USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 965 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 36 LYS NZ :NH3+ -144:sc= 1.18 (180deg=0) USER MOD Set 1.2: A 56 SER OG : rot -175:sc= 1.01 USER MOD Set 2.1: A 29 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 42 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.048) USER MOD Set 3.1: A 17 GLN : amide:sc= 1.04 K(o=2.3,f=-7.2) USER MOD Set 3.2: A 91 LYS NZ :NH3+ -104:sc= 1.27 (180deg=-0.128) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0305) USER MOD Single : A 13 HIS : no HD1:sc= -1.67 K(o=-1.7,f=0.26) USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= -0.633! (180deg=-0.997) USER MOD Single : A 35 ASN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 52:sc= 0.949 USER MOD Single : A 45 SER OG : rot 175:sc= 0 USER MOD Single : A 46 THR OG1 : rot -149:sc= 1.25 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 105:sc= 1.26 USER MOD Single : A 53 HIS : no HE2:sc= 0.98 K(o=0.98,f=-3.9!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -81:sc= -1.09 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 0.921 (180deg=0.482) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0674 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.645 X(o=-0.65,f=-0.75) USER MOD Single : A 67 HIS : no HE2:sc= 0.609 K(o=0.61,f=-2.4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -15:sc= 0.856 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.31) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -16:sc= 1.05 USER MOD Single : A 96 SER OG : rot 160:sc= 0.819 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= 0.887 (180deg=0.491) USER MOD Single : A 111 GLN : amide:sc= -1.4! K(o=-1.4!,f=-0.0014) USER MOD Single : A 113 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00197) USER MOD Single : A 114 TYR OH : rot 165:sc= 0.275 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.815 5.285 20.550 1.00 16.25 N ATOM 2 CA MET A 1 15.214 5.285 21.030 1.00 15.99 C ATOM 3 C MET A 1 15.644 3.869 21.382 1.00 15.41 C ATOM 4 O MET A 1 14.944 3.159 22.108 1.00 15.45 O ATOM 5 CB MET A 1 15.314 6.203 22.258 1.00 16.51 C ATOM 6 CG MET A 1 16.729 6.369 22.783 1.00 16.79 C ATOM 7 SD MET A 1 16.797 7.391 24.268 1.00 17.24 S ATOM 8 CE MET A 1 18.567 7.507 24.528 1.00 17.83 C ATOM 0 H1 MET A 1 13.530 6.256 20.312 1.00 16.25 H new ATOM 0 H2 MET A 1 13.738 4.684 19.704 1.00 16.25 H new ATOM 0 H3 MET A 1 13.192 4.914 21.296 1.00 16.25 H new ATOM 0 HA MET A 1 15.877 5.654 20.248 1.00 15.99 H new ATOM 0 HB2 MET A 1 14.914 7.184 22.001 1.00 16.51 H new ATOM 0 HB3 MET A 1 14.686 5.801 23.053 1.00 16.51 H new ATOM 0 HG2 MET A 1 17.150 5.388 23.001 1.00 16.79 H new ATOM 0 HG3 MET A 1 17.351 6.817 22.008 1.00 16.79 H new ATOM 0 HE1 MET A 1 18.766 8.111 25.413 1.00 17.83 H new ATOM 0 HE2 MET A 1 18.980 6.508 24.669 1.00 17.83 H new ATOM 0 HE3 MET A 1 19.033 7.973 23.659 1.00 17.83 H new ATOM 20 N GLY A 2 16.779 3.458 20.847 1.00 15.02 N ATOM 21 CA GLY A 2 17.270 2.127 21.092 1.00 14.60 C ATOM 22 C GLY A 2 16.743 1.166 20.052 1.00 13.81 C ATOM 23 O GLY A 2 15.950 1.559 19.190 1.00 13.66 O ATOM 0 H GLY A 2 17.371 4.028 20.244 1.00 15.02 H new ATOM 0 HA2 GLY A 2 18.360 2.127 21.076 1.00 14.60 H new ATOM 0 HA3 GLY A 2 16.966 1.799 22.086 1.00 14.60 H new ATOM 27 N ASP A 3 17.162 -0.088 20.123 1.00 13.48 N ATOM 28 CA ASP A 3 16.703 -1.094 19.170 1.00 12.89 C ATOM 29 C ASP A 3 15.312 -1.586 19.542 1.00 12.18 C ATOM 30 O ASP A 3 15.163 -2.568 20.273 1.00 12.23 O ATOM 31 CB ASP A 3 17.671 -2.279 19.094 1.00 13.20 C ATOM 32 CG ASP A 3 18.964 -1.940 18.379 1.00 13.55 C ATOM 33 OD1 ASP A 3 19.824 -1.269 18.981 1.00 13.96 O ATOM 34 OD2 ASP A 3 19.114 -2.321 17.199 1.00 13.59 O ATOM 0 H ASP A 3 17.815 -0.435 20.825 1.00 13.48 H new ATOM 0 HA ASP A 3 16.666 -0.622 18.188 1.00 12.89 H new ATOM 0 HB2 ASP A 3 17.899 -2.621 20.104 1.00 13.20 H new ATOM 0 HB3 ASP A 3 17.184 -3.107 18.580 1.00 13.20 H new ATOM 39 N THR A 4 14.300 -0.895 19.039 1.00 11.73 N ATOM 40 CA THR A 4 12.915 -1.244 19.322 1.00 11.23 C ATOM 41 C THR A 4 12.556 -2.597 18.703 1.00 10.51 C ATOM 42 O THR A 4 11.693 -3.314 19.206 1.00 10.53 O ATOM 43 CB THR A 4 11.990 -0.152 18.780 1.00 11.64 C ATOM 44 OG1 THR A 4 12.567 1.126 18.985 1.00 12.39 O ATOM 45 CG2 THR A 4 10.622 -0.142 19.426 1.00 11.87 C ATOM 0 H THR A 4 14.413 -0.085 18.429 1.00 11.73 H new ATOM 0 HA THR A 4 12.788 -1.323 20.402 1.00 11.23 H new ATOM 0 HB THR A 4 11.867 -0.375 17.720 1.00 11.64 H new ATOM 0 HG1 THR A 4 11.967 1.816 18.633 1.00 12.39 H new ATOM 0 HG21 THR A 4 10.021 0.657 18.993 1.00 11.87 H new ATOM 0 HG22 THR A 4 10.131 -1.100 19.253 1.00 11.87 H new ATOM 0 HG23 THR A 4 10.727 0.023 20.498 1.00 11.87 H new ATOM 53 N GLY A 5 13.226 -2.939 17.611 1.00 10.10 N ATOM 54 CA GLY A 5 12.972 -4.199 16.946 1.00 9.63 C ATOM 55 C GLY A 5 11.721 -4.159 16.087 1.00 9.04 C ATOM 56 O GLY A 5 11.193 -5.201 15.691 1.00 9.05 O ATOM 0 H GLY A 5 13.944 -2.362 17.173 1.00 10.10 H new ATOM 0 HA2 GLY A 5 13.829 -4.457 16.323 1.00 9.63 H new ATOM 0 HA3 GLY A 5 12.872 -4.987 17.693 1.00 9.63 H new ATOM 60 N LYS A 6 11.246 -2.952 15.804 1.00 8.78 N ATOM 61 CA LYS A 6 10.044 -2.777 14.992 1.00 8.49 C ATOM 62 C LYS A 6 10.235 -1.698 13.917 1.00 7.56 C ATOM 63 O LYS A 6 9.445 -1.601 12.978 1.00 7.43 O ATOM 64 CB LYS A 6 8.861 -2.404 15.880 1.00 9.13 C ATOM 65 CG LYS A 6 8.440 -3.497 16.854 1.00 9.99 C ATOM 66 CD LYS A 6 7.354 -3.016 17.809 1.00 10.66 C ATOM 67 CE LYS A 6 6.929 -4.106 18.781 1.00 11.46 C ATOM 68 NZ LYS A 6 7.998 -4.423 19.765 1.00 11.90 N ATOM 0 H LYS A 6 11.672 -2.082 16.123 1.00 8.78 H new ATOM 0 HA LYS A 6 9.847 -3.725 14.491 1.00 8.49 H new ATOM 0 HB2 LYS A 6 9.115 -1.507 16.446 1.00 9.13 H new ATOM 0 HB3 LYS A 6 8.011 -2.151 15.246 1.00 9.13 H new ATOM 0 HG2 LYS A 6 8.077 -4.361 16.297 1.00 9.99 H new ATOM 0 HG3 LYS A 6 9.307 -3.828 17.426 1.00 9.99 H new ATOM 0 HD2 LYS A 6 7.718 -2.154 18.367 1.00 10.66 H new ATOM 0 HD3 LYS A 6 6.489 -2.683 17.236 1.00 10.66 H new ATOM 0 HE2 LYS A 6 6.031 -3.789 19.311 1.00 11.46 H new ATOM 0 HE3 LYS A 6 6.670 -5.007 18.225 1.00 11.46 H new ATOM 0 HZ1 LYS A 6 7.628 -5.082 20.479 1.00 11.90 H new ATOM 0 HZ2 LYS A 6 8.803 -4.861 19.274 1.00 11.90 H new ATOM 0 HZ3 LYS A 6 8.311 -3.548 20.231 1.00 11.90 H new ATOM 82 N LEU A 7 11.279 -0.886 14.058 1.00 7.18 N ATOM 83 CA LEU A 7 11.552 0.179 13.096 1.00 6.55 C ATOM 84 C LEU A 7 12.381 -0.343 11.932 1.00 5.97 C ATOM 85 O LEU A 7 12.877 -1.471 11.960 1.00 6.20 O ATOM 86 CB LEU A 7 12.280 1.358 13.762 1.00 7.03 C ATOM 87 CG LEU A 7 11.410 2.317 14.587 1.00 7.64 C ATOM 88 CD1 LEU A 7 10.235 2.828 13.758 1.00 8.38 C ATOM 89 CD2 LEU A 7 10.910 1.648 15.856 1.00 7.67 C ATOM 0 H LEU A 7 11.948 -0.944 14.826 1.00 7.18 H new ATOM 0 HA LEU A 7 10.592 0.531 12.719 1.00 6.55 H new ATOM 0 HB2 LEU A 7 13.058 0.957 14.412 1.00 7.03 H new ATOM 0 HB3 LEU A 7 12.781 1.934 12.984 1.00 7.03 H new ATOM 0 HG LEU A 7 12.030 3.167 14.872 1.00 7.64 H new ATOM 0 HD11 LEU A 7 9.631 3.506 14.362 1.00 8.38 H new ATOM 0 HD12 LEU A 7 10.611 3.358 12.883 1.00 8.38 H new ATOM 0 HD13 LEU A 7 9.623 1.985 13.437 1.00 8.38 H new ATOM 0 HD21 LEU A 7 10.297 2.351 16.420 1.00 7.67 H new ATOM 0 HD22 LEU A 7 10.314 0.774 15.596 1.00 7.67 H new ATOM 0 HD23 LEU A 7 11.760 1.339 16.464 1.00 7.67 H new ATOM 101 N GLY A 8 12.509 0.482 10.904 1.00 5.56 N ATOM 102 CA GLY A 8 13.257 0.113 9.722 1.00 5.28 C ATOM 103 C GLY A 8 12.383 0.239 8.499 1.00 4.37 C ATOM 104 O GLY A 8 12.861 0.496 7.395 1.00 4.43 O ATOM 0 H GLY A 8 12.100 1.416 10.869 1.00 5.56 H new ATOM 0 HA2 GLY A 8 14.133 0.754 9.621 1.00 5.28 H new ATOM 0 HA3 GLY A 8 13.620 -0.910 9.816 1.00 5.28 H new ATOM 108 N ARG A 9 11.089 0.082 8.725 1.00 3.85 N ATOM 109 CA ARG A 9 10.099 0.192 7.676 1.00 3.14 C ATOM 110 C ARG A 9 9.416 1.539 7.746 1.00 2.98 C ATOM 111 O ARG A 9 8.793 1.866 8.755 1.00 3.23 O ATOM 112 CB ARG A 9 9.025 -0.889 7.823 1.00 2.97 C ATOM 113 CG ARG A 9 9.514 -2.305 7.656 1.00 3.11 C ATOM 114 CD ARG A 9 8.356 -3.275 7.847 1.00 3.35 C ATOM 115 NE ARG A 9 7.690 -3.107 9.144 1.00 3.78 N ATOM 116 CZ ARG A 9 8.219 -3.473 10.314 1.00 4.27 C ATOM 117 NH1 ARG A 9 9.116 -4.445 10.350 1.00 4.46 N ATOM 118 NH2 ARG A 9 7.568 -3.180 11.429 1.00 4.95 N ATOM 0 H ARG A 9 10.699 -0.126 9.644 1.00 3.85 H new ATOM 0 HA ARG A 9 10.614 0.072 6.723 1.00 3.14 H new ATOM 0 HB2 ARG A 9 8.568 -0.793 8.808 1.00 2.97 H new ATOM 0 HB3 ARG A 9 8.242 -0.703 7.088 1.00 2.97 H new ATOM 0 HG2 ARG A 9 9.950 -2.435 6.665 1.00 3.11 H new ATOM 0 HG3 ARG A 9 10.301 -2.516 8.380 1.00 3.11 H new ATOM 0 HD2 ARG A 9 7.629 -3.130 7.048 1.00 3.35 H new ATOM 0 HD3 ARG A 9 8.725 -4.297 7.761 1.00 3.35 H new ATOM 0 HE ARG A 9 6.762 -2.683 9.152 1.00 3.78 H new ATOM 0 HH11 ARG A 9 9.399 -4.910 9.487 1.00 4.46 H new ATOM 0 HH12 ARG A 9 9.524 -4.730 11.240 1.00 4.46 H new ATOM 0 HH21 ARG A 9 6.678 -2.683 11.385 1.00 4.95 H new ATOM 0 HH22 ARG A 9 7.956 -3.451 12.332 1.00 4.95 H new ATOM 132 N ILE A 10 9.489 2.303 6.680 1.00 2.78 N ATOM 133 CA ILE A 10 8.817 3.579 6.653 1.00 2.70 C ATOM 134 C ILE A 10 7.371 3.302 6.257 1.00 2.20 C ATOM 135 O ILE A 10 7.104 2.308 5.579 1.00 2.49 O ATOM 136 CB ILE A 10 9.494 4.577 5.687 1.00 2.80 C ATOM 137 CG1 ILE A 10 8.805 5.949 5.732 1.00 2.80 C ATOM 138 CG2 ILE A 10 9.517 4.032 4.271 1.00 2.55 C ATOM 139 CD1 ILE A 10 8.769 6.572 7.112 1.00 3.25 C ATOM 0 H ILE A 10 10.001 2.066 5.830 1.00 2.78 H new ATOM 0 HA ILE A 10 8.867 4.054 7.633 1.00 2.70 H new ATOM 0 HB ILE A 10 10.525 4.709 6.017 1.00 2.80 H new ATOM 0 HG12 ILE A 10 9.321 6.626 5.052 1.00 2.80 H new ATOM 0 HG13 ILE A 10 7.784 5.844 5.364 1.00 2.80 H new ATOM 0 HG21 ILE A 10 9.999 4.754 3.611 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.073 3.095 4.251 1.00 2.55 H new ATOM 0 HG23 ILE A 10 8.496 3.856 3.932 1.00 2.55 H new ATOM 0 HD11 ILE A 10 8.267 7.538 7.062 1.00 3.25 H new ATOM 0 HD12 ILE A 10 8.227 5.916 7.793 1.00 3.25 H new ATOM 0 HD13 ILE A 10 9.787 6.710 7.475 1.00 3.25 H new ATOM 151 N ILE A 11 6.447 4.119 6.737 1.00 1.98 N ATOM 152 CA ILE A 11 5.034 3.916 6.489 1.00 1.56 C ATOM 153 C ILE A 11 4.625 2.645 7.221 1.00 1.31 C ATOM 154 O ILE A 11 4.923 2.516 8.411 1.00 1.71 O ATOM 155 CB ILE A 11 4.675 3.857 4.977 1.00 1.37 C ATOM 156 CG1 ILE A 11 5.361 5.011 4.236 1.00 1.94 C ATOM 157 CG2 ILE A 11 3.158 3.948 4.790 1.00 1.05 C