 1.00 0.00 O ATOM 1246 CB ASN A 100 19.072 2.070 2.213 1.00 0.00 C ATOM 1247 CG ASN A 100 19.521 3.428 1.720 1.00 0.00 C ATOM 1248 OD1 ASN A 100 19.703 3.639 0.524 1.00 0.00 O ATOM 1249 ND2 ASN A 100 19.596 4.375 2.626 1.00 0.00 N ATOM 0 H ASN A 100 16.910 3.807 2.056 1.00 0.00 H new ATOM 0 HA ASN A 100 17.474 1.054 3.054 1.00 0.00 H new ATOM 0 HB2 ASN A 100 19.829 1.666 2.886 1.00 0.00 H new ATOM 0 HB3 ASN A 100 19.002 1.388 1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 100 19.813 5.332 2.347 1.00 0.00 H new ATOM 0 HD22 ASN A 100 19.437 4.154 3.609 1.00 0.00 H new ATOM 1256 N THR A 101 16.512 2.704 4.974 1.00 0.00 N ATOM 1257 CA THR A 101 16.321 2.865 6.414 1.00 0.00 C ATOM 1258 C THR A 101 15.228 1.886 6.874 1.00 0.00 C ATOM 1259 O THR A 101 14.405 1.458 6.059 1.00 0.00 O ATOM 1260 CB THR A 101 15.967 4.324 6.759 1.00 0.00 C ATOM 1261 OG1 THR A 101 14.792 4.721 6.100 1.00 0.00 O ATOM 1262 CG2 THR A 101 17.043 5.347 6.391 1.00 0.00 C ATOM 0 H THR A 101 15.635 2.640 4.458 1.00 0.00 H new ATOM 0 HA THR A 101 17.247 2.636 6.942 1.00 0.00 H new ATOM 0 HB THR A 101 15.855 4.319 7.843 1.00 0.00 H new ATOM 0 HG1 THR A 101 14.788 4.357 5.190 1.00 0.00 H new ATOM 0 HG21 THR A 101 16.707 6.345 6.670 1.00 0.00 H new ATOM 0 HG22 THR A 101 17.965 5.113 6.923 1.00 0.00 H new ATOM 0 HG23 THR A 101 17.225 5.313 5.317 1.00 0.00 H new ATOM 1270 N LYS A 102 15.198 1.505 8.155 1.00 0.00 N ATOM 1271 CA LYS A 102 14.189 0.586 8.692 1.00 0.00 C ATOM 1272 C LYS A 102 12.781 1.189 8.591 1.00 0.00 C ATOM 1273 O LYS A 102 12.615 2.410 8.651 1.00 0.00 O ATOM 1274 CB LYS A 102 14.568 0.194 10.131 1.00 0.00 C ATOM 1275 CG LYS A 102 13.765 -1.018 10.644 1.00 0.00 C ATOM 1276 CD LYS A 102 12.839 -0.680 11.816 1.00 0.00 C ATOM 1277 CE LYS A 102 11.758 -1.747 12.034 1.00 0.00 C ATOM 1278 NZ LYS A 102 12.314 -3.103 12.235 1.00 0.00 N ATOM 0 H LYS A 102 15.873 1.825 8.849 1.00 0.00 H new ATOM 0 HA LYS A 102 14.169 -0.324 8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.633 -0.036 10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.399 1.044 10.792 1.00 0.00 H new ATOM 0 HG2 LYS A 102 13.170 -1.424 9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.459 -1.800 10.952 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.431 -0.576 12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.363 0.283 11.633 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.157 -1.475 12.902 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.089 -1.759 11.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.546 -3.761 12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.779 -3.421 11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.009 -3.082 13.009 1.00 0.00 H new ATOM 1292 N LEU A 103 11.770 0.335 8.426 1.00 0.00 N ATOM 1293 CA LEU A 103 10.377 0.718 8.209 1.00 0.00 C ATOM 1294 C LEU A 103 9.673 0.999 9.538 1.00 0.00 C ATOM 1295 O LEU A 103 10.042 0.435 10.566 1.00 0.00 O ATOM 1296 CB LEU A 103 9.637 -0.424 7.477 1.00 0.00 C ATOM 1297 CG LEU A 103 10.148 -0.834 6.073 1.00 0.00 C ATOM 1298 CD1 LEU A 103 10.605 0.335 5.203 1.00 0.00 C ATOM 1299 CD2 LEU A 103 11.242 -1.900 6.145 1.00 0.00 C ATOM 0 H LEU A 103 11.904 -0.676 8.440 1.00 0.00 H new ATOM 0 HA LEU A 103 10.361 1.626 7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.669 -1.307 8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.590 -0.137 7.381 1.00 0.00 H new ATOM 0 HG LEU A 103 9.273 -1.260 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.947 -0.041 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.773 1.022 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 103 11.422 0.859 5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.568 -2.155 5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.088 -1.515 6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.850 -2.791 6.636 1.00 0.00 H new ATOM 1311 N LYS A 104 8.626 1.828 9.504 1.00 0.00 N ATOM 1312 CA LYS A 104 7.715 2.102 10.612 1.00 0.00 C ATOM 1313 C LYS A 104 6.814 0.903 10.892 1.00 0.00 C ATOM 1314 O LYS A 104 6.694 0.002 10.062 1.00 0.00 O ATOM 1315 CB LYS A 104 6.826 3.304 10.231 1.00 0.00 C ATOM 1316 CG LYS A 104 7.385 4.668 10.643 1.00 0.00 C ATOM 1317 CD LYS A 104 8.652 5.024 9.884 1.00 0.00 C ATOM 1318 CE LYS A 104 9.116 6.424 10.290 1.00 0.00 C ATOM 1319 NZ LYS A 104 10.469 6.724 9.789 1.00 0.00 N ATOM 0 H LYS A 104 8.381 2.349 8.662 1.00 0.00 H new ATOM 0 HA LYS A 104 8.304 2.313 11.504 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.675 3.299 9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.846 3.174 10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.631 5.435 10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.594 4.665 11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.433 4.295 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.467 4.988 8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.415 