ATOM 158 CD1 ILE A 11 5.147 4.995 2.738 1.00 2.05 C ATOM 0 H ILE A 11 6.657 4.938 7.307 1.00 1.98 H new ATOM 0 HA ILE A 11 4.477 4.774 6.864 1.00 1.56 H new ATOM 0 HB ILE A 11 5.024 2.909 4.568 1.00 1.37 H new ATOM 0 HG12 ILE A 11 4.992 5.956 4.635 1.00 1.94 H new ATOM 0 HG13 ILE A 11 6.431 4.975 4.440 1.00 1.94 H new ATOM 0 HG21 ILE A 11 2.919 3.906 3.727 1.00 1.05 H new ATOM 0 HG22 ILE A 11 2.678 3.115 5.303 1.00 1.05 H new ATOM 0 HG23 ILE A 11 2.796 4.888 5.206 1.00 1.05 H new ATOM 0 HD11 ILE A 11 5.664 5.843 2.288 1.00 2.05 H new ATOM 0 HD12 ILE A 11 5.542 4.067 2.324 1.00 2.05 H new ATOM 0 HD13 ILE A 11 4.081 5.063 2.522 1.00 2.05 H new ATOM 170 N ARG A 12 3.994 1.703 6.538 1.00 0.96 N ATOM 171 CA ARG A 12 3.582 0.439 7.161 1.00 1.02 C ATOM 172 C ARG A 12 3.316 -0.633 6.110 1.00 0.77 C ATOM 173 O ARG A 12 3.551 -0.433 4.919 1.00 0.91 O ATOM 174 CB ARG A 12 2.293 0.624 7.963 1.00 1.53 C ATOM 175 CG ARG A 12 2.423 0.486 9.478 1.00 2.10 C ATOM 176 CD ARG A 12 2.816 1.805 10.116 1.00 2.67 C ATOM 177 NE ARG A 12 2.675 1.795 11.570 1.00 3.29 N ATOM 178 CZ ARG A 12 2.921 2.857 12.337 1.00 3.98 C ATOM 179 NH1 ARG A 12 3.571 3.897 11.832 1.00 4.30 N ATOM 180 NH2 ARG A 12 2.713 2.790 13.642 1.00 4.72 N ATOM 0 H ARG A 12 3.752 1.783 5.550 1.00 0.96 H new ATOM 0 HA ARG A 12 4.398 0.130 7.814 1.00 1.02 H new ATOM 0 HB2 ARG A 12 1.889 1.612 7.741 1.00 1.53 H new ATOM 0 HB3 ARG A 12 1.563 -0.105 7.613 1.00 1.53 H new ATOM 0 HG2 ARG A 12 1.477 0.144 9.897 1.00 2.10 H new ATOM 0 HG3 ARG A 12 3.170 -0.272 9.714 1.00 2.10 H new ATOM 0 HD2 ARG A 12 3.850 2.035 9.857 1.00 2.67 H new ATOM 0 HD3 ARG A 12 2.199 2.602 9.701 1.00 2.67 H new ATOM 0 HE ARG A 12 2.373 0.932 12.021 1.00 3.29 H new ATOM 0 HH11 ARG A 12 3.881 3.882 10.860 1.00 4.30 H new ATOM 0 HH12 ARG A 12 3.761 4.712 12.415 1.00 4.30 H new ATOM 0 HH21 ARG A 12 2.365 1.927 14.059 1.00 4.72 H new ATOM 0 HH22 ARG A 12 2.901 3.602 14.231 1.00 4.72 H new ATOM 194 N HIS A 13 2.752 -1.748 6.568 1.00 0.70 N ATOM 195 CA HIS A 13 2.371 -2.854 5.706 1.00 0.68 C ATOM 196 C HIS A 13 1.057 -3.431 6.239 1.00 0.74 C ATOM 197 O HIS A 13 0.914 -3.619 7.450 1.00 1.04 O ATOM 198 CB HIS A 13 3.496 -3.913 5.604 1.00 0.93 C ATOM 199 CG HIS A 13 3.947 -4.577 6.883 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.023 -5.437 6.927 1.00 1.69 N ATOM 201 CD2 HIS A 13 3.464 -4.531 8.147 1.00 1.46 C ATOM 202 CE1 HIS A 13 5.174 -5.888 8.158 1.00 1.98 C ATOM 203 NE2 HIS A 13 4.241 -5.356 8.918 1.00 1.80 N ATOM 0 H HIS A 13 2.547 -1.906 7.555 1.00 0.70 H new ATOM 0 HA HIS A 13 2.219 -2.504 4.685 1.00 0.68 H new ATOM 0 HB2 HIS A 13 3.162 -4.693 4.920 1.00 0.93 H new ATOM 0 HB3 HIS A 13 4.364 -3.438 5.147 1.00 0.93 H new ATOM 0 HD2 HIS A 13 2.619 -3.950 8.486 1.00 1.46 H new ATOM 0 HE1 HIS A 13 5.936 -6.579 8.487 1.00 1.98 H new ATOM 0 HE2 HIS A 13 4.117 -5.529 9.916 1.00 1.80 H new ATOM 212 N ASP A 14 0.077 -3.644 5.366 1.00 0.60 N ATOM 213 CA ASP A 14 -1.227 -4.140 5.814 1.00 0.69 C ATOM 214 C ASP A 14 -1.988 -4.875 4.709 1.00 0.61 C ATOM 215 O ASP A 14 -1.980 -4.467 3.550 1.00 0.86 O ATOM 216 CB ASP A 14 -2.058 -2.972 6.361 1.00 0.83 C ATOM 217 CG ASP A 14 -3.372 -3.420 6.974 1.00 1.31 C ATOM 218 OD1 ASP A 14 -4.340 -3.662 6.233 1.00 2.03 O ATOM 219 OD2 ASP A 14 -3.419 -3.568 8.212 1.00 1.78 O ATOM 0 H ASP A 14 0.154 -3.485 4.361 1.00 0.60 H new ATOM 0 HA ASP A 14 -1.051 -4.869 6.605 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -1.476 -2.438 7.112 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -2.260 -2.267 5.554 1.00 0.83 H new ATOM 224 N ALA A 15 -2.661 -5.951 5.096 1.00 0.75 N ATOM 225 CA ALA A 15 -3.445 -6.758 4.171 1.00 0.71 C ATOM 226 C ALA A 15 -4.927 -6.434 4.275 1.00 0.68 C ATOM 227 O ALA A 15 -5.575 -6.766 5.273 1.00 0.88 O ATOM 228 CB ALA A 15 -3.219 -8.232 4.440 1.00 0.84 C ATOM 0 H ALA A 15 -2.679 -6.288 6.058 1.00 0.75 H new ATOM 0 HA ALA A 15 -3.115 -6.522 3.159 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.811 -8.824 3.742 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -2.163 -8.468 4.311 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.521 -8.466 5.461 1.00 0.84 H new ATOM 234 N PHE A 16 -5.449 -5.773 3.253 1.00 0.60 N ATOM 235 CA PHE A 16 -6.854 -5.381 3.227 1.00 0.67 C ATOM 236 C PHE A 16 -7.698 -6.292 2.350 1.00 0.68 C ATOM 237 O PHE A 16 -7.253 -6.759 1.304 1.00 1.00 O ATOM 238 CB PHE A 16 -7.006 -3.958 2.680 1.00 0.77 C ATOM 239 CG PHE A 16 -6.660 -2.858 3.629 1.00 1.09 C ATOM 240 CD1 PHE A 16 -7.508 -2.536 4.669 1.00 1.83 C ATOM 241 CD2 PHE A 16 -5.493 -2.135 3.468 1.00 1.74 C ATOM 242 CE1 PHE A 16 -7.205 -1.511 5.533 1.00 2.36 C ATOM 243 CE2 PHE A 16 -5.179 -1.105 4.330 1.00 2.26 C ATOM 244 CZ PHE A 16 -6.038 -0.790 5.364 1.00 2.35 C ATOM 0 H PHE A 16 -4.920 -5.495 2.426 1.00 0.60 H new ATOM 0 HA PHE A 16 -7.201 -5.450 4.258 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -6.378 -3.860 1.795 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -8.038 -3.822 2.355 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -8.421 -3.096 4.806 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -4.820 -2.379 2.659 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -7.878 -1.269 6.343 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -4.264 -0.547 4.197 1.00 2.26 H new ATOM 0 HZ PHE A 16 -5.799 0.018 6.039 1.00 2.35 H new ATOM 254 N GLN A 17 -8.936 -6.490 2.760 1.00 0.59 N ATOM 255 CA GLN A 17 -9.876 -7.274 1.980 1.00 0.60 C ATOM 256 C GLN A 17 -10.807 -6.290 1.294 1.00 0.64 C ATOM 257 O GLN A 17 -11.809 -5.852 1.867 1.00 0.95 O ATOM 258 CB GLN A 17 -10.658 -8.248 2.861 1.00 0.74 C ATOM 259 CG GLN A 17 -11.544 -9.186 2.062 1.00 1.07 C ATOM 260 CD GLN A 17 -12.357 -10.115 2.936 1.00 1.26 C ATOM 261 OE1 GLN A 17 -13.169 -9.671 3.750 1.00 1.81 O ATOM 262 NE2 GLN A 17 -12.151 -11.411 2.768 1.00 1.63 N ATOM 0 H GLN A 17 -9.316 -6.118 3.631 1.00 0.59 H new ATOM 0 HA GLN A 17 -9.348 -7.884 1.247 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -9.958 -8.836 3.455 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -11.274 -7.683 3.561 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -12.218 -8.598 1.439 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -10.924 -9.778 1.389 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -11.469 -11.734 2.082 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -12.675 -12.087 3.324 1.00 1.63 H new ATOM 271 N VAL A 18 -10.433 -5.889 0.094 1.00 0.51 N ATOM 272 CA VAL A 18 -11.190 -4.897 -0.638 1.00 0.59 C ATOM 273 C VAL A 18 -11.425 -5.217 -2.099 1.00 0.60 C ATOM 274 O VAL A 18 -11.337 -6.360 -2.552 1.00 1.04 O ATOM 275 CB VAL A 18 -10.493 -3.551 -0.571 1.00 0.83 C ATOM 276 CG1 VAL A 18 -10.909 -2.827 0.678 1.00 1.24 C ATOM 277 CG2 VAL A 18 -8.982 -3.728 -0.642 1.00 0.84 C ATOM 0 H VAL A 18 -9.608 -6.237 -0.394 1.00 0.51 H new ATOM 0 HA VAL A 18 -12.164 -4.885 -0.149 1.00 0.59 H new ATOM 0 HB VAL A 18 -10.789 -2.947 -1.429 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -10.407 -1.861 0.723 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -11.988 -2.675 0.668 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -10.634 -3.420 1.551 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -8.499 -2.752 -0.593 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -8.648 -4.341 0.195 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -8.717 -4.217 -1.579 1.00 0.84 H new ATOM 287 N TRP A 19 -11.765 -4.157 -2.806 1.00 0.63 N ATOM 288 CA TRP A 19 -12.086 -4.198 -4.209 1.00 0.65 C ATOM 289 C TRP A 19 -11.005 -3.492 -5.034 1.00 0.68 C ATOM 290 O TRP A 19 -11.015 -2.271 -5.174 1.00 1.04 O ATOM 291 CB TRP A 19 -13.422 -3.480 -4.370 1.00 0.72 C ATOM 292 CG TRP A 19 -14.436 -3.839 -3.304 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.294 -4.898 -3.318 1.00 0.83 C ATOM 294 CD2 TRP A 19 -14.675 -3.156 -2.056 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.078 -4.896 -2.192 1.00 0.90 N ATOM 296 CE2 TRP A 19 -15.720 -3.840 -1.403 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.130 -2.021 -1.435 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.216 -3.443 -0.164 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -14.626 -1.634 -0.206 1.00 0.89 C ATOM 300 CH2 TRP A 19 -15.666 -2.335 0.413 1.00 0.96 C ATOM 0 H TRP A 19 -11.826 -3.221 -2.405 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.142 -5.227 -4.563 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.251 -2.404 -4.349 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -13.837 -3.718 -5.349 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.349 -5.635 -4.105 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -16.810 -5.574 -1.979 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.338 -1.461 -1.910 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.008 -3.992 0.323 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.202 -0.772 0.288 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.041 -1.993 1.366 1.00 0.96 H new ATOM 311 N GLU A 20 -10.078 -4.261 -5.585 1.00 0.69 N ATOM 312 CA GLU A 20 -9.007 -3.693 -6.398 1.00 0.77 C ATOM 313 C GLU A 20 -9.271 -3.975 -7.872 1.00 1.18 C ATOM 314 O GLU A 20 -8.797 -4.974 -8.420 1.00 1.81 O ATOM 315 CB GLU A 20 -7.648 -4.256 -5.983 1.00 1.04 C ATOM 316 CG GLU A 20 -6.450 -3.489 -6.541 1.00 1.26 C ATOM 317 CD GLU A 20 -5.966 -4.019 -7.877 1.00 1.90 C ATOM 318 OE1 GLU A 20 -5.539 -5.191 -7.930 1.00 2.42 O ATOM 319 OE2 GLU A 20 -6.019 -3.278 -8.879 1.00 2.62 O ATOM 0 H GLU A 20 -10.043 -5.276 -5.486 1.00 0.69 H new ATOM 0 HA GLU A 20 -8.987 -2.615 -6.239 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -7.587 -4.260 -4.895 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -7.583 -5.294 -6.309 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -6.720 -2.439 -6.651 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -5.632 -3.535 -5.822 1.00 1.26 H new ATOM 326 N GLY A 21 -10.035 -3.094 -8.474 1.00 1.49 N ATOM 327 CA GLY A 21 -10.401 -3.200 -9.885 1.00 1.95 C ATOM 328 C GLY A 21 -11.317 -4.365 -10.180 1.00 2.05 C ATOM 329 O GLY A 21 -12.420 -4.169 -10.691 1.00 2.48 O ATOM 0 H GLY A 21 -10.427 -2.277 -8.006 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -10.888 -2.276 -10.197 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -9.494 -3.300 -10.482 1.00 1.95 H new ATOM 333 N ASP A 22 -10.866 -5.565 -9.849 1.00 2.34 N