7.164 9.905 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.105 6.509 11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.745 7.682 10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.144 6.034 10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.475 6.669 8.750 1.00 0.00 H new ATOM 1333 N ALA A 105 6.074 0.987 11.998 1.00 0.00 N ATOM 1334 CA ALA A 105 4.964 0.114 12.338 1.00 0.00 C ATOM 1335 C ALA A 105 3.678 0.945 12.356 1.00 0.00 C ATOM 1336 O ALA A 105 3.550 1.861 13.168 1.00 0.00 O ATOM 1337 CB ALA A 105 5.222 -0.543 13.701 1.00 0.00 C ATOM 0 H ALA A 105 6.244 1.699 12.709 1.00 0.00 H new ATOM 0 HA ALA A 105 4.861 -0.681 11.599 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.388 -1.197 13.953 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.141 -1.128 13.655 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.321 0.229 14.464 1.00 0.00 H new ATOM 1343 N LYS A 106 2.719 0.642 11.482 1.00 0.00 N ATOM 1344 CA LYS A 106 1.299 0.957 11.666 1.00 0.00 C ATOM 1345 C LYS A 106 0.576 -0.335 11.274 1.00 0.00 C ATOM 1346 O LYS A 106 0.813 -0.841 10.175 1.00 0.00 O ATOM 1347 CB LYS A 106 0.897 2.224 10.868 1.00 0.00 C ATOM 1348 CG LYS A 106 -0.051 3.211 11.589 1.00 0.00 C ATOM 1349 CD LYS A 106 -1.389 3.410 10.867 1.00 0.00 C ATOM 1350 CE LYS A 106 -1.343 4.368 9.660 1.00 0.00 C ATOM 1351 NZ LYS A 106 -1.483 5.792 10.042 1.00 0.00 N ATOM 0 H LYS A 106 2.911 0.159 10.604 1.00 0.00 H new ATOM 0 HA LYS A 106 1.029 1.231 12.686 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.806 2.760 10.594 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.421 1.908 9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.242 2.847 12.599 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.447 4.176 11.687 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -1.749 2.439 10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -2.118 3.788 11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.400 4.231 9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.140 4.105 8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.444 6.386 9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -2.394 5.935 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.709 6.057 10.684 1.00 0.00 H new ATOM 1365 N ALA A 107 -0.118 -0.999 12.193 1.00 0.00 N ATOM 1366 CA ALA A 107 -0.730 -2.316 11.996 1.00 0.00 C ATOM 1367 C ALA A 107 -2.216 -2.108 12.254 1.00 0.00 C ATOM 1368 O ALA A 107 -2.567 -1.600 13.318 1.00 0.00 O ATOM 1369 CB ALA A 107 -0.118 -3.364 12.936 1.00 0.00 C ATOM 0 H ALA A 107 -0.277 -0.625 13.129 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.555 -2.702 10.992 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.594 -4.329 12.764 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.951 -3.447 12.741 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.276 -3.061 13.971 1.00 0.00 H new ATOM 1375 N LEU A 108 -3.061 -2.428 11.275 1.00 0.00 N ATOM 1376 CA LEU A 108 -4.478 -2.071 11.253 1.00 0.00 C ATOM 1377 C LEU A 108 -5.275 -3.267 10.743 1.00 0.00 C ATOM 1378 O LEU A 108 -4.779 -3.992 9.875 1.00 0.00 O ATOM 1379 CB LEU A 108 -4.681 -0.903 10.281 1.00 0.00 C ATOM 1380 CG LEU A 108 -4.034 0.439 10.668 1.00 0.00 C ATOM 1381 CD1 LEU A 108 -3.918 1.308 9.414 1.00 0.00 C ATOM 1382 CD2 LEU A 108 -4.814 1.181 11.752 1.00 0.00 C ATOM 0 H LEU A 108 -2.770 -2.957 10.453 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.808 -1.791 12.253 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.292 -1.200 9.307 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.752 -0.742 10.161 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.049 0.230 11.084 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.461 2.263 9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.300 0.799 8.675 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.911 1.482 8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.311 2.120 11.984 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.823 1.388 11.397 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.865 0.565 12.650 1.00 0.00 H new ATOM 1394 N THR A 109 -6.493 -3.479 11.249 1.00 0.00 N ATOM 1395 CA THR A 109 -7.377 -4.530 10.755 1.00 0.00 C ATOM 1396 C THR A 109 -8.024 -4.116 9.434 1.00 0.00 C ATOM 1397 O THR A 109 -8.339 -2.942 9.237 1.00 0.00 O ATOM 1398 CB THR A 109 -8.444 -4.870 11.813 1.00 0.00 C ATOM 1399 OG1 THR A 109 -9.081 -3.722 12.340 1.00 0.00 O ATOM 1400 CG2 THR A 109 -7.813 -5.644 12.968 1.00 0.00 C ATOM 0 H THR A 109 -6.890 -2.927 12.010 1.00 0.00 H new ATOM 0 HA THR A 109 -6.784 -5.425 10.568 1.00 0.00 H new ATOM 0 HB THR A 109 -9.197 -5.473 11.305 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.748 -3.994 13.004 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.577 -5.878 13.709 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.377 -6.569 12.591 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.034 -5.038 13.430 1.00 0.00 H new ATOM 1408 N LEU A 110 -8.360 -5.097 8.588 1.00 0.00 N ATOM 1409 CA LEU A 110 -9.075 -4.888 7.330 1.00 0.00 C ATOM 1410 C LEU A 110 -10.330 -4.054 7.553 1.00 0.00 C ATOM 1411 O LEU A 110 -10.686 -3.181 6.764 1.00 0.00 O ATOM 1412 CB LEU A 110 -9.544 -6.244 6.779 1.00 0.00 C ATOM 1413 CG LEU A 110 -8.571 -7.080 5.939 1.00 0.00 C ATOM 1414 CD1 LEU A 110 -9.353 -8.261 5.367 1.00 0.00 C ATOM 1415 CD2 LEU A 110 -7.893 -6.306 4.830 1.00 0.00 C ATOM 0 H LEU A 110 -8.137 -6.076 8.765 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.397 -4.382 6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.855 -6.854 7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.432 -6.064 6.173 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.760 -7.409 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.689 -8.878 4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.760 -8.858 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.169 -7.891 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.221 -6.967 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.647 -5.910 4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.322 -5.482 5.258 1.00 0.00 H new ATOM 1427 N SER A 111 -11.024 -4.379 8.641 1.00 0.00 N ATOM 1428 CA SER A 111 -12.282 -3.788 9.030 1.00 0.00 C ATOM 1429 C SER A 111 -12.166 -2.270 9.184 1.00 0.00 C ATOM 1430 O SER A 111 -13.116 -1.560 8.848 1.00 0.00 O ATOM 1431 CB SER A 111 -12.699 -4.460 10.340 1.00 0.00 C ATOM 1432 OG SER A 111 -14.086 -4.671 10.333 1.00 0.00 O ATOM 0 H SER A 111 -10.704 -5.092 9.296 1.00 0.00 H new ATOM 0 HA SER A 111 -13.037 -3.949 8.261 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.176 -5.409 10.458 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.419 -3.835 11.188 1.00 0.00 H new ATOM 0 HG SER A 111 -14.355 -5.103 11.170 1.00 0.00 H new ATOM 1438 N GLN A 112 -11.014 -1.803 9.677 1.00 0.00 N ATOM 1439 CA GLN A 112 -10.634 -0.418 9.808 1.00 0.00 C ATOM 1440 C GLN A 112 -10.563 0.229 8.424 1.00 0.00 C ATOM 1441 O GLN A 112 -11.421 1.048 8.103 1.00 0.00 O ATOM 1442 CB GLN A 112 -9.309 -0.362 10.597 1.00 0.00 C ATOM 1443 CG GLN A 112 -9.344 0.695 11.684 1.00 0.00 C ATOM 1444 CD GLN A 112 -9.372 2.100 11.099 1.00 0.00 C ATOM 1445 OE1 GLN A 112 -8.337 2.623 10.704 1.00 0.00 O ATOM 1446 NE2 GLN A 112 -10.517 2.753 11.034 1.00 0.00 N ATOM 0 H GLN A 112 -10.286 -2.433 10.013 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.372 0.159 10.365 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.111 -1.336 11.044 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -8.487 -0.152 9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.223 0.544 12.311 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.471 0.585 12.327 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -11.375 2.312 11.365 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -10.544 3.699 10.653 1.00 0.00 H new ATOM 1455 N LEU A 113 -9.596 -0.170 7.592 1.00 0.00 N ATOM 1456 CA LEU A 113 -9.304 0.449 6.294 1.00 0.00 C ATOM 1457 C LEU A 113 -10.534 0.450 5.392 1.00 0.00 C ATOM 1458 O LEU A 113 -10.783 1.407 4.662 1.00 0.00 O ATOM 1459 CB LEU A 113 -8.186 -0.319 5.569 1.00 0.00 C ATOM 1460 CG LEU A 113 -6.742 -0.078 6.034 1.00 0.00 C ATOM 1461 CD1 LEU A 113 -6.244 1.335 5.731 1.00 0.00 C ATOM 1462 CD2 LEU A 113 -6.548 -0.344 7.520 1.00 0.00 C ATOM 0 H LEU A 113 -8.978 -0.953 7.808 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.994 1.475 6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -8.396 -1.385 5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -8.243 -0.074 4.508 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.154 -0.794 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.218 1.443 6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.278 1.510 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -6.880 2.061 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.509 -0.157 7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -7.197 0.316 8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.799 -1.382 7.740 1.00 0.00 H new ATOM 1474 N LYS A 114 -11.320 -0.624 5.439 1.00 0.00 N ATOM 1475 CA LYS A 114 -12.559 -0.730 4.688 1.00 0.00 C ATOM 1476 C LYS A 114 -13.561 0.361 5.071 1.00 0.00 C ATOM 1477 O LYS A 114 -14.384 0.749 4.237 1.00 0.00 O ATOM 1478 CB LYS A 114 -13.127 -2.121 4.963 1.00 0.00 C ATOM 1479 CG LYS A 114 -14.500 -2.310 4.327 1.00 0.00 C ATOM 1480 CD LYS A 114 -15.103 -3.622 4.806 1.00 0.00 C ATOM 1481 CE LYS A 114 -16.358 -3.942 4.005 1.00 0.00 C ATOM 1482 NZ LYS A 114 -17.473 -3.027 4.326 1.00 0.00 N ATOM 0 H LYS A 114 -11.110 -1.447 6.004 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.364 -0.590 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.441 -2.876 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -13.201 -2.277 6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -15.153 -1.479 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -14.412 -2.313 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -14.376 -4.427 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -15.346 -3.554 5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -16.133 -3.879 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -16.663 -4.969 4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -18.306 -3.282 3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -17.706 -3.105 5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -17.193 -2.049 4.110 1.00 0.00 H new ATOM 1496 N LYS A 115 -13.609 0.795 6.329 1.00 0.00 N ATOM 1497 CA LYS A 115 -14.442 1.908 6.712 1.00 0.00 C ATOM 1498 C LYS A 115 -13.856 3.167 6.100 1.00 0.00 C ATOM 1499 O LYS A 115 -14.502 3.760 5.239 1.00 0.00 O ATOM 1500 CB LYS A 115 -14.545 1.918 8.236 1.00 0.00 C ATOM 1501 CG LYS A 115 -15.925 2.306 8.751 1.00 0.00 C ATOM 1502 CD LYS A 115 -17.115 1.456 8.261 1.00 0.00 C ATOM 1503 CE LYS A 115 -16.986 -0.013 8.701 1.00 0.00 C ATOM 1504 NZ LYS A 115 -18.147 -0.444 9.512 1.00 0.00 N ATOM 0 H LYS A 115 -13.075 0.384 7.095 1.00 0.00 H new ATOM 0 HA LYS A 115 -15.463 1.835 6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -14.290 0.929 8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.808 2.613 8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.905 2.266 9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.112 3.343 8.474 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -18.044 1.872 8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -17.175 1.506 7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -16.900 -0.650 7.821 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -16.071 -0.141 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -18.026 -1.439 9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -18.214 0.149 10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.018 -0.345 8.952 1.00 0.00 H new ATOM 1518 N GLU A 116 -12.606 3.461 6.446 1.00 0.00 N ATOM 1519 CA GLU A 116 -11.850 4.654 6.076 1.00 0.00 C ATOM 1520 C GLU A 116 -12.011 4.950 4.584 1.00 0.00 C ATOM 1521 O GLU A 116 -12.488 6.019 4.200 1.00 0.00 O ATOM 1522 CB GLU A 116 -10.358 4.464 6.415 1.00 0.00 C ATOM 1523 CG GLU A 116 -10.046 4.002 7.840 1.00 0.00 C ATOM 1524 CD GLU A 116 -9.769 5.116 8.836 1.00 0.00 C ATOM 1525 OE1 GLU A 116 -8.621 5.621 8.829 1.00 0.00 O ATOM 1526 OE2 GLU A 116 -10.630 5.377 9.713 1.00 0.00 O ATOM 0 H GLU A 116 -12.058 2.830 7.031 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.240 5.499 6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.938 3.738 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.843 5.409 6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.886 3.411 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.180 3.341 7.809 1.00 0.00 H new ATOM 1533 N PHE A 117 -11.651 3.971 3.752 1.00 0.00 N ATOM 1534 CA PHE A 117 -11.405 4.133 2.337 1.00 0.00 C ATOM 1535 C PHE A 117 -12.326 3.266 1.487 1.00 0.00 C ATOM 1536 O PHE A 117 -12.047 3.093 0.304 1.00 0.00 O ATOM 1537 CB PHE A 117 -9.940 3.820 2.022 1.00 0.00 C ATOM 1538 CG PHE A 117 -8.925 4.551 2.869 1.00 0.00 C ATOM 1539 CD1 PHE A 117 -8.926 5.957 2.907 1.00 0.00 C ATOM 1540 CD2 PHE A 117 -7.963 3.826 3.597 1.00 0.00 C ATOM 1541 CE1 PHE A 117 -7.964 6.637 3.667 1.00 0.00 C ATOM 1542 CE2 PHE A 117 -7.000 4.516 4.351 1.00 0.00 C ATOM 1543 CZ PHE A 117 -6.998 5.920 4.386 1.00 0.00 C ATOM 0 H PHE A 117 -11.521 3.010 4.068 1.00 0.00 H new ATOM 0 HA PHE A 117 -11.619 5.171 2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.782 2.748 2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.752 4.057 0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.667 6.512 2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.965 2.746 3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.967 7.717 3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.257 3.964 4.907 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.254 6.446 4.966 1.00 0.00 H new ATOM 1553 N TYR A 118 -13.394 2.673 2.043 1.00 0.00 N ATOM 1554 CA TYR A 118 -14.260 1.823 1.229 1.00 0.00 C ATOM 1555 C TYR A 118 -15.732 1.841 1.650 1.00 0.00 C ATOM 1556 O TYR A 118 -16.456 0.857 1.482 1.00 0.00 O ATOM 1557 CB TYR A 118 -13.640 0.426 1.101 1.00 0.00 C ATOM 1558 CG TYR A 118 -14.011 -0.243 -0.205 1.00 0.00 C ATOM 1559 CD1 TYR A 118 -13.433 0.169 -1.432 1.00 0.00 C ATOM 1560 CD2 TYR A 118 -14.955 -1.279 -0.176 1.00 0.00 C ATOM 1561 CE1 TYR A 118 -13.695 -0.557 -2.619 1.00 0.00 C ATOM 1562 CE2 TYR A 118 -15.297 -1.935 -1.358 1.00 0.00 C ATOM 1563 CZ TYR A 118 -14.644 -1.620 -2.565 1.00 0.00 C ATOM 1564 OH TYR A 118 -15.052 -2.323 -3.652 1.00 0.00 O ATOM 0 H TYR A 118 -13.668 2.764 3.021 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.308 