ATOM 334 CA ASP A 22 -11.650 -6.768 -10.052 1.00 2.75 C ATOM 335 C ASP A 22 -12.713 -6.827 -8.964 1.00 2.43 C ATOM 336 O ASP A 22 -12.659 -7.679 -8.085 1.00 2.85 O ATOM 337 CB ASP A 22 -10.741 -8.009 -10.016 1.00 3.62 C ATOM 338 CG ASP A 22 -11.395 -9.240 -10.617 1.00 4.19 C ATOM 339 OD1 ASP A 22 -12.345 -9.776 -10.008 1.00 4.65 O ATOM 340 OD2 ASP A 22 -10.960 -9.677 -11.703 1.00 4.60 O ATOM 0 H ASP A 22 -9.949 -5.730 -9.434 1.00 2.34 H new ATOM 0 HA ASP A 22 -12.132 -6.750 -11.029 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -9.819 -7.793 -10.556 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -10.463 -8.219 -8.983 1.00 3.62 H new ATOM 345 N GLU A 23 -13.622 -5.853 -9.057 1.00 2.07 N ATOM 346 CA GLU A 23 -14.758 -5.621 -8.130 1.00 2.37 C ATOM 347 C GLU A 23 -14.878 -6.625 -6.971 1.00 1.70 C ATOM 348 O GLU A 23 -14.649 -6.223 -5.836 1.00 1.86 O ATOM 349 CB GLU A 23 -16.076 -5.533 -8.898 1.00 3.34 C ATOM 350 CG GLU A 23 -16.169 -4.335 -9.827 1.00 4.22 C ATOM 351 CD GLU A 23 -17.589 -4.062 -10.275 1.00 5.12 C ATOM 352 OE1 GLU A 23 -18.238 -4.986 -10.820 1.00 5.78 O ATOM 353 OE2 GLU A 23 -18.069 -2.931 -10.075 1.00 5.52 O ATOM 0 H GLU A 23 -13.594 -5.167 -9.812 1.00 2.07 H new ATOM 0 HA GLU A 23 -14.535 -4.666 -7.655 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -16.206 -6.444 -9.482 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -16.899 -5.492 -8.184 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -15.775 -3.454 -9.320 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -15.542 -4.507 -10.702 1.00 4.22 H new ATOM 360 N PRO A 24 -15.243 -7.922 -7.204 1.00 1.42 N ATOM 361 CA PRO A 24 -15.370 -8.912 -6.122 1.00 1.17 C ATOM 362 C PRO A 24 -14.252 -8.791 -5.085 1.00 0.97 C ATOM 363 O PRO A 24 -13.073 -8.915 -5.415 1.00 1.08 O ATOM 364 CB PRO A 24 -15.263 -10.242 -6.869 1.00 1.65 C ATOM 365 CG PRO A 24 -15.877 -9.968 -8.200 1.00 2.09 C ATOM 366 CD PRO A 24 -15.562 -8.528 -8.519 1.00 2.00 C ATOM 0 HA PRO A 24 -16.293 -8.789 -5.555 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -14.225 -10.560 -6.968 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -15.792 -11.037 -6.343 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -15.470 -10.634 -8.961 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -16.954 -10.135 -8.174 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -14.721 -8.448 -9.208 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -16.409 -8.031 -8.991 1.00 2.00 H new ATOM 374 N PRO A 25 -14.614 -8.513 -3.819 1.00 0.88 N ATOM 375 CA PRO A 25 -13.655 -8.338 -2.726 1.00 0.77 C ATOM 376 C PRO A 25 -12.644 -9.477 -2.622 1.00 0.74 C ATOM 377 O PRO A 25 -13.013 -10.655 -2.598 1.00 0.92 O ATOM 378 CB PRO A 25 -14.517 -8.278 -1.461 1.00 0.92 C ATOM 379 CG PRO A 25 -15.907 -8.619 -1.888 1.00 1.08 C ATOM 380 CD PRO A 25 -15.994 -8.320 -3.356 1.00 1.09 C ATOM 0 HA PRO A 25 -13.054 -7.443 -2.886 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -14.157 -8.982 -0.711 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.480 -7.286 -1.011 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -16.125 -9.669 -1.694 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -16.638 -8.033 -1.330 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -16.687 -8.991 -3.863 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -16.342 -7.304 -3.540 1.00 1.09 H new ATOM 388 N LYS A 26 -11.375 -9.102 -2.569 1.00 0.65 N ATOM 389 CA LYS A 26 -10.284 -10.068 -2.471 1.00 0.73 C ATOM 390 C LYS A 26 -9.272 -9.607 -1.444 1.00 0.66 C ATOM 391 O LYS A 26 -9.155 -8.410 -1.174 1.00 0.88 O ATOM 392 CB LYS A 26 -9.577 -10.216 -3.822 1.00 0.95 C ATOM 393 CG LYS A 26 -10.476 -10.698 -4.938 1.00 1.34 C ATOM 394 CD LYS A 26 -9.763 -10.663 -6.282 1.00 1.42 C ATOM 395 CE LYS A 26 -10.682 -11.100 -7.399 1.00 1.61 C ATOM 396 NZ LYS A 26 -11.916 -10.281 -7.461 1.00 2.20 N ATOM 0 H LYS A 26 -11.071 -8.129 -2.592 1.00 0.65 H new ATOM 0 HA LYS A 26 -10.707 -11.027 -2.172 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -9.149 -9.254 -4.104 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -8.747 -10.914 -3.711 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -10.807 -11.715 -4.727 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -11.369 -10.075 -4.982 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -9.401 -9.654 -6.479 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -8.889 -11.314 -6.250 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -10.154 -11.031 -8.350 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -10.950 -12.147 -7.258 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -12.417 -10.475 -8.352 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -12.532 -10.520 -6.658 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -11.666 -9.272 -7.417 1.00 2.20 H new ATOM 410 N LEU A 27 -8.525 -10.542 -0.894 1.00 0.67 N ATOM 411 CA LEU A 27 -7.504 -10.219 0.080 1.00 0.65 C ATOM 412 C LEU A 27 -6.246 -9.762 -0.640 1.00 0.67 C ATOM 413 O LEU A 27 -5.638 -10.531 -1.379 1.00 1.02 O ATOM 414 CB LEU A 27 -7.183 -11.450 0.936 1.00 0.76 C ATOM 415 CG LEU A 27 -5.934 -11.332 1.793 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.051 -10.165 2.745 1.00 1.31 C ATOM 417 CD2 LEU A 27 -5.677 -12.623 2.544 1.00 1.23 C ATOM 0 H LEU A 27 -8.607 -11.536 -1.107 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.869 -9.421 0.727 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -8.034 -11.652 1.587 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -7.073 -12.312 0.278 1.00 0.76 H new ATOM 0 HG LEU A 27 -5.082 -11.149 1.138 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.147 -10.097 3.350 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -6.178 -9.243 2.177 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -6.913 -10.311 3.396 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -4.778 -12.518 3.152 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -6.527 -12.844 3.189 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -5.540 -13.437 1.832 1.00 1.23 H new ATOM 429 N ARG A 28 -5.857 -8.517 -0.439 1.00 0.57 N ATOM 430 CA ARG A 28 -4.674 -7.985 -1.092 1.00 0.59 C ATOM 431 C ARG A 28 -3.890 -7.112 -0.124 1.00 0.55 C ATOM 432 O ARG A 28 -4.367 -6.071 0.326 1.00 0.64 O ATOM 433 CB ARG A 28 -5.075 -7.244 -2.378 1.00 0.71 C ATOM 434 CG ARG A 28 -5.693 -8.197 -3.384 1.00 1.41 C ATOM 435 CD ARG A 28 -6.074 -7.545 -4.699 1.00 1.72 C ATOM 436 NE ARG A 28 -6.266 -8.562 -5.737 1.00 1.97 N ATOM 437 CZ ARG A 28 -6.554 -8.291 -7.010 1.00 2.42 C ATOM 438 NH1 ARG A 28 -7.153 -7.156 -7.317 1.00 2.77 N ATOM 439 NH2 ARG A 28 -6.508 -9.268 -7.909 1.00 3.18 N ATOM 0 H ARG A 28 -6.341 -7.856 0.169 1.00 0.57 H new ATOM 0 HA ARG A 28 -4.012 -8.800 -1.387 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -5.784 -6.451 -2.139 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -4.198 -6.766 -2.815 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -4.990 -9.006 -3.582 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -6.582 -8.648 -2.943 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -6.989 -6.967 -4.574 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -5.295 -6.846 -5.005 1.00 1.72 H new ATOM 0 HE ARG A 28 -6.173 -9.541 -5.468 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -7.393 -6.491 -6.582 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -7.376 -6.944 -8.289 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -6.254 -10.213 -7.622 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -6.726 -9.073 -8.886 1.00 3.18 H new ATOM 453 N TYR A 29 -2.702 -7.582 0.226 1.00 0.55 N ATOM 454 CA TYR A 29 -1.840 -6.889 1.175 1.00 0.59 C ATOM 455 C TYR A 29 -1.028 -5.774 0.524 1.00 0.55 C ATOM 456 O TYR A 29 -0.299 -5.990 -0.446 1.00 0.70 O ATOM 457 CB TYR A 29 -0.922 -7.888 1.903 1.00 0.71 C ATOM 458 CG TYR A 29 -0.782 -9.237 1.216 1.00 0.77 C ATOM 459 CD1 TYR A 29 -0.081 -9.368 0.024 1.00 1.38 C ATOM 460 CD2 TYR A 29 -1.354 -10.382 1.766 1.00 1.46 C ATOM 461 CE1 TYR A 29 0.050 -10.591 -0.601 1.00 1.55 C ATOM 462 CE2 TYR A 29 -1.228 -11.611 1.141 1.00 1.63 C ATOM 463 CZ TYR A 29 -0.523 -11.707 -0.045 1.00 1.26 C ATOM 464 OH TYR A 29 -0.380 -12.925 -0.668 1.00 1.58 O ATOM 0 H TYR A 29 -2.309 -8.450 -0.137 1.00 0.55 H new ATOM 0 HA TYR A 29 -2.491 -6.412 1.908 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.068 -7.443 2.006 1.00 0.71 H new ATOM 0 HB3 TYR A 29 -1.306 -8.047 2.911 1.00 0.71 H new ATOM 0 HD1 TYR A 29 0.371 -8.495 -0.423 1.00 1.38 H new ATOM 0 HD2 TYR A 29 -1.903 -10.310 2.693 1.00 1.46 H new ATOM 0 HE1 TYR A 29 0.602 -10.670 -1.526 1.00 1.55 H new ATOM 0 HE2 TYR A 29 -1.678 -12.490 1.577 1.00 1.63 H new ATOM 0 HH TYR A 29 -0.843 -13.615 -0.148 1.00 1.58 H new ATOM 474 N VAL A 30 -1.187 -4.582 1.077 1.00 0.48 N ATOM 475 CA VAL A 30 -0.516 -3.391 0.600 1.00 0.48 C ATOM 476 C VAL A 30 0.689 -3.069 1.471 1.00 0.49 C ATOM 477 O VAL A 30 0.588 -3.020 2.699 1.00 0.59 O ATOM 478 CB VAL A 30 -1.482 -2.188 0.615 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.835 -0.956 0.015 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.768 -2.529 -0.120 1.00 0.65 C ATOM 0 H VAL A 30 -1.794 -4.416 1.880 1.00 0.48 H new ATOM 0 HA VAL A 30 -0.183 -3.580 -0.421 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.724 -1.965 1.654 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.541 -0.126 0.040 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.053 -0.695 0.590 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.551 -1.160 -1.017 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.438 -1.669 -0.100 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.539 -2.786 -1.154 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -3.251 -3.377 0.366 1.00 0.65 H new ATOM 490 N PHE A 31 1.823 -2.837 0.831 1.00 0.49 N ATOM 491 CA PHE A 31 3.050 -2.499 1.535 1.00 0.54 C ATOM 492 C PHE A 31 3.603 -1.195 0.971 1.00 0.52 C ATOM 493 O PHE A 31 4.139 -1.173 -0.133 1.00 0.56 O ATOM 494 CB PHE A 31 4.100 -3.615 1.388 1.00 0.61 C ATOM 495 CG PHE A 31 3.595 -5.011 1.660 1.00 0.61 C ATOM 496 CD1 PHE A 31 2.931 -5.737 0.678 1.00 1.22 C ATOM 497 CD2 PHE A 31 3.792 -5.596 2.898 1.00 1.44 C ATOM 498 CE1 PHE A 31 2.485 -7.019 0.932 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.346 -6.877 3.156 1.00 1.49 C ATOM 500 CZ PHE A 31 2.693 -7.590 2.172 1.00 0.85 C ATOM 0 H PHE A 31 1.920 -2.877 -0.184 1.00 0.49 H new ATOM 0 HA PHE A 31 2.825 -2.385 2.595 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.503 -3.582 0.376 1.00 0.61 H new ATOM 0 HB3 PHE A 31 4.927 -3.406 2.067 1.00 0.61 H new ATOM 0 HD1 PHE A 31 2.762 -5.294 -0.293 1.00 1.22 H new ATOM 0 HD2 PHE A 31 4.302 -5.043 3.673 1.00 1.44 H new ATOM 0 HE1 PHE A 31 1.973 -7.575 0.161 1.00 1.30 H new ATOM 0 HE2 PHE A 31 3.508 -7.320 4.127 1.00 1.49 H new ATOM 0 HZ PHE A 31 2.345 -8.593 2.371 1.00 0.85 H new ATOM 510 N LEU A 32 3.472 -0.100 1.705 1.00 0.57 N ATOM 511 CA LEU A 32 3.976 1.173 1.212 1.00 0.59 C ATOM 512 C LEU A 32 5.307 1.517 1.852 1.00 0.67 C ATOM 513 O LEU A 32 5.455 1.441 3.071 1.00 0.84 O ATOM 514 CB LEU A 32 3.014 2.337 1.465 1.00 0.74 C ATOM 515 CG LEU A 32 1.517 2.090 1.218 1.00 0.98 C ATOM 516 CD1 LEU A 32 0.739 3.373 1.466 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.283 1.609 -0.196 1.00 1.43 C ATOM 0 H LEU A 32 3.031 -0.065 2.624 1.00 0.57 H new ATOM 0 HA LEU A 32 4.089 1.043 0.136 1.00 0.59 H new ATOM 0 HB2 LEU A 32 3.136 2.654 2.501 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.325 3.172 0.837 1.00 0.74 H new ATOM 0 HG LEU A 32 1.171 1.318 1.906 1.00 0.98 H new ATOM 0 HD11 LEU A 32 -0.322 3.195 1.290 1.00 1.10 H new ATOM 0 HD12 LEU A 32 0.887 3.695 2.497 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.094 4.150 0.789 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.217 1.440 -0.351 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.637 2.362 -0.900 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.826 0.678 -0.358 1.00 1.43 H new ATOM 529 N PHE A 33 6.246 1.945 1.028 1.00 0.75 N ATOM 530 CA PHE A 33 7.557 2.365 1.495 1.00 0.96 C ATOM 531 C PHE A 33 7.914 3.654 0.768 1.00 1.08 C ATOM 532 O PHE A 33 7.244 4.019 -0.198 1.00 1.56 O ATOM 533 CB PHE A 33 8.635 1.289 1.248 1.00 1.17 C ATOM 534 CG PHE A 33 8.402 0.000 1.989 1.00 1.36 C ATOM 535 CD1 PHE A 33 7.649 -1.014 1.421 1.00 1.79 C ATOM 536 CD2 PHE A 33 8.931 -0.195 3.252 1.00 2.01 C ATOM 537 CE1 PHE A 33 7.423 -2.196 2.097 1.00 2.06 C ATOM 538 CE2 PHE A 33 8.708 -1.375 3.938 1.00 2.28 C ATOM 539 CZ PHE A 33 7.950 -2.376 3.362 1.00 2.01 C ATOM 0 H PHE A 33 6.123 2.012 0.018 1.00 0.75 H new ATOM 0 HA PHE A 33 7.522 2.522 2.573 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.683 1.077 0.180 1.00 1.17 H new ATOM 0 HB3 PHE A 33 9.606 1.691 1.537 1.00 1.17 H new ATOM 0 HD1 PHE A 33 7.232 -0.878 0.434 1.00 1.79 H new ATOM 0 HD2 PHE A 33 9.525 0.583 3.708 1.00 2.01 H new ATOM 0 HE1 PHE A 33 6.836 -2.978 1.639 1.00 2.06 H new ATOM 0 HE2 PHE A 33 9.126 -1.514 4.924 1.00 2.28 H new ATOM 0 HZ PHE A 33 7.770 -3.296 3.898 1.00 2.01 H new ATOM 549 N ARG A 34 8.951 4.353 1.207 1.00 1.04 N ATOM 550 CA ARG A 34 9.335 5.604 0.553 1.00 1.17 C ATOM 551 C ARG A 34 10.075 5.318 -0.754 1.00 1.03 C ATOM 552 O ARG A 34 11.283 5.519 -0.866 1.00 1.87 O ATOM 553 CB ARG A 34 10.178 6.479 1.488 1.00 1.83 C ATOM 554 CG ARG A 34 9.918 7.973 1.316 1.00 2.51 C ATOM 555 CD ARG A 34 10.719 8.570 0.172 1.00 3.05 C ATOM 556 NE ARG A 34 11.882 9.318 0.644 1.00 3.66 N ATOM 557 CZ ARG A 34 12.789 9.866 -0.163 1.00 4.29 C ATOM 558 NH1 ARG A 34 12.674 9.736 -1.478 1.00 4.48 N ATOM 559 NH2 ARG A 34 13.809 10.550 0.345 1.00 5.12 N ATOM 0 H ARG A 34 9.535 4.085 1.999 1.00 1.04 H new ATOM 0 HA ARG A 34 8.427 6.159 0.315 1.00 1.17 H new ATOM 0 HB2 ARG A 34 9.972 6.198 2.521 1.00 1.83 H new ATOM 0 HB3 ARG A 34 11.234 6.278 1.308 1.00 1.83 H new ATOM 0 HG2 ARG A 34 8.855 8.136 1.136 1.00 2.51 H new ATOM 0 HG3 ARG A 34 10.168 8.492 2.241 1.00 2.51 H new ATOM 0 HD2 ARG A 34 11.048 7.772 -0.494 1.00 3.05 H new ATOM 0 HD3 ARG A 34 10.078 9.229 -0.413 1.00 3.05 H new ATOM 0 HE ARG A 34 12.007 9.427 1.650 1.00 3.66 H new ATOM 0 HH11 ARG A 34 11.890 9.216 -1.872 1.00 4.48 H new ATOM 0 HH12 ARG A 34 13.369 10.156 -2.095 1.00 4.48 H new ATOM 0 HH21 ARG A 34 13.899 10.656 1.355 1.00 5.12 H new ATOM 0 HH22 ARG A 34 14.502 10.968 -0.276 1.00 5.12 H new ATOM 573 N ASN A 35 9.315 4.833 -1.729 1.00 0.98 N ATOM 574 CA ASN A 35 9.835 4.494 -3.045 1.00 1.38 C ATOM 575 C ASN A 35 8.668 4.290 -3.997 1.00 1.09 C ATOM 576 O ASN A 35 8.658 4.810 -5.112 1.00 1.24 O ATOM 577 CB ASN A 35 10.692 3.221 -2.971 1.00 2.08 C ATOM 578 CG ASN A 35 11.381 2.861 -4.282 1.00 2.84 C ATOM 579 OD1 ASN A 35 11.893 1.753 -4.436 1.00 3.26 O ATOM 580 ND2 ASN A 35 11.438 3.790 -5.225 1.00 3.64 N ATOM 0 H ASN A 35 8.314 4.663 -1.626 1.00 0.98 H new ATOM 0 HA ASN A 35 10.466 5.305 -3.408 1.00 1.38 H new ATOM 0 HB2 ASN A 35 11.449 3.350 -2.198 1.00 2.08 H new ATOM 0 HB3 ASN A 35 10.061 2.388 -2.663 1.00 2.08 H new ATOM 0 HD21 ASN A 35 11.915 3.595 -6.105 1.00 3.64 H new ATOM 0 HD22 ASN A 35 11.005 4.700 -5.071 1.00 3.64 H new ATOM 587 N LYS A 36 7.664 3.555 -3.526 1.00 0.89 N ATOM 588 CA LYS A 36 6.464 3.280 -4.301 1.00 0.69 C ATOM 589 C LYS A 36 5.474 2.511 -3.446 1.00 0.66 C ATOM 590 O LYS A 36 5.720 2.278 -2.263 1.00 0.77 O ATOM 591 CB LYS A 36 6.778 2.452 -5.550 1.00 0.80 C ATOM 592 CG LYS A 36 7.248 1.034 -5.240 1.00 1.05 C ATOM 593 CD LYS A 36 7.093 0.108 -6.437 1.00 1.32 C ATOM 594 CE LYS A 36 7.652 -1.272 -6.135 1.00 1.84 C ATOM 595 NZ LYS A 36 7.461 -2.220 -7.265 1.00 2.23 N ATOM 0 H LYS A 36 7.662 3.135 -2.597 1.00 0.89 H new ATOM 0 HA LYS A 36 6.044 4.236 -4.613 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.887 2.402 -6.176 1.00 0.80 H new ATOM 0 HB3 LYS A 36 7.547 2.962 -6.130 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.294 1.058 -4.933 1.00 1.05 H new ATOM 0 HG3 LYS A 36 6.678 0.639 -4.399 1.00 1.05 H new ATOM 0 HD2 LYS A 36 6.039 0.027 -6.704 1.00 1.32 H new ATOM 0 HD3 LYS A 36 7.609 0.532 -7.299 1.00 1.32 H new ATOM 0 HE2 LYS A 36 8.715 -1.189 -5.909 1.00 1.84 H new ATOM 0 HE3 LYS A 36 7.167 -1.671 -5.244 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 7.265 -3.171 -6.891 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 6.661 -1.906 -7.850 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 8.324 -2.247 -7.845 1.00 2.23 H new ATOM 609 N ILE A 37 4.402 2.061 -4.071 1.00 0.61 N ATOM 610 CA ILE A 37 3.403 1.257 -3.394 1.00 0.60 C ATOM 611 C ILE A 37 3.667 -0.195 -3.770 1.00 0.54 C ATOM 612 O ILE A 37 3.264 -0.654 -4.845 1.00 0.75 O ATOM 613 CB ILE A 37 1.966 1.652 -3.801 1.00 0.73 C ATOM 614 CG1 ILE A 37 1.646 3.055 -3.288 1.00 0.85 C ATOM 615 CG2 ILE A 37 0.958 0.635 -3.271 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.252 3.542 -3.658 1.00 1.01 C ATOM 0 H ILE A 37 4.200 2.241 -5.055 1.00 0.61 H new ATOM 0 HA ILE A 37 3.478 1.415 -2.318 1.00 0.60 H new ATOM 0 HB ILE A 37 1.896 1.656 -4.889 1.00 0.73 H new ATOM 0 HG12 ILE A 37 1.749 3.067 -2.203 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.382 3.754 -3.686 1.00 0.85 H new ATOM 0 HG21 ILE A 37 -0.048 0.931 -3.568 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.183 -0.349 -3.682 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.018 0.596 -2.183 1.00 0.79 H new ATOM 0 HD11 ILE A 37 0.099 4.545 -3.259 1.00 1.01 H new ATOM 0 HD12 ILE A 37 0.150 3.564 -4.743 1.00 1.01 H new ATOM 0 HD13 ILE A 37 -0.493 2.867 -3.237 1.00 1.01 H new ATOM 628 N MET A 38 4.383 -0.900 -2.915 1.00 0.51 N ATOM 629 CA MET A 38 4.729 -2.285 -3.187 1.00 0.59 C ATOM 630 C MET A 38 3.707 -3.224 -2.577 1.00 0.60 C ATOM 631 O MET A 38 3.974 -3.940 -1.619 1.00 0.98 O ATOM 632 CB MET A 38 6.123 -2.596 -2.649 1.00 0.75 C ATOM 633 CG MET A 38 6.626 -3.991 -3.001 1.00 1.40 C ATOM 634 SD MET A 38 8.233 -4.366 -2.274 1.00 1.72 S ATOM 635 CE MET A 38 8.400 -6.101 -2.694 1.00 2.53 C ATOM 0 H MET A 38 4.736 -0.539 -2.029 1.00 0.51 H new ATOM 0 HA MET A 38 4.728 -2.434 -4.267 1.00 0.59 H new ATOM 0 HB2 MET A 38 6.825 -1.859 -3.039 1.00 0.75 H new ATOM 0 HB3 MET A 38 6.116 -2.486 -1.565 1.00 0.75 H new ATOM 0 HG2 MET A 38 5.899 -4.729 -2.662 1.00 1.40 H new ATOM 0 HG3 MET A 38 6.693 -4.084 -4.085 1.00 1.40 H new ATOM 0 HE1 MET A 38 9.348 -6.479 -2.311 1.00 2.53 H new ATOM 0 HE2 MET A 38 7.579 -6.664 -2.249 1.00 2.53 H new ATOM 0 HE3 MET A 38 8.375 -6.217 -3.777 1.00 2.53 H new ATOM 645 N PHE A 39 2.538 -3.225 -3.161 1.00 0.61 N ATOM 646 CA PHE A 39 1.469 -4.082 -2.706 1.00 0.71 C ATOM 647 C PHE A 39 1.367 -5.262 -3.653 1.00 0.72 C ATOM 648 O PHE A 39 1.726 -5.131 -4.818 1.00 1.08 O ATOM 649 CB PHE A 39 0.145 -3.310 -2.609 1.00 1.11 C ATOM 650 CG PHE A 39 -0.571 -3.056 -3.911 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.039 -2.225 -4.886 1.00 1.31 C ATOM 652 CD2 PHE A 39 -1.801 -3.652 -4.146 1.00 1.32 C ATOM 653 CE1 PHE A 39 -0.727 -1.997 -6.069 1.00 1.69 C ATOM 654 CE2 PHE A 39 -2.485 -3.429 -5.318 1.00 1.66 C ATOM 655 CZ PHE A 39 -1.953 -2.600 -6.280 1.00 1.57 C ATOM 0 H PHE A 39 2.298 -2.638 -3.960 1.00 0.61 H new ATOM 0 HA PHE A 39 1.685 -4.447 -1.702 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -0.526 -3.861 -1.950 1.00 1.11 H new ATOM 0 HB3 PHE A 39 0.342 -2.350 -2.133 1.00 1.11 H new ATOM 0 HD1 PHE A 39 0.918 -1.752 -4.723 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -2.229 -4.302 -3.397 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -0.306 -1.350 -6.824 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -3.440 -3.905 -5.484 1.00 1.66 H new ATOM 0 HZ PHE A 39 -2.493 -2.421 -7.198 1.00 1.57 H new ATOM 665 N THR A 40 0.907 -6.405 -3.175 1.00 0.63 N ATOM 666 CA THR A 40 0.798 -7.580 -4.027 1.00 0.74 C ATOM 667 C THR A 40 -0.588 -8.191 -3.921 1.00 0.84 C ATOM 668 O THR A 40 -1.084 -8.443 -2.825 1.00 1.16 O ATOM 669 CB THR A 40 1.870 -8.614 -3.658 1.00 0.98 C ATOM 670 OG1 THR A 40 1.941 -8.784 -2.254 1.00 1.45 O ATOM 671 CG2 THR A 40 3.261 -8.252 -4.143 1.00 1.35 C ATOM 0 H THR A 40 0.605 -6.546 -2.211 1.00 0.63 H new ATOM 0 HA THR A 40 0.959 -7.270 -5.060 1.00 0.74 H new ATOM 0 HB THR A 40 1.559 -9.532 -4.157 1.00 0.98 H new ATOM 0 HG1 THR A 40 1.046 -8.973 -1.902 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.964 -9.030 -3.845 1.00 1.35 H new ATOM 0 HG22 THR A 40 3.256 -8.164 -5.229 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.564 -7.301 -3.704 1.00 1.35 H new ATOM 679 N GLU A 41 -1.215 -8.403 -5.063 1.00 1.04 N ATOM 680 CA GLU A 41 -2.548 -8.964 -5.111 1.00 1.27 C ATOM 681 C GLU A 41 -2.564 -10.443 -4.727 1.00 1.20 C ATOM 682 O GLU A 41 -1.584 -11.162 -4.915 1.00 1.66 O ATOM 683 CB GLU A 41 -3.149 -8.795 -6.506 1.00 1.89 