2.248 0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.555 0.503 1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.971 -0.195 1.933 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.792 1.038 -1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -15.415 -1.568 0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -13.189 -0.312 -3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -16.069 -2.691 -1.348 1.00 0.00 H new ATOM 0 HH TYR A 118 -15.703 -3.002 -3.377 1.00 0.00 H new ATOM 1574 N GLN A 119 -16.205 2.946 2.236 1.00 0.00 N ATOM 1575 CA GLN A 119 -17.596 3.061 2.663 1.00 0.00 C ATOM 1576 C GLN A 119 -18.557 3.122 1.471 1.00 0.00 C ATOM 1577 O GLN A 119 -19.420 2.260 1.304 1.00 0.00 O ATOM 1578 CB GLN A 119 -17.764 4.185 3.699 1.00 0.00 C ATOM 1579 CG GLN A 119 -17.708 5.676 3.336 1.00 0.00 C ATOM 1580 CD GLN A 119 -16.339 6.283 3.004 1.00 0.00 C ATOM 1581 OE1 GLN A 119 -16.291 7.374 2.449 1.00 0.00 O ATOM 1582 NE2 GLN A 119 -15.212 5.643 3.282 1.00 0.00 N ATOM 0 H GLN A 119 -15.640 3.774 2.424 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.882 2.148 3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -18.728 4.020 4.180 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.998 4.023 4.457 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -18.362 5.836 2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -18.130 6.239 4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -15.242 4.734 3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -14.315 6.059 3.034 1.00 0.00 H new ATOM 1591 N THR A 120 -18.382 4.134 0.632 1.00 0.00 N ATOM 1592 CA THR A 120 -19.343 4.576 -0.365 1.00 0.00 C ATOM 1593 C THR A 120 -18.959 4.021 -1.741 1.00 0.00 C ATOM 1594 O THR A 120 -17.842 3.542 -1.947 1.00 0.00 O ATOM 1595 CB THR A 120 -19.408 6.110 -0.267 1.00 0.00 C ATOM 1596 OG1 THR A 120 -20.379 6.680 -1.110 1.00 0.00 O ATOM 1597 CG2 THR A 120 -18.040 6.751 -0.524 1.00 0.00 C ATOM 0 H THR A 120 -17.529 4.693 0.629 1.00 0.00 H new ATOM 0 HA THR A 120 -20.349 4.193 -0.193 1.00 0.00 H new ATOM 0 HB THR A 120 -19.710 6.324 0.758 1.00 0.00 H new ATOM 0 HG1 THR A 120 -20.374 7.654 -1.003 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.126 7.835 -0.446 1.00 0.00 H new ATOM 0 HG22 THR A 120 -17.324 6.390 0.215 1.00 0.00 H new ATOM 0 HG23 THR A 120 -17.696 6.485 -1.523 1.00 0.00 H new ATOM 1605 N ARG A 121 -19.895 4.046 -2.688 1.00 0.00 N ATOM 1606 CA ARG A 121 -19.796 3.327 -3.958 1.00 0.00 C ATOM 1607 C ARG A 121 -18.940 4.028 -4.994 1.00 0.00 C ATOM 1608 O ARG A 121 -18.194 3.347 -5.687 1.00 0.00 O ATOM 1609 CB ARG A 121 -21.207 3.084 -4.486 1.00 0.00 C ATOM 1610 CG ARG A 121 -21.744 1.831 -3.793 1.00 0.00 C ATOM 1611 CD ARG A 121 -23.258 1.740 -3.875 1.00 0.00 C ATOM 1612 NE ARG A 121 -23.724 0.681 -2.972 1.00 0.00 N ATOM 1613 CZ ARG A 121 -23.987 -0.580 -3.320 1.00 0.00 C ATOM 1614 NH1 ARG A 121 -23.994 -0.955 -4.597 1.00 0.00 N ATOM 1615 NH2 ARG A 121 -24.227 -1.475 -2.371 1.00 0.00 N ATOM 0 H ARG A 121 -20.761 4.577 -2.593 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.288 2.382 -3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.847 3.941 -4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.194 2.949 -5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.302 0.946 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -21.437 1.836 -2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.708 2.694 -3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.567 1.525 -4.898 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.859 0.931 -1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.796 -0.274 -5.330 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -24.197 -1.924 -4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.209 -1.196 -1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.430 -2.443 -2.622 1.00 0.00 H new ATOM 1629 N SER A 122 -19.001 5.350 -5.082 1.00 0.00 N ATOM 1630 CA SER A 122 -18.145 6.132 -5.960 1.00 0.00 C ATOM 1631 C SER A 122 -16.672 5.854 -5.627 1.00 0.00 C ATOM 1632 O SER A 122 -15.864 5.645 -6.527 1.00 0.00 O ATOM 1633 CB SER A 122 -18.565 7.595 -5.807 1.00 0.00 C ATOM 1634 OG SER A 122 -18.058 8.413 -6.839 1.00 0.00 O ATOM 0 H SER A 122 -19.654 5.915 -4.539 1.00 0.00 H new ATOM 0 HA SER A 122 -18.255 5.861 -7.010 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.653 7.658 -5.799 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.217 7.971 -4.845 1.00 0.00 H new ATOM 0 HG SER A 122 -18.354 9.337 -6.699 1.00 0.00 H new ATOM 1640 N GLN A 123 -16.342 5.708 -4.338 1.00 0.00 N ATOM 1641 CA GLN A 123 -14.992 5.370 -3.901 1.00 0.00 C ATOM 1642 C GLN A 123 -14.542 3.993 -4.407 1.00 0.00 C ATOM 1643 O GLN A 123 -13.345 3.747 -4.543 1.00 0.00 O ATOM 1644 CB GLN A 123 -14.957 5.453 -2.369 1.00 0.00 C ATOM 1645 CG GLN A 123 -13.635 5.027 -1.723 1.00 0.00 C ATOM 