C ATOM 684 CG GLU A 41 -2.212 -9.186 -7.639 1.00 2.55 C ATOM 685 CD GLU A 41 -2.905 -9.236 -8.987 1.00 3.05 C ATOM 686 OE1 GLU A 41 -4.126 -9.500 -9.023 1.00 3.46 O ATOM 687 OE2 GLU A 41 -2.225 -9.062 -10.021 1.00 3.56 O ATOM 0 H GLU A 41 -0.816 -8.192 -5.977 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.148 -8.419 -4.382 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -4.055 -9.397 -6.575 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -3.447 -7.755 -6.638 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -1.389 -8.473 -7.685 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -1.777 -10.162 -7.423 1.00 2.55 H new ATOM 694 N GLN A 42 -3.708 -10.875 -4.208 1.00 1.08 N ATOM 695 CA GLN A 42 -3.942 -12.249 -3.807 1.00 1.24 C ATOM 696 C GLN A 42 -5.421 -12.537 -4.038 1.00 1.37 C ATOM 697 O GLN A 42 -6.230 -11.605 -4.059 1.00 1.84 O ATOM 698 CB GLN A 42 -3.563 -12.459 -2.336 1.00 1.58 C ATOM 699 CG GLN A 42 -3.706 -13.893 -1.860 1.00 2.34 C ATOM 700 CD GLN A 42 -2.836 -14.857 -2.649 1.00 2.87 C ATOM 701 OE1 GLN A 42 -1.658 -14.593 -2.888 1.00 3.26 O ATOM 702 NE2 GLN A 42 -3.407 -15.986 -3.045 1.00 3.46 N ATOM 0 H GLN A 42 -4.511 -10.265 -4.053 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.325 -12.932 -4.391 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -2.532 -12.139 -2.188 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -4.188 -11.817 -1.715 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -3.441 -13.950 -0.804 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -4.749 -14.198 -1.944 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -4.387 -16.166 -2.826 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -2.867 -16.675 -3.569 1.00 3.46 H new ATOM 711 N ASP A 43 -5.793 -13.790 -4.232 1.00 1.32 N ATOM 712 CA ASP A 43 -7.190 -14.111 -4.475 1.00 1.60 C ATOM 713 C ASP A 43 -7.657 -15.214 -3.536 1.00 1.62 C ATOM 714 O ASP A 43 -7.545 -16.404 -3.835 1.00 1.97 O ATOM 715 CB ASP A 43 -7.413 -14.492 -5.941 1.00 2.08 C ATOM 716 CG ASP A 43 -8.814 -14.151 -6.424 1.00 2.50 C ATOM 717 OD1 ASP A 43 -9.713 -13.974 -5.578 1.00 2.87 O ATOM 718 OD2 ASP A 43 -9.015 -14.054 -7.657 1.00 2.96 O ATOM 0 H ASP A 43 -5.160 -14.590 -4.227 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.789 -13.224 -4.271 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -6.682 -13.975 -6.563 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -7.239 -15.561 -6.066 1.00 2.08 H new ATOM 723 N ALA A 44 -8.182 -14.799 -2.392 1.00 1.87 N ATOM 724 CA ALA A 44 -8.680 -15.711 -1.377 1.00 2.28 C ATOM 725 C ALA A 44 -10.035 -15.219 -0.877 1.00 2.75 C ATOM 726 O ALA A 44 -10.374 -14.048 -1.077 1.00 3.39 O ATOM 727 CB ALA A 44 -7.685 -15.817 -0.230 1.00 2.82 C ATOM 0 H ALA A 44 -8.274 -13.814 -2.142 1.00 1.87 H new ATOM 0 HA ALA A 44 -8.802 -16.704 -1.808 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -8.070 -16.504 0.524 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -6.733 -16.190 -0.608 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -7.538 -14.833 0.216 1.00 2.82 H new ATOM 733 N SER A 45 -10.802 -16.114 -0.244 1.00 3.20 N ATOM 734 CA SER A 45 -12.133 -15.795 0.273 1.00 4.25 C ATOM 735 C SER A 45 -13.108 -15.590 -0.890 1.00 4.77 C ATOM 736 O SER A 45 -14.170 -14.979 -0.747 1.00 5.30 O ATOM 737 CB SER A 45 -12.094 -14.569 1.185 1.00 4.93 C ATOM 738 OG SER A 45 -11.159 -14.757 2.242 1.00 5.22 O ATOM 0 H SER A 45 -10.516 -17.079 -0.077 1.00 3.20 H new ATOM 0 HA SER A 45 -12.482 -16.634 0.876 1.00 4.25 H new ATOM 0 HB2 SER A 45 -11.822 -13.687 0.605 1.00 4.93 H new ATOM 0 HB3 SER A 45 -13.086 -14.386 1.599 1.00 4.93 H new ATOM 0 HG SER A 45 -11.084 -13.931 2.764 1.00 5.22 H new ATOM 744 N THR A 46 -12.726 -16.122 -2.041 1.00 5.00 N ATOM 745 CA THR A 46 -13.518 -16.040 -3.252 1.00 5.82 C ATOM 746 C THR A 46 -13.714 -17.452 -3.802 1.00 5.62 C ATOM 747 O THR A 46 -13.648 -18.423 -3.046 1.00 5.88 O ATOM 748 CB THR A 46 -12.797 -15.140 -4.267 1.00 6.59 C ATOM 749 OG1 THR A 46 -11.496 -15.636 -4.534 1.00 6.31 O ATOM 750 CG2 THR A 46 -12.649 -13.705 -3.806 1.00 7.39 C ATOM 0 H THR A 46 -11.848 -16.627 -2.159 1.00 5.00 H new ATOM 0 HA THR A 46 -14.496 -15.605 -3.048 1.00 5.82 H new ATOM 0 HB THR A 46 -13.424 -15.154 -5.159 1.00 6.59 H new ATOM 0 HG1 THR A 46 -10.899 -14.889 -4.748 1.00 6.31 H new ATOM 0 HG21 THR A 46 -12.131 -13.128 -4.572 1.00 7.39 H new ATOM 0 HG22 THR A 46 -13.635 -13.275 -3.633 1.00 7.39 H new ATOM 0 HG23 THR A 46 -12.074 -13.678 -2.881 1.00 7.39 H new ATOM 758 N SER A 47 -13.925 -17.578 -5.100 1.00 5.54 N ATOM 759 CA SER A 47 -14.097 -18.887 -5.708 1.00 5.68 C ATOM 760 C SER A 47 -12.823 -19.296 -6.459 1.00 5.14 C ATOM 761 O SER A 47 -12.234 -20.337 -6.152 1.00 5.00 O ATOM 762 CB SER A 47 -15.317 -18.900 -6.629 1.00 6.41 C ATOM 763 OG SER A 47 -16.463 -18.391 -5.959 1.00 6.89 O ATOM 0 H SER A 47 -13.981 -16.795 -5.751 1.00 5.54 H new ATOM 0 HA SER A 47 -14.273 -19.619 -4.920 1.00 5.68 H new ATOM 0 HB2 SER A 47 -15.114 -18.301 -7.517 1.00 6.41 H new ATOM 0 HB3 SER A 47 -15.511 -19.918 -6.968 1.00 6.41 H new ATOM 0 HG SER A 47 -17.231 -18.407 -6.567 1.00 6.89 H new ATOM 769 N PRO A 48 -12.345 -18.490 -7.434 1.00 5.23 N ATOM 770 CA PRO A 48 -11.125 -18.799 -8.160 1.00 5.13 C ATOM 771 C PRO A 48 -9.904 -18.233 -7.434 1.00 4.48 C ATOM 772 O PRO A 48 -9.834 -17.038 -7.161 1.00 4.75 O ATOM 773 CB PRO A 48 -11.345 -18.102 -9.500 1.00 5.87 C ATOM 774 CG PRO A 48 -12.207 -16.921 -9.195 1.00 6.34 C ATOM 775 CD PRO A 48 -12.924 -17.210 -7.894 1.00 5.91 C ATOM 0 HA PRO A 48 -10.934 -19.868 -8.259 1.00 5.13 H new ATOM 0 HB2 PRO A 48 -10.398 -17.793 -9.943 1.00 5.87 H new ATOM 0 HB3 PRO A 48 -11.829 -18.768 -10.215 1.00 5.87 H new ATOM 0 HG2 PRO A 48 -11.604 -16.017 -9.109 1.00 6.34 H new ATOM 0 HG3 PRO A 48 -12.923 -16.750 -9.999 1.00 6.34 H new ATOM 0 HD2 PRO A 48 -12.762 -16.416 -7.166 1.00 5.91 H new ATOM 0 HD3 PRO A 48 -14.001 -17.291 -8.043 1.00 5.91 H new ATOM 783 N PRO A 49 -8.934 -19.083 -7.080 1.00 4.08 N ATOM 784 CA PRO A 49 -7.741 -18.649 -6.361 1.00 3.90 C ATOM 785 C PRO A 49 -6.652 -18.125 -7.296 1.00 3.66 C ATOM 786 O PRO A 49 -6.885 -17.959 -8.496 1.00 4.13 O ATOM 787 CB PRO A 49 -7.297 -19.937 -5.673 1.00 4.20 C ATOM 788 CG PRO A 49 -7.673 -21.016 -6.636 1.00 4.54 C ATOM 789 CD PRO A 49 -8.926 -20.540 -7.330 1.00 4.40 C ATOM 0 HA PRO A 49 -7.934 -17.819 -5.681 1.00 3.90 H new ATOM 0 HB2 PRO A 49 -6.225 -19.934 -5.477 1.00 4.20 H new ATOM 0 HB3 PRO A 49 -7.796 -20.068 -4.713 1.00 4.20 H new ATOM 0 HG2 PRO A 49 -6.873 -21.193 -7.355 1.00 4.54 H new ATOM 0 HG3 PRO A 49 -7.849 -21.958 -6.117 1.00 4.54 H new ATOM 0 HD2 PRO A 49 -8.902 -20.763 -8.397 1.00 4.40 H new ATOM 0 HD3 PRO A 49 -9.816 -21.021 -6.924 1.00 4.40 H new ATOM 797 N SER A 50 -5.472 -17.873 -6.723 1.00 3.25 N ATOM 798 CA SER A 50 -4.302 -17.364 -7.453 1.00 3.42 C ATOM 799 C SER A 50 -4.505 -15.915 -7.901 1.00 2.88 C ATOM 800 O SER A 50 -5.604 -15.506 -8.265 1.00 3.28 O ATOM 801 CB SER A 50 -3.973 -18.256 -8.655 1.00 4.28 C ATOM 802 OG SER A 50 -2.685 -17.960 -9.171 1.00 4.85 O ATOM 0 H SER A 50 -5.298 -18.017 -5.728 1.00 3.25 H new ATOM 0 HA SER A 50 -3.456 -17.386 -6.765 1.00 3.42 H new ATOM 0 HB2 SER A 50 -4.017 -19.304 -8.358 1.00 4.28 H new ATOM 0 HB3 SER A 50 -4.722 -18.114 -9.434 1.00 4.28 H new ATOM 0 HG SER A 50 -2.497 -18.543 -9.936 1.00 4.85 H new ATOM 808 N TYR A 51 -3.427 -15.140 -7.867 1.00 2.46 N ATOM 809 CA TYR A 51 -3.474 -13.738 -8.260 1.00 2.13 C ATOM 810 C TYR A 51 -3.042 -13.563 -9.709 1.00 2.52 C ATOM 811 O TYR A 51 -2.578 -14.510 -10.350 1.00 3.20 O ATOM 812 CB TYR A 51 -2.610 -12.893 -7.316 1.00 2.21 C ATOM 813 CG TYR A 51 -1.184 -13.373 -7.151 1.00 2.58 C ATOM 814 CD1 TYR A 51 -0.865 -14.339 -6.202 1.00 2.99 C ATOM 815 CD2 TYR A 51 -0.160 -12.866 -7.938 1.00 3.33 C ATOM 816 CE1 TYR A 51 0.434 -14.781 -6.039 1.00 3.82 C ATOM 817 CE2 TYR A 51 1.146 -13.302 -7.782 1.00 4.15 C ATOM 818 CZ TYR A 51 1.437 -14.262 -6.832 1.00 4.30 C ATOM 819 OH TYR A 51 2.737 -14.698 -6.674 1.00 5.34 O ATOM 0 H TYR A 51 -2.506 -15.462 -7.570 1.00 2.46 H new ATOM 0 HA TYR A 51 -4.504 -13.391 -8.182 1.00 2.13 H new ATOM 0 HB2 TYR A 51 -2.592 -11.868 -7.685 1.00 2.21 H new ATOM 0 HB3 TYR A 51 -3.085 -12.870 -6.335 1.00 2.21 H new ATOM 0 HD1 TYR A 51 -1.647 -14.751 -5.581 1.00 2.99 H new ATOM 0 HD2 TYR A 51 -0.385 -12.119 -8.685 1.00 3.33 H new ATOM 0 HE1 TYR A 51 0.663 -15.529 -5.295 1.00 3.82 H new ATOM 0 HE2 TYR A 51 1.932 -12.894 -8.400 1.00 4.15 H new ATOM 0 HH TYR A 51 3.318 -14.232 -7.311 1.00 5.34 H new ATOM 829 N THR A 52 -3.227 -12.361 -10.229 1.00 2.67 N ATOM 830 CA THR A 52 -2.886 -12.071 -11.614 1.00 3.45 C ATOM 831 C THR A 52 -1.381 -11.916 -11.815 1.00 3.24 C ATOM 832 O THR A 52 -0.780 -12.653 -12.593 1.00 3.53 O ATOM 833 CB THR A 52 -3.597 -10.801 -12.076 1.00 4.25 C ATOM 834 OG1 THR A 52 -4.789 -10.590 -11.327 1.00 4.76 O ATOM 835 CG2 THR A 52 -3.980 -10.834 -13.538 1.00 4.89 C ATOM 0 H THR A 52 -3.612 -11.569 -9.714 1.00 2.67 H new ATOM 0 HA THR A 52 -3.217 -12.920 -12.212 1.00 3.45 H new ATOM 0 HB THR A 52 -2.882 -9.994 -11.918 1.00 4.25 H new ATOM 0 HG1 THR A 52 -4.648 -9.863 -10.685 1.00 4.76 H new ATOM 0 HG21 THR A 52 -4.481 -9.903 -13.804 1.00 4.89 H new ATOM 0 HG22 THR A 52 -3.083 -10.950 -14.147 1.00 4.89 H new ATOM 0 HG23 THR A 52 -4.652 -11.673 -13.719 1.00 4.89 H new ATOM 843 N HIS A 53 -0.775 -10.936 -11.149 1.00 3.23 N ATOM 844 CA HIS A 53 0.655 -10.679 -11.301 1.00 3.30 C ATOM 845 C HIS A 53 1.200 -9.900 -10.102 1.00 2.67 C ATOM 846 O HIS A 53 0.527 -9.779 -9.082 1.00 3.21 O ATOM 847 CB HIS A 53 0.884 -9.889 -12.601 1.00 4.24 C ATOM 848 CG HIS A 53 0.492 -8.436 -12.541 1.00 4.85 C ATOM 849 ND1 HIS A 53 -0.693 -7.985 -11.992 1.00 5.28 N ATOM 850 CD2 HIS A 53 1.134 -7.336 -12.999 1.00 5.52 C ATOM 851 CE1 HIS A 53 -0.762 -6.675 -12.122 1.00 6.09 C ATOM 852 NE2 HIS A 53 0.333 -6.253 -12.726 1.00 6.21 N ATOM 0 H HIS A 53 -1.250 -10.308 -10.501 1.00 3.23 H new ATOM 0 HA HIS A 53 1.187 -11.629 -11.349 1.00 3.30 H new ATOM 0 HB2 HIS A 53 1.939 -9.954 -12.867 1.00 4.24 H new ATOM 0 HB3 HIS A 53 0.323 -10.368 -13.403 1.00 4.24 H new ATOM 0 HD1 HIS A 53 -1.403 -8.573 -11.555 1.00 5.28 H new ATOM 0 HD2 HIS A 53 2.097 -7.313 -13.488 1.00 5.52 H new ATOM 0 HE1 HIS A 53 -1.578 -6.051 -11.790 1.00 6.09 H new ATOM 861 N TYR A 54 2.401 -9.350 -10.237 1.00 2.10 N