1646 CD GLN A 123 -13.658 5.479 -0.269 1.00 0.00 C ATOM 1647 OE1 GLN A 123 -12.741 6.119 0.233 1.00 0.00 O ATOM 1648 NE2 GLN A 123 -14.723 5.149 0.448 1.00 0.00 N ATOM 0 H GLN A 123 -17.007 5.822 -3.573 1.00 0.00 H new ATOM 0 HA GLN A 123 -14.284 6.080 -4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -15.174 6.479 -2.072 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -15.756 4.829 -1.969 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -13.511 3.946 -1.785 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -12.792 5.475 -2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -15.481 4.616 0.021 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -14.785 5.428 1.427 1.00 0.00 H new ATOM 1657 N LYS A 124 -15.477 3.079 -4.692 1.00 0.00 N ATOM 1658 CA LYS A 124 -15.136 1.760 -5.213 1.00 0.00 C ATOM 1659 C LYS A 124 -14.653 1.827 -6.656 1.00 0.00 C ATOM 1660 O LYS A 124 -14.158 0.806 -7.139 1.00 0.00 O ATOM 1661 CB LYS A 124 -16.315 0.782 -5.125 1.00 0.00 C ATOM 1662 CG LYS A 124 -16.926 0.670 -3.724 1.00 0.00 C ATOM 1663 CD LYS A 124 -17.954 -0.464 -3.705 1.00 0.00 C ATOM 1664 CE LYS A 124 -18.468 -0.738 -2.291 1.00 0.00 C ATOM 1665 NZ LYS A 124 -19.188 -2.029 -2.233 1.00 0.00 N ATOM 0 H LYS A 124 -16.477 3.234 -4.568 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.326 1.392 -4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -17.089 1.098 -5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -15.980 -0.205 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -16.144 0.479 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -17.401 1.611 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -18.792 -0.207 -4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -17.504 -1.370 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -17.632 -0.751 -1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -19.132 0.068 -1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -19.528 -2.194 -1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -19.998 -2.004 -2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -18.545 -2.798 -2.510 1.00 0.00 H new ATOM 1679 N ARG A 125 -14.830 2.954 -7.358 1.00 0.00 N ATOM 1680 CA ARG A 125 -14.092 3.220 -8.582 1.00 0.00 C ATOM 1681 C ARG A 125 -12.669 3.497 -8.168 1.00 0.00 C ATOM 1682 O ARG A 125 -11.874 2.595 -8.355 1.00 0.00 O ATOM 1683 CB ARG A 125 -14.715 4.346 -9.424 1.00 0.00 C ATOM 1684 CG ARG A 125 -15.604 3.836 -10.567 1.00 0.00 C ATOM 1685 CD ARG A 125 -16.575 2.759 -10.077 1.00 0.00 C ATOM 1686 NE ARG A 125 -17.719 2.551 -10.970 1.00 0.00 N ATOM 1687 CZ ARG A 125 -18.700 1.681 -10.724 1.00 0.00 C ATOM 1688 NH1 ARG A 125 -18.564 0.774 -9.755 1.00 0.00 N ATOM 1689 NH2 ARG A 125 -19.832 1.733 -11.409 1.00 0.00 N ATOM 0 H ARG A 125 -15.481 3.693 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 125 -14.129 2.359 -9.250 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -15.307 4.990 -8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -13.917 4.961 -9.841 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.165 4.668 -10.993 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -14.980 3.431 -11.363 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -16.036 1.818 -9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -16.942 3.035 -9.088 1.00 0.00 H new ATOM 0 HE ARG A 125 -17.768 3.102 -11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -17.709 0.745 -9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -19.316 0.110 -9.569 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -19.959 2.442 -12.131 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -20.577 1.064 -11.215 1.00 0.00 H new ATOM 1703 N GLU A 126 -12.354 4.651 -7.569 1.00 0.00 N ATOM 1704 CA GLU A 126 -10.968 5.092 -7.412 1.00 0.00 C ATOM 1705 C GLU A 126 -10.067 3.993 -6.870 1.00 0.00 C ATOM 1706 O GLU A 126 -9.065 3.656 -7.485 1.00 0.00 O ATOM 1707 CB GLU A 126 -10.866 6.283 -6.461 1.00 0.00 C ATOM 1708 CG GLU A 126 -11.082 7.630 -7.141 1.00 0.00 C ATOM 1709 CD GLU A 126 -12.530 8.108 -7.151 1.00 0.00 C ATOM 1710 OE1 GLU A 126 -13.365 7.634 -6.349 1.00 0.00 O ATOM 1711 OE2 GLU A 126 -12.867 8.967 -7.999 1.00 0.00 O ATOM 0 H GLU A 126 -13.044 5.296 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 126 -10.637 5.372 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.602 6.165 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -9.883 6.277 -5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.469 8.379 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -10.727 7.565 -8.170 1.00 0.00 H new ATOM 1718 N VAL A 127 -10.444 3.431 -5.726 1.00 0.00 N ATOM 1719 CA VAL A 127 -9.657 2.425 -5.024 1.00 0.00 C ATOM 1720 C VAL A 127 -9.332 1.252 -5.959 1.00 0.00 C ATOM 1721 O VAL A 127 -8.194 0.799 -6.027 1.00 0.00 O ATOM 1722 CB VAL A 127 -10.449 1.973 -3.785 1.00 0.00 C ATOM 1723 CG1 VAL A 127 -9.799 0.813 -3.023 1.00 0.00 C ATOM 1724 CG2 VAL A 127 -10.606 3.143 -2.802 1.00 0.00 C ATOM 0 H VAL A 127 -11.317 3.665 -5.254 1.00 0.00 H new ATOM 0 HA VAL A 127 -8.703 2.841 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.411 1.630 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -10.416 0.551 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.710 -0.051 -3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -8.808 1.112 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -11.168 2.812 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -9.621 3.490 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -11.140 3.959 -3.289 1.00 0.00 H new ATOM 1734 N ASP A 128 -10.334 0.699 -6.642 1.00 0.00 N ATOM 1735 CA ASP A 128 -10.108 -0.371 -7.617 1.00 0.00 C ATOM 1736 C ASP A 128 -9.392 0.071 -8.878 1.00 0.00 C ATOM 1737 O ASP A 128 -8.632 -0.706 -9.446 1.00 0.00 O ATOM 1738 CB ASP A 128 -11.439 -0.945 -8.059 1.00 0.00 C ATOM 1739 CG ASP A 128 -11.267 -2.373 -8.562 1.00 0.00 C ATOM 1740 OD1 ASP A 128 -10.729 -3.213 -7.807 1.00 0.00 O ATOM 1741 OD2 ASP A 128 -11.804 -2.669 -9.652 1.00 0.00 O ATOM 0 H ASP A 128 -11.311 0.973 -6.539 1.00 0.00 H new ATOM 0 HA ASP A 128 -9.477 -1.095 -7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -12.142 -0.929 -7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -11.865 -0.325 -8.848 1.00 0.00 H new ATOM 1746 N ASP A 129 -9.647 1.298 -9.315 1.00 0.00 N ATOM 1747 CA ASP A 129 -9.065 1.919 -10.491 1.00 0.00 C ATOM 1748 C ASP A 129 -7.563 2.067 -10.277 1.00 0.00 C ATOM 1749 O ASP A 129 -6.799 1.954 -11.230 1.00 0.00 O ATOM 1750 CB ASP A 129 -9.707 3.290 -10.785 1.00 0.00 C ATOM 1751 CG ASP A 129 -11.122 3.245 -11.373 1.00 0.00 C ATOM 1752 OD1 ASP A 129 -11.630 2.156 -11.727 1.00 0.00 O ATOM 1753 OD2 ASP A 129 -11.692 4.347 -11.564 1.00 0.00 O ATOM 0 H ASP A 129 -10.299 1.916 -8.832 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.256 1.284 -11.356 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -9.736 3.864 -9.859 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.062 3.832 -11.477 1.00 0.00 H new ATOM 1758 N TYR A 130 -7.128 2.265 -9.032 1.00 0.00 N ATOM 1759 CA TYR A 130 -5.737 2.256 -8.617 1.00 0.00 C ATOM 1760 C TYR A 130 -5.145 0.852 -8.721 1.00 0.00 C ATOM 1761 O TYR A 130 -4.026 0.704 -9.211 1.00 0.00 O ATOM 1762 CB TYR A 130 -5.640 2.817 -7.189 1.00 0.00 C ATOM 1763 CG TYR A 130 -6.114 4.254 -7.009 1.00 0.00 C ATOM 1764 CD1 TYR A 130 -6.076 5.178 -8.073 1.00 0.00 C ATOM 1765 CD2 TYR A 130 -6.657 4.656 -5.773 1.00 0.00 C ATOM 1766 CE1 TYR A 130 -6.565 6.479 -7.913 1.00 0.00 C ATOM 1767 CE2 TYR A 130 -7.191 5.946 -5.615 1.00 0.00 C ATOM 1768 CZ TYR A 130 -7.139 6.867 -6.689 1.00 0.00 C ATOM 1769 OH TYR A 130 -7.646 8.122 -6.565 1.00 0.00 O ATOM 0 H TYR A 130 -7.767 2.443 -8.258 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.150 2.890 -9.282 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.222 2.176 -6.527 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.602 2.753 -6.863 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -5.664 4.877 -9.025 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -6.663 3.968 -4.941 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -6.502 7.184 -8.728 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -7.640 6.234 -4.676 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.360 8.253 -7.223 1.00 0.00 H new ATOM 1779 N VAL A 131 -5.877 -0.198 -8.330 1.00 0.00 N ATOM 1780 CA VAL A 131 -5.410 -1.568 -8.563 1.00 0.00 C ATOM 1781 C VAL A 131 -5.366 -1.840 -10.080 1.00 0.00 C ATOM 1782 O VAL A 131 -4.451 -2.497 -10.560 1.00 0.00 O ATOM 1783 CB VAL A 131 -6.262 -2.611 -7.804 1.00 0.00 C ATOM 1784 CG1 VAL A 131 -5.637 -4.012 -7.923 1.00 0.00 C ATOM 1785 CG2 VAL A 131 -6.372 -2.294 -6.305 1.00 0.00 C ATOM 0 H VAL A 131 -6.779 -0.128 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.401 -1.668 -8.162 1.00 0.00 H new ATOM 0 HB VAL A 131 -7.252 -2.578 -8.259 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -6.252 -4.732 -7.382 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.583 -4.298 -8.973 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -4.633 -4.000 -7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -6.980 -3.055 -5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.376 -2.284 -5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -6.838 -1.317 -6.173 1.00 0.00 H new ATOM 1795 N ALA A 132 -6.297 -1.286 -10.862 1.00 0.00 N ATOM 1796 CA ALA A 132 -6.283 -1.342 -12.322 1.00 0.00 C ATOM 1797 C ALA A 132 -5.341 -0.300 -12.947 1.00 0.00 C ATOM 1798 O ALA A 132 -5.429 -0.025 -14.149 1.00 0.00 O ATOM 1799 CB ALA A 132 -7.713 -1.170 -12.850 1.00 0.00 C ATOM 0 H ALA A 132 -7.097 -0.776 -10.487 1.00 0.00 H new ATOM 0 HA ALA A 132 -5.895 -2.318 -12.615 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.706 -1.211 -13.939 