ATOM 862 CA TYR A 54 2.998 -8.560 -9.169 1.00 2.00 C ATOM 863 C TYR A 54 2.538 -7.114 -9.279 1.00 1.62 C ATOM 864 O TYR A 54 2.905 -6.402 -10.214 1.00 1.96 O ATOM 865 CB TYR A 54 4.527 -8.626 -9.211 1.00 2.78 C ATOM 866 CG TYR A 54 5.086 -9.963 -8.798 1.00 3.45 C ATOM 867 CD1 TYR A 54 4.794 -10.502 -7.549 1.00 3.89 C ATOM 868 CD2 TYR A 54 5.915 -10.683 -9.646 1.00 4.24 C ATOM 869 CE1 TYR A 54 5.316 -11.718 -7.161 1.00 4.87 C ATOM 870 CE2 TYR A 54 6.439 -11.901 -9.262 1.00 5.15 C ATOM 871 CZ TYR A 54 6.139 -12.413 -8.016 1.00 5.40 C ATOM 872 OH TYR A 54 6.649 -13.627 -7.629 1.00 6.50 O ATOM 0 H TYR A 54 2.979 -9.437 -11.073 1.00 2.10 H new ATOM 0 HA TYR A 54 2.671 -8.977 -8.217 1.00 2.00 H new ATOM 0 HB2 TYR A 54 4.864 -8.397 -10.222 1.00 2.78 H new ATOM 0 HB3 TYR A 54 4.933 -7.854 -8.557 1.00 2.78 H new ATOM 0 HD1 TYR A 54 4.149 -9.960 -6.873 1.00 3.89 H new ATOM 0 HD2 TYR A 54 6.154 -10.285 -10.621 1.00 4.24 H new ATOM 0 HE1 TYR A 54 5.079 -12.123 -6.188 1.00 4.87 H new ATOM 0 HE2 TYR A 54 7.081 -12.451 -9.934 1.00 5.15 H new ATOM 0 HH TYR A 54 7.210 -13.990 -8.346 1.00 6.50 H new ATOM 882 N SER A 55 1.713 -6.698 -8.337 1.00 1.34 N ATOM 883 CA SER A 55 1.177 -5.352 -8.319 1.00 1.50 C ATOM 884 C SER A 55 2.275 -4.326 -8.026 1.00 1.20 C ATOM 885 O SER A 55 3.207 -4.604 -7.276 1.00 1.33 O ATOM 886 CB SER A 55 0.085 -5.273 -7.261 1.00 2.13 C ATOM 887 OG SER A 55 -0.682 -6.463 -7.238 1.00 2.61 O ATOM 0 H SER A 55 1.396 -7.283 -7.564 1.00 1.34 H new ATOM 0 HA SER A 55 0.762 -5.120 -9.300 1.00 1.50 H new ATOM 0 HB2 SER A 55 0.533 -5.105 -6.282 1.00 2.13 H new ATOM 0 HB3 SER A 55 -0.564 -4.421 -7.465 1.00 2.13 H new ATOM 0 HG SER A 55 -1.350 -6.435 -7.954 1.00 2.61 H new ATOM 893 N SER A 56 2.156 -3.149 -8.621 1.00 1.07 N ATOM 894 CA SER A 56 3.130 -2.087 -8.428 1.00 0.91 C ATOM 895 C SER A 56 2.534 -0.738 -8.827 1.00 0.80 C ATOM 896 O SER A 56 1.913 -0.617 -9.885 1.00 0.93 O ATOM 897 CB SER A 56 4.393 -2.363 -9.254 1.00 1.09 C ATOM 898 OG SER A 56 5.399 -1.388 -9.016 1.00 1.73 O ATOM 0 H SER A 56 1.388 -2.905 -9.246 1.00 1.07 H new ATOM 0 HA SER A 56 3.398 -2.056 -7.372 1.00 0.91 H new ATOM 0 HB2 SER A 56 4.779 -3.352 -9.009 1.00 1.09 H new ATOM 0 HB3 SER A 56 4.140 -2.374 -10.314 1.00 1.09 H new ATOM 0 HG SER A 56 6.158 -1.549 -9.614 1.00 1.73 H new ATOM 904 N ILE A 57 2.720 0.272 -7.978 1.00 0.68 N ATOM 905 CA ILE A 57 2.210 1.616 -8.240 1.00 0.67 C ATOM 906 C ILE A 57 3.287 2.656 -7.950 1.00 0.63 C ATOM 907 O ILE A 57 4.059 2.514 -6.994 1.00 0.81 O ATOM 908 CB ILE A 57 0.930 1.907 -7.415 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.249 1.104 -7.976 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.607 3.400 -7.401 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.570 1.437 -7.348 1.00 0.81 C ATOM 0 H ILE A 57 3.224 0.183 -7.096 1.00 0.68 H new ATOM 0 HA ILE A 57 1.941 1.675 -9.295 1.00 0.67 H new ATOM 0 HB ILE A 57 1.110 1.599 -6.385 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.315 1.278 -9.050 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -0.050 0.041 -7.837 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.296 3.571 -6.815 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.438 3.948 -6.957 1.00 0.82 H new ATOM 0 HG23 ILE A 57 0.448 3.747 -8.422 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.352 0.826 -7.800 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.525 1.236 -6.278 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -1.794 2.491 -7.510 1.00 0.81 H new ATOM 923 N ARG A 58 3.311 3.722 -8.751 1.00 0.66 N ATOM 924 CA ARG A 58 4.260 4.808 -8.589 1.00 0.73 C ATOM 925 C ARG A 58 3.628 5.828 -7.664 1.00 0.75 C ATOM 926 O ARG A 58 2.405 5.902 -7.573 1.00 0.91 O ATOM 927 CB ARG A 58 4.532 5.461 -9.961 1.00 0.96 C ATOM 928 CG ARG A 58 5.945 5.974 -10.199 1.00 1.24 C ATOM 929 CD ARG A 58 6.378 7.025 -9.193 1.00 1.86 C ATOM 930 NE ARG A 58 7.595 7.727 -9.614 1.00 2.47 N ATOM 931 CZ ARG A 58 8.081 8.810 -9.002 1.00 2.95 C ATOM 932 NH1 ARG A 58 7.577 9.202 -7.841 1.00 3.22 N ATOM 933 NH2 ARG A 58 9.170 9.401 -9.473 1.00 3.70 N ATOM 0 H ARG A 58 2.667 3.851 -9.532 1.00 0.66 H new ATOM 0 HA ARG A 58 5.201 4.442 -8.179 1.00 0.73 H new ATOM 0 HB2 ARG A 58 4.298 4.733 -10.738 1.00 0.96 H new ATOM 0 HB3 ARG A 58 3.841 6.294 -10.086 1.00 0.96 H new ATOM 0 HG2 ARG A 58 6.640 5.135 -10.160 1.00 1.24 H new ATOM 0 HG3 ARG A 58 6.008 6.394 -11.203 1.00 1.24 H new ATOM 0 HD2 ARG A 58 5.573 7.747 -9.056 1.00 1.86 H new ATOM 0 HD3 ARG A 58 6.550 6.551 -8.226 1.00 1.86 H new ATOM 0 HE ARG A 58 8.101 7.366 -10.423 1.00 2.47 H new ATOM 0 HH11 ARG A 58 6.816 8.676 -7.412 1.00 3.22 H new ATOM 0 HH12 ARG A 58 7.951 10.030 -7.376 1.00 3.22 H new ATOM 0 HH21 ARG A 58 9.635 9.029 -10.301 1.00 3.70 H new ATOM 0 HH22 ARG A 58 9.543 10.228 -9.007 1.00 3.70 H new ATOM 947 N LEU A 59 4.420 6.664 -7.025 1.00 0.85 N ATOM 948 CA LEU A 59 3.877 7.697 -6.182 1.00 1.02 C ATOM 949 C LEU A 59 4.089 9.025 -6.884 1.00 1.15 C ATOM 950 O LEU A 59 4.504 10.007 -6.275 1.00 1.59 O ATOM 951 CB LEU A 59 4.562 7.715 -4.816 1.00 1.28 C ATOM 952 CG LEU A 59 4.454 6.424 -4.015 1.00 1.35 C ATOM 953 CD1 LEU A 59 5.328 6.509 -2.774 1.00 1.79 C ATOM 954 CD2 LEU A 59 3.012 6.136 -3.635 1.00 1.35 C ATOM 0 H LEU A 59 5.439 6.645 -7.076 1.00 0.85 H new ATOM 0 HA LEU A 59 2.817 7.511 -6.012 1.00 1.02 H new ATOM 0 HB2 LEU A 59 5.617 7.946 -4.961 1.00 1.28 H new ATOM 0 HB3 LEU A 59 4.136 8.526 -4.225 1.00 1.28 H new ATOM 0 HG LEU A 59 4.804 5.601 -4.638 1.00 1.35 H new ATOM 0 HD11 LEU A 59 5.245 5.582 -2.207 1.00 1.79 H new ATOM 0 HD12 LEU A 59 6.366 6.662 -3.070 1.00 1.79 H new ATOM 0 HD13 LEU A 59 5.000 7.344 -2.155 1.00 1.79 H new ATOM 0 HD21 LEU A 59 2.964 5.209 -3.064 1.00 1.35 H new ATOM 0 HD22 LEU A 59 2.625 6.955 -3.029 1.00 1.35 H new ATOM 0 HD23 LEU A 59 2.410 6.037 -4.539 1.00 1.35 H new ATOM 966 N ASP A 60 3.842 9.018 -8.187 1.00 1.13 N ATOM 967 CA ASP A 60 4.022 10.207 -9.008 1.00 1.33 C ATOM 968 C ASP A 60 2.669 10.856 -9.289 1.00 1.33 C ATOM 969 O ASP A 60 2.270 11.780 -8.581 1.00 1.56 O ATOM 970 CB ASP A 60 4.760 9.815 -10.294 1.00 1.46 C ATOM 971 CG ASP A 60 5.218 10.998 -11.132 1.00 1.90 C ATOM 972 OD1 ASP A 60 4.370 11.752 -11.633 1.00 2.52 O ATOM 973 OD2 ASP A 60 6.442 11.164 -11.303 1.00 2.27 O ATOM 0 H ASP A 60 3.515 8.199 -8.699 1.00 1.13 H new ATOM 0 HA ASP A 60 4.627 10.947 -8.483 1.00 1.33 H new ATOM 0 HB2 ASP A 60 5.629 9.211 -10.032 1.00 1.46 H new ATOM 0 HB3 ASP A 60 4.106 9.187 -10.899 1.00 1.46 H new ATOM 978 N LYS A 61 1.949 10.366 -10.293 1.00 1.22 N ATOM 979 CA LYS A 61 0.641 10.922 -10.608 1.00 1.28 C ATOM 980 C LYS A 61 -0.475 9.986 -10.160 1.00 1.06 C ATOM 981 O LYS A 61 -1.131 9.343 -10.981 1.00 1.27 O ATOM 982 CB LYS A 61 0.498 11.210 -12.098 1.00 1.60 C ATOM 983 CG LYS A 61 1.576 12.111 -12.642 1.00 1.93 C ATOM 984 CD LYS A 61 1.519 12.201 -14.153 1.00 2.55 C ATOM 985 CE LYS A 61 2.729 12.930 -14.696 1.00 3.16 C ATOM 986 NZ LYS A 61 3.995 12.267 -14.294 1.00 3.92 N ATOM 0 H LYS A 61 2.245 9.596 -10.894 1.00 1.22 H new ATOM 0 HA LYS A 61 0.557 11.863 -10.064 1.00 1.28 H new ATOM 0 HB2 LYS A 61 0.513 10.267 -12.645 1.00 1.60 H new ATOM 0 HB3 LYS A 61 -0.474 11.669 -12.280 1.00 1.60 H new ATOM 0 HG2 LYS A 61 1.468 13.107 -12.213 1.00 1.93 H new ATOM 0 HG3 LYS A 61 2.553 11.736 -12.336 1.00 1.93 H new ATOM 0 HD2 LYS A 61 1.471 11.199 -14.580 1.00 2.55 H new ATOM 0 HD3 LYS A 61 0.610 12.720 -14.456 1.00 2.55 H new ATOM 0 HE2 LYS A 61 2.670 12.973 -15.784 1.00 3.16 H new ATOM 0 HE3 LYS A 61 2.726 13.959 -14.335 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 4.784 12.665 -14.842 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 4.163 12.425 -13.280 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 3.926 11.246 -14.478 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.702 9.931 -8.865 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.759 9.105 -8.317 1.00 0.69 C ATOM 1002 C TYR A 62 -2.520 9.944 -7.293 1.00 0.67 C ATOM 1003 O TYR A 62 -1.918 10.558 -6.416 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.180 7.801 -7.734 1.00 0.70 C ATOM 1005 CG TYR A 62 -0.724 7.879 -6.296 1.00 0.74 C ATOM 1006 CD1 TYR A 62 0.500 8.440 -5.972 1.00 1.46 C ATOM 1007 CD2 TYR A 62 -1.522 7.397 -5.268 1.00 1.49 C ATOM 1008 CE1 TYR A 62 0.922 8.516 -4.660 1.00 1.79 C ATOM 1009 CE2 TYR A 62 -1.106 7.468 -3.951 1.00 1.84 C ATOM 1010 CZ TYR A 62 0.117 8.029 -3.654 1.00 1.66 C ATOM 1011 OH TYR A 62 0.534 8.098 -2.344 1.00 2.21 O ATOM 0 H TYR A 62 -0.167 10.450 -8.169 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.459 8.790 -9.091 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -1.936 7.020 -7.816 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.335 7.492 -8.349 1.00 0.70 H new ATOM 0 HD1 TYR A 62 1.134 8.824 -6.758 1.00 1.46 H new ATOM 0 HD2 TYR A 62 -2.482 6.960 -5.500 1.00 1.49 H new ATOM 0 HE1 TYR A 62 1.880 8.956 -4.423 1.00 1.79 H new ATOM 0 HE2 TYR A 62 -1.735 7.086 -3.161 1.00 1.84 H new ATOM 0 HH TYR A 62 -0.153 7.711 -1.761 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.837 10.024 -7.442 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.643 10.842 -6.547 1.00 0.73 C ATOM 1023 C ASN A 63 -5.171 10.008 -5.406 1.00 0.64 C ATOM 1024 O ASN A 63 -6.160 9.292 -5.539 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.794 11.497 -7.298 1.00 0.89 C ATOM 1026 CG ASN A 63 -6.623 12.410 -6.416 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -6.111 13.348 -5.807 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -7.918 12.150 -6.363 1.00 2.13 N ATOM 0 H ASN A 63 -4.364 9.537 -8.167 1.00 0.64 H new ATOM 0 HA ASN A 63 -4.007 11.630 -6.142 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.397 12.070 -8.136 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.436 10.723 -7.718 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -8.534 12.738 -5.801 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -8.302 11.361 -6.884 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.486 10.093 -4.298 1.00 0.74 N ATOM 1036 CA ILE A 64 -4.850 9.336 -3.123 1.00 0.70 C ATOM 1037 C ILE A 64 -5.560 10.214 -2.092 1.00 0.79 C ATOM 1038 O ILE A 64 -5.155 11.344 -1.809 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.594 8.648 -2.517 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -3.971 7.468 -1.623 