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -8.343 -1.969 -12.461 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -8.107 -0.207 -12.526 1.00 0.00 H new ATOM 1805 N GLY A 133 -4.515 0.368 -12.139 1.00 0.00 N ATOM 1806 CA GLY A 133 -3.674 1.495 -12.518 1.00 0.00 C ATOM 1807 C GLY A 133 -2.228 1.307 -12.078 1.00 0.00 C ATOM 1808 O GLY A 133 -1.382 2.120 -12.456 1.00 0.00 O ATOM 0 H GLY A 133 -4.413 0.122 -11.154 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -3.709 1.625 -13.600 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -4.071 2.408 -12.074 1.00 0.00 H new ATOM 1812 N LEU A 134 -1.929 0.237 -11.336 1.00 0.00 N ATOM 1813 CA LEU A 134 -0.573 -0.211 -11.069 1.00 0.00 C ATOM 1814 C LEU A 134 -0.069 -1.086 -12.210 1.00 0.00 C ATOM 1815 O LEU A 134 -0.773 -1.353 -13.188 1.00 0.00 O ATOM 1816 CB LEU A 134 -0.473 -0.867 -9.673 1.00 0.00 C ATOM 1817 CG LEU A 134 -1.260 -2.163 -9.421 1.00 0.00 C ATOM 1818 CD1 LEU A 134 -0.638 -3.415 -10.050 1.00 0.00 C ATOM 1819 CD2 LEU A 134 -1.402 -2.374 -7.906 1.00 0.00 C ATOM 0 H LEU A 134 -2.641 -0.348 -10.899 1.00 0.00 H new ATOM 0 HA LEU A 134 0.097 0.648 -11.032 1.00 0.00 H new ATOM 0 HB2 LEU A 134 0.579 -1.073 -9.477 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -0.797 -0.132 -8.936 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.228 -2.033 -9.904 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -1.258 -4.282 -9.823 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.576 -3.287 -11.131 1.00 0.00 H new ATOM 0 HD13 LEU A 134 0.362 -3.567 -9.644 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -1.959 -3.292 -7.717 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -0.413 -2.451 -7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -1.935 -1.529 -7.469 1.00 0.00 H new ATOM 1831 N ARG A 135 1.186 -1.485 -12.097 1.00 0.00 N ATOM 1832 CA ARG A 135 1.963 -2.306 -13.008 1.00 0.00 C ATOM 1833 C ARG A 135 2.745 -3.268 -12.124 1.00 0.00 C ATOM 1834 O ARG A 135 2.894 -3.005 -10.928 1.00 0.00 O ATOM 1835 CB ARG A 135 2.913 -1.376 -13.780 1.00 0.00 C ATOM 1836 CG ARG A 135 2.149 -0.580 -14.848 1.00 0.00 C ATOM 1837 CD ARG A 135 2.990 0.513 -15.502 1.00 0.00 C ATOM 1838 NE ARG A 135 3.550 0.136 -16.808 1.00 0.00 N ATOM 1839 CZ ARG A 135 4.834 0.216 -17.161 1.00 0.00 C ATOM 1840 NH1 ARG A 135 5.778 0.170 -16.231 1.00 0.00 N ATOM 1841 NH2 ARG A 135 5.155 0.335 -18.446 1.00 0.00 N ATOM 0 H ARG A 135 1.740 -1.215 -11.284 1.00 0.00 H new ATOM 0 HA ARG A 135 1.355 -2.855 -13.727 1.00 0.00 H new ATOM 0 HB2 ARG A 135 3.400 -0.689 -13.087 1.00 0.00 H new ATOM 0 HB3 ARG A 135 3.700 -1.964 -14.252 1.00 0.00 H new ATOM 0 HG2 ARG A 135 1.794 -1.265 -15.618 1.00 0.00 H new ATOM 0 HG3 ARG A 135 1.268 -0.128 -14.393 1.00 0.00 H new ATOM 0 HD2 ARG A 135 2.376 1.405 -15.625 1.00 0.00 H new ATOM 0 HD3 ARG A 135 3.807 0.779 -14.831 1.00 0.00 H new ATOM 0 HE ARG A 135 2.898 -0.219 -17.507 1.00 0.00 H new ATOM 0 HH11 ARG A 135 5.522 0.074 -15.248 1.00 0.00 H new ATOM 0 HH12 ARG A 135 6.761 0.231 -16.498 1.00 0.00 H new ATOM 0 HH21 ARG A 135 4.422 0.365 -19.154 1.00 0.00 H new ATOM 0 HH22 ARG A 135 6.135 0.397 -18.723 1.00 0.00 H new ATOM 1855 N THR A 136 3.282 -4.347 -12.674 1.00 0.00 N ATOM 1856 CA THR A 136 4.073 -5.276 -11.859 1.00 0.00 C ATOM 1857 C THR A 136 5.555 -5.208 -12.244 1.00 0.00 C ATOM 1858 O THR A 136 6.422 -5.819 -11.624 1.00 0.00 O ATOM 1859 CB THR A 136 3.541 -6.703 -12.015 1.00 0.00 C ATOM 1860 OG1 THR A 136 2.726 -6.896 -13.166 1.00 0.00 O ATOM 1861 CG2 THR A 136 2.627 -6.990 -10.829 1.00 0.00 C ATOM 0 H THR A 136 3.192 -4.603 -13.657 1.00 0.00 H new ATOM 0 HA THR A 136 3.981 -4.983 -10.813 1.00 0.00 H new ATOM 0 HB THR A 136 4.416 -7.349 -12.091 1.00 0.00 H new ATOM 0 HG1 THR A 136 2.425 -7.828 -13.201 1.00 0.00 H new ATOM 0 HG21 THR A 136 2.231 -8.002 -10.911 1.00 0.00 H new ATOM 0 HG22 THR A 136 3.193 -6.896 -9.902 1.00 0.00 H new ATOM 0 HG23 THR A 136 1.803 -6.277 -10.824 1.00 0.00 H new ATOM 1869 N GLU A 137 5.828 -4.444 -13.287 1.00 0.00 N ATOM 1870 CA GLU A 137 7.084 -4.190 -13.952 1.00 0.00 C ATOM 1871 C GLU A 137 6.916 -2.862 -14.668 1.00 0.00 C ATOM 1872 O GLU A 137 5.836 -2.685 -15.280 1.00 0.00 O ATOM 1873 CB GLU A 137 7.328 -5.323 -14.963 1.00 0.00 C ATOM 1874 CG GLU A 137 8.730 -5.249 -15.574 1.00 0.00 C ATOM 1875 CD GLU A 137 8.837 -6.028 -16.890 1.00 0.00 C ATOM 1876 OE1 GLU A 137 8.376 -7.183 -16.995 1.00 0.00 O ATOM 1877 OE2 GLU A 137 9.435 -5.464 -17.844 1.00 0.00 O ATOM 0 H GLU A 137 5.076 -3.925 -13.740 1.00 0.00 H new ATOM 0 HA GLU A 137 7.929 -4.151 -13.265 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.198 -6.286 -14.468 1.00 0.00 H new ATOM 0 HB3 GLU A 137 6.583 -5.269 -15.756 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.992 -4.206 -15.750 1.00 0.00 H new ATOM 0 HG3 GLU A 137 9.455 -5.643 -14.862 1.00 0.00 H new TER 1884 GLU A 137