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -2.721 9.631 -1.751 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -4.262 7.833 -0.187 1.00 1.18 C ATOM 0 H ILE A 64 -3.663 10.685 -4.181 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.555 8.559 -3.420 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.015 8.267 -3.359 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -4.848 6.976 -2.044 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -3.159 6.741 -1.642 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -1.855 9.108 -1.345 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.386 10.420 -2.424 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.296 10.069 -0.935 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.520 6.934 0.372 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -3.380 8.295 0.257 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -5.096 8.534 -0.152 1.00 1.18 H new ATOM 1054 N ARG A 65 -6.623 9.672 -1.534 1.00 0.69 N ATOM 1055 CA ARG A 65 -7.401 10.352 -0.521 1.00 0.80 C ATOM 1056 C ARG A 65 -7.884 9.354 0.509 1.00 0.68 C ATOM 1057 O ARG A 65 -8.310 8.250 0.183 1.00 0.71 O ATOM 1058 CB ARG A 65 -8.587 11.114 -1.110 1.00 0.97 C ATOM 1059 CG ARG A 65 -9.350 10.362 -2.192 1.00 1.24 C ATOM 1060 CD ARG A 65 -10.856 10.505 -2.016 1.00 1.78 C ATOM 1061 NE ARG A 65 -11.253 11.900 -1.799 1.00 2.20 N ATOM 1062 CZ ARG A 65 -12.516 12.308 -1.687 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -13.501 11.534 -2.126 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -12.771 13.580 -1.399 1.00 3.57 N ATOM 0 H ARG A 65 -6.972 8.744 -1.772 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.750 11.088 -0.049 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.277 11.364 -0.304 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -8.227 12.055 -1.525 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -9.060 10.740 -3.172 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -9.078 9.307 -2.164 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -11.363 10.117 -2.900 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -11.181 9.900 -1.170 1.00 1.78 H new ATOM 0 HE ARG A 65 -10.516 12.602 -1.729 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -13.290 10.630 -2.548 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -14.469 11.844 -2.042 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -12.002 14.237 -1.265 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -13.736 13.900 -1.312 1.00 3.57 H new ATOM 1078 N GLN A 66 -7.789 9.741 1.756 1.00 0.82 N ATOM 1079 CA GLN A 66 -8.199 8.883 2.844 1.00 0.83 C ATOM 1080 C GLN A 66 -9.337 9.522 3.624 1.00 0.99 C ATOM 1081 O GLN A 66 -9.256 10.685 4.021 1.00 1.30 O ATOM 1082 CB GLN A 66 -6.998 8.557 3.753 1.00 0.97 C ATOM 1083 CG GLN A 66 -5.900 9.617 3.761 1.00 1.30 C ATOM 1084 CD GLN A 66 -6.330 10.931 4.386 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -6.724 10.976 5.552 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -6.250 12.006 3.617 1.00 2.45 N ATOM 0 H GLN A 66 -7.429 10.650 2.046 1.00 0.82 H new ATOM 0 HA GLN A 66 -8.568 7.943 2.434 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -7.358 8.418 4.772 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -6.566 7.608 3.436 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -5.037 9.231 4.304 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -5.576 9.800 2.737 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -5.918 11.922 2.656 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -6.521 12.918 3.985 1.00 2.45 H new ATOM 1095 N HIS A 67 -10.400 8.760 3.839 1.00 0.94 N ATOM 1096 CA HIS A 67 -11.550 9.257 4.583 1.00 1.14 C ATOM 1097 C HIS A 67 -11.136 9.603 6.006 1.00 1.30 C ATOM 1098 O HIS A 67 -10.776 8.726 6.788 1.00 1.32 O ATOM 1099 CB HIS A 67 -12.695 8.238 4.555 1.00 1.28 C ATOM 1100 CG HIS A 67 -13.549 8.342 3.324 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -14.489 9.332 3.149 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.576 7.598 2.191 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -15.057 9.192 1.966 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -14.522 8.149 1.366 1.00 1.61 N ATOM 0 H HIS A 67 -10.491 7.799 3.510 1.00 0.94 H new ATOM 0 HA HIS A 67 -11.917 10.167 4.108 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -12.279 7.232 4.617 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -13.320 8.380 5.436 1.00 1.28 H new ATOM 0 HD1 HIS A 67 -14.712 10.060 3.828 1.00 1.60 H new ATOM 0 HD2 HIS A 67 -12.966 6.733 1.978 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -15.830 9.826 1.559 1.00 1.79 H new ATOM 1113 N THR A 68 -11.135 10.895 6.305 1.00 1.74 N ATOM 1114 CA THR A 68 -10.705 11.394 7.606 1.00 2.04 C ATOM 1115 C THR A 68 -11.815 11.283 8.668 1.00 1.92 C ATOM 1116 O THR A 68 -12.638 10.374 8.619 1.00 2.16 O ATOM 1117 CB THR A 68 -10.248 12.843 7.437 1.00 2.74 C ATOM 1118 OG1 THR A 68 -9.793 13.067 6.108 1.00 3.12 O ATOM 1119 CG2 THR A 68 -9.123 13.233 8.368 1.00 3.23 C ATOM 0 H THR A 68 -11.431 11.625 5.656 1.00 1.74 H new ATOM 0 HA THR A 68 -9.880 10.780 7.967 1.00 2.04 H new ATOM 0 HB THR A 68 -11.121 13.451 7.674 1.00 2.74 H new ATOM 0 HG1 THR A 68 -9.505 13.999 6.014 1.00 3.12 H new ATOM 0 HG21 THR A 68 -8.850 14.274 8.193 1.00 3.23 H new ATOM 0 HG22 THR A 68 -9.448 13.112 9.402 1.00 3.23 H new ATOM 0 HG23 THR A 68 -8.259 12.595 8.182 1.00 3.23 H new ATOM 1127 N THR A 69 -11.827 12.235 9.610 1.00 2.34 N ATOM 1128 CA THR A 69 -12.821 12.275 10.687 1.00 2.58 C ATOM 1129 C THR A 69 -12.870 10.931 11.436 1.00 2.35 C ATOM 1130 O THR A 69 -11.839 10.450 11.917 1.00 2.76 O ATOM 1131 CB THR A 69 -14.185 12.673 10.122 1.00 3.11 C ATOM 1132 OG1 THR A 69 -14.038 13.746 9.210 1.00 3.61 O ATOM 1133 CG2 THR A 69 -15.179 13.121 11.176 1.00 3.69 C ATOM 0 H THR A 69 -11.149 12.997 9.646 1.00 2.34 H new ATOM 0 HA THR A 69 -12.531 13.031 11.416 1.00 2.58 H new ATOM 0 HB THR A 69 -14.572 11.773 9.645 1.00 3.11 H new ATOM 0 HG1 THR A 69 -14.916 13.993 8.852 1.00 3.61 H new ATOM 0 HG21 THR A 69 -16.122 13.387 10.698 1.00 3.69 H new ATOM 0 HG22 THR A 69 -15.348 12.310 11.885 1.00 3.69 H new ATOM 0 HG23 THR A 69 -14.783 13.988 11.704 1.00 3.69 H new ATOM 1141 N ASP A 70 -14.052 10.318 11.527 1.00 2.34 N ATOM 1142 CA ASP A 70 -14.196 9.035 12.207 1.00 2.43 C ATOM 1143 C ASP A 70 -14.296 7.931 11.161 1.00 2.17 C ATOM 1144 O ASP A 70 -14.498 6.760 11.476 1.00 2.45 O ATOM 1145 CB ASP A 70 -15.444 9.055 13.107 1.00 3.01 C ATOM 1146 CG ASP A 70 -15.391 8.031 14.228 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -15.514 6.817 13.957 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -15.210 8.437 15.390 1.00 3.96 O ATOM 0 H ASP A 70 -14.919 10.690 11.139 1.00 2.34 H new ATOM 0 HA ASP A 70 -13.328 8.848 12.840 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -15.557 10.050 13.538 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -16.327 8.870 12.496 1.00 3.01 H new ATOM 1153 N GLU A 71 -14.133 8.325 9.909 1.00 2.04 N ATOM 1154 CA GLU A 71 -14.185 7.388 8.799 1.00 2.00 C ATOM 1155 C GLU A 71 -12.848 6.661 8.700 1.00 1.55 C ATOM 1156 O GLU A 71 -11.903 7.007 9.413 1.00 1.90 O ATOM 1157 CB GLU A 71 -14.509 8.125 7.492 1.00 2.69 C ATOM 1158 CG GLU A 71 -15.516 9.248 7.668 1.00 3.30 C ATOM 1159 CD GLU A 71 -15.916 9.906 6.361 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -15.043 10.468 5.669 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -17.118 9.878 6.027 1.00 4.50 O ATOM 0 H GLU A 71 -13.963 9.293 9.635 1.00 2.04 H new ATOM 0 HA GLU A 71 -14.976 6.658 8.971 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -13.588 8.534 7.076 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -14.896 7.410 6.766 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -16.407 8.854 8.156 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -15.096 10.003 8.333 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.764 5.656 7.849 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.530 4.899 7.713 1.00 1.10 C ATOM 1170 C ASP A 72 -11.496 4.153 6.387 1.00 0.90 C ATOM 1171 O ASP A 72 -12.114 3.092 6.238 1.00 1.26 O ATOM 1172 CB ASP A 72 -11.400 3.928 8.889 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.013 3.343 9.051 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -9.383 2.975 8.042 1.00 2.64 O ATOM 1175 OD2 ASP A 72 -9.564 3.202 10.215 1.00 2.67 O ATOM 0 H ASP A 72 -13.526 5.346 7.246 1.00 1.31 H new ATOM 0 HA ASP A 72 -10.685 5.587 7.724 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -11.675 4.446 9.808 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -12.114 3.115 8.757 1.00 1.58 H new ATOM 1180 N THR A 73 -10.782 4.725 5.420 1.00 0.74 N ATOM 1181 CA THR A 73 -10.637 4.133 4.088 1.00 0.65 C ATOM 1182 C THR A 73 -9.502 4.813 3.318 1.00 0.60 C ATOM 1183 O THR A 73 -9.353 6.035 3.385 1.00 0.79 O ATOM 1184 CB THR A 73 -11.935 4.294 3.268 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.046 3.709 3.920 1.00 0.89 O ATOM 1186 CG2 THR A 73 -11.846 3.686 1.884 1.00 0.94 C ATOM 0 H THR A 73 -10.288 5.610 5.535 1.00 0.74 H new ATOM 0 HA THR A 73 -10.417 3.075 4.227 1.00 0.65 H new ATOM 0 HB THR A 73 -12.069 5.372 3.176 1.00 0.79 H new ATOM 0 HG1 THR A 73 -12.732 3.122 4.639 1.00 0.89 H new ATOM 0 HG21 THR A 73 -12.791 3.833 1.360 1.00 0.94 H new ATOM 0 HG22 THR A 73 -11.043 4.167 1.326 1.00 0.94 H new ATOM 0 HG23 THR A 73 -11.640 2.619 1.968 1.00 0.94 H new ATOM 1194 N ILE A 74 -8.746 4.031 2.556 1.00 0.53 N ATOM 1195 CA ILE A 74 -7.671 4.572 1.737 1.00 0.52 C ATOM 1196 C ILE A 74 -8.053 4.424 0.267 1.00 0.50 C ATOM 1197 O ILE A 74 -8.129 3.310 -0.258 1.00 0.66 O ATOM 1198 CB ILE A 74 -6.314 3.873 1.982 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -5.919 3.926 3.462 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -5.237 4.512 1.115 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -5.696 5.328 3.985 1.00 0.99 C ATOM 0 H ILE A 74 -8.859 3.019 2.489 1.00 0.53 H new ATOM 0 HA ILE A 74 -7.545 5.619 2.012 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.415 2.823 1.706 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -6.699 3.447 4.054 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.008 3.345 3.606 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -4.284 4.014 1.293 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -5.508 4.411 0.064 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -5.147 5.569 1.366 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -5.420 5.284 5.038 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -4.895 5.804 3.420 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -6.612 5.908 3.874 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.326 5.535 -0.386 1.00 0.42 N ATOM 1214 CA VAL A 75 -8.719 5.527 -1.787 1.00 0.45 C ATOM 1215 C VAL A 75 -7.617 6.120 -2.660 1.00 0.46 C ATOM 1216 O VAL A 75 -7.209 7.261 -2.448 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.019 6.347 -1.993 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -10.306 6.566 -3.469 1.00 1.19 C ATOM 1219 CG2 VAL A 75 -11.197 5.678 -1.303 1.00 0.61 C ATOM 0 H VAL A 75 -8.283 6.464 0.032 1.00 0.42 H new ATOM 0 HA VAL A 75 -8.892 4.490 -2.077 1.00 0.45 H new ATOM 0 HB VAL A 75 -9.870 7.326 -1.537 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -11.224 7.144 -3.579 1.00 1.19 H new ATOM 0 HG12 VAL A 75 -9.478 7.110 -3.924 1.00 1.19 H new ATOM 0 HG13 VAL A 75 -10.423 5.602 -3.964 1.00 1.19 H new ATOM 0 HG21 VAL A 75 -12.097 6.272 -1.462 1.00 0.61 H new ATOM 0 HG22 VAL A 75 -11.343 4.680 -1.717 1.00 0.61 H new ATOM 0 HG23 VAL A 75 -10.997 5.601 -0.234 1.00 0.61 H new ATOM 1229 N LEU A 76 -7.154 5.379 -3.661 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.139 5.898 -4.556 1.00 0.58 C ATOM 1231 C LEU A 76 -6.659 5.816 -5.985 1.00 0.59 C ATOM 1232 O LEU A 76 -7.006 4.745 -6.489 1.00 0.68 O ATOM 1233 CB LEU A 76 -4.786 5.204 -4.385 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.807 3.691 -4.438 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -3.550 3.191 -5.125 1.00 1.04 C ATOM 1236 CD2 LEU A 76 -4.944 3.085 -3.045 1.00 0.75 C ATOM 0 H LEU A 76 -7.464 4.429 -3.868 1.00 0.51 H new ATOM 0 HA LEU A 76 -5.949 6.941 -4.304 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -4.113 5.566 -5.162 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.362 5.509 -3.428 1.00 0.74 H new ATOM 0 HG LEU A 76 -5.678 3.376 -5.012 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -3.565 2.102 -5.163 1.00 1.04 H new ATOM 0 HD12 LEU A 76 -3.507 3.589 -6.139 1.00 1.04 H new ATOM 0 HD13 LEU A 76 -2.674 3.522 -4.567 1.00 1.04 H new ATOM 0 HD21 LEU A 76 -4.956 1.998 -3.121 1.00 0.75 H new ATOM 0 HD22 LEU A 76 -4.101 3.397 -2.428 1.00 0.75 H new ATOM 0 HD23 LEU A 76 -5.873 3.427 -2.589 1.00 0.75 H new ATOM 1248 N GLN A 77 -6.794 6.979 -6.594 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.364 7.100 -7.929 1.00 0.74 C ATOM 1250 C GLN A 77 -6.301 7.295 -9.017 1.00 0.78 C ATOM 1251 O GLN A 77 -5.363 8.080 -8.863 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.338 8.281 -7.934 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.227 8.344 -9.165 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.083 9.584 -9.192 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -9.570 10.703 -9.244 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -11.389 9.402 -9.135 1.00 2.03 N ATOM 0 H GLN A 77 -6.513 7.868 -6.180 1.00 0.62 H new ATOM 0 HA GLN A 77 -7.877 6.167 -8.162 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -8.968 8.223 -7.046 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -7.769 9.208 -7.861 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -8.606 8.315 -10.060 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.868 7.463 -9.193 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -11.771 8.457 -9.093 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -12.016 10.206 -9.133 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.456 6.571 -10.138 1.00 0.85 N ATOM 1266 CA PRO A 78 -5.538 6.637 -11.277 1.00 0.99 C ATOM 1267 C PRO A 78 -5.822 7.834 -12.179 1.00 1.02 C ATOM 1268 O PRO A 78 -6.799 7.833 -12.928 1.00 1.34 O ATOM 1269 CB PRO A 78 -5.839 5.343 -12.025 1.00 1.43 C ATOM 1270 CG PRO A 78 -7.281 5.073 -11.753 1.00 1.60 C ATOM 1271 CD PRO A 78 -7.560 5.616 -10.377 1.00 1.20 C ATOM 0 HA PRO A 78 -4.500 6.749 -10.965 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -5.651 5.451 -13.093 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -5.210 4.526 -11.672 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -7.914 5.556 -12.497 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -7.492 4.005 -11.800 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -8.531 6.109 -10.332 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -7.570 4.823 -9.629 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.969 8.842 -12.143 1.00 1.17 N ATOM 1280 CA GLN A 79 -5.179 10.014 -12.992 1.00 1.56 C ATOM 1281 C GLN A 79 -4.521 9.804 -14.352 1.00 1.66 C ATOM 1282 O GLN A 79 -4.586 10.675 -15.219 1.00 2.02 O ATOM 1283 CB GLN A 79 -4.681 11.305 -12.328 1.00 2.04 C ATOM 1284 CG GLN A 79 -3.220 11.303 -11.944 1.00 2.20 C ATOM 1285 CD GLN A 79 -2.797 12.603 -11.283 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -2.811 13.664 -11.908 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -2.449 12.539 -10.005 1.00 3.46 N ATOM 0 H GLN A 79 -4.140 8.880 -11.551 1.00 1.17 H new ATOM 0 HA GLN A 79 -6.253 10.131 -13.137 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -4.861 12.138 -13.007 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -5.276 11.489 -11.433 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -3.026 10.473 -11.265 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -2.613 11.136 -12.834 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -2.450 11.641 -9.521 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -2.181 13.387 -9.506 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.924 8.632 -14.547 1.00 1.50 N ATOM 1297 CA GLU A 80 -3.296 8.285 -15.815 1.00 1.81 C ATOM 1298 C GLU A 80 -4.063 7.132 -16.461 1.00 1.62 C ATOM 1299 O GLU A 80 -4.399 6.160 -15.783 1.00 1.78 O ATOM 1300 CB GLU A 80 -1.843 7.840 -15.602 1.00 2.37 C ATOM 1301 CG GLU A 80 -0.931 8.885 -14.983 1.00 3.06 C ATOM 1302 CD GLU A 80 0.454 8.328 -14.711 1.00 3.86 C ATOM 1303 OE1 GLU A 80 0.668 7.119 -14.939 1.00 4.35 O ATOM 1304 OE2 GLU A 80 1.336 9.084 -14.257 1.00 4.42 O ATOM 0 H GLU A 80 -3.863 7.903 -13.837 1.00 1.50 H new ATOM 0 HA GLU A 80 -3.311 9.166 -16.456 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -1.840 6.955 -14.965 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -1.427 7.541 -16.564 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -0.854 9.743 -15.651 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -1.368 9.245 -14.052 1.00 3.06 H new ATOM 1311 N PRO A 81 -4.331 7.208 -17.773 1.00 1.93 N ATOM 1312 CA PRO A 81 -5.034 6.147 -18.492 1.00 2.28 C ATOM 1313 C PRO A 81 -4.223 4.849 -18.507 1.00 2.24 C ATOM 1314 O PRO A 81 -3.217 4.734 -19.215 1.00 2.80 O ATOM 1315 CB PRO A 81 -5.185 6.707 -19.909 1.00 2.89 C ATOM 1316 CG PRO A 81 -4.139 7.762 -20.029 1.00 3.10 C ATOM 1317 CD PRO A 81 -3.954 8.326 -18.653 1.00 2.53 C ATOM 0 HA PRO A 81 -5.987 5.893 -18.029 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -5.044 5.927 -20.657 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -6.181 7.121 -20.064 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -3.206 7.344 -20.407 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -4.447 8.538 -20.730 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -2.925 8.642 -18.483 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -4.586 9.198 -18.488 1.00 2.53 H new ATOM 1325 N GLY A 82 -4.658 3.890 -17.713 1.00 1.99 N ATOM 1326 CA GLY A 82 -3.971 2.620 -17.625 1.00 2.10 C ATOM 1327 C GLY A 82 -4.039 2.068 -16.224 1.00 1.96 C ATOM 1328 O GLY A 82 -4.383 0.898 -16.022 1.00 2.51 O ATOM 0 H GLY A 82 -5.484 3.968 -17.120 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -4.418 1.911 -18.322 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -2.929 2.744 -17.921 1.00 2.10 H new ATOM 1332 N LEU A 83 -3.690 2.912 -15.258 1.00 1.57 N ATOM 1333 CA LEU A 83 -3.696 2.527 -13.856 1.00 1.40 C ATOM 1334 C LEU A 83 -5.117 2.137 -13.436 1.00 1.22 C ATOM 1335 O LEU A 83 -6.088 2.767 -13.856 1.00 1.13 O ATOM 1336 CB LEU A 83 -3.167 3.689 -12.998 1.00 1.31 C ATOM 1337 CG LEU A 83 -2.695 3.318 -11.584 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -1.472 2.415 -11.649 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -2.389 4.566 -10.775 1.00 1.26 C ATOM 0 H LEU A 83 -3.397 3.875 -15.426 1.00 1.57 H new ATOM 0 HA LEU A 83 -3.044 1.666 -13.707 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -2.336 4.156 -13.526 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -3.953 4.439 -12.913 1.00 1.31 H new ATOM 0 HG LEU A 83 -3.500 2.776 -11.088 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -1.152 2.163 -10.638 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -1.722 1.502 -12.189 1.00 1.86 H new ATOM 0 HD13 LEU A 83 -0.664 2.933 -12.167 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -2.056 4.280 -9.777 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -1.603 5.137 -11.270 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -3.287 5.178 -10.697 1.00 1.26 H new ATOM 1351 N PRO A 84 -5.263 1.071 -12.634 1.00 1.33 N ATOM 1352 CA PRO A 84 -6.577 0.586 -12.192 1.00 1.29 C ATOM 1353 C PRO A 84 -7.185 1.426 -11.069 1.00 1.09 C ATOM 1354 O PRO A 84 -6.570 2.373 -10.579 1.00 1.15 O ATOM 1355 CB PRO A 84 -6.273 -0.823 -11.683 1.00 1.58 C ATOM 1356 CG PRO A 84 -4.849 -0.779 -11.252 1.00 1.75 C ATOM 1357 CD PRO A 84 -4.163 0.238 -12.122 1.00 1.64 C ATOM 0 HA PRO A 84 -7.309 0.630 -12.999 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -6.928 -1.093 -10.854 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -6.426 -1.567 -12.465 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -4.772 -0.503 -10.200 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -4.382 -1.758 -11.360 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -3.446 0.830 -11.554 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -3.612 -0.238 -12.933 1.00 1.64 H new ATOM 1365 N SER A 85 -8.384 1.045 -10.657 1.00 0.99 N ATOM 1366 CA SER A 85 -9.081 1.710 -9.571 1.00 0.88 C ATOM 1367 C SER A 85 -8.819 0.914 -8.304 1.00 0.63 C ATOM 1368 O SER A 85 -9.080 -0.288 -8.251 1.00 0.82 O ATOM 1369 CB SER A 85 -10.573 1.805 -9.882 1.00 1.23 C ATOM 1370 OG SER A 85 -10.785 2.473 -11.119 1.00 1.43 O ATOM 0 H SER A 85 -8.900 0.266 -11.067 1.00 0.99 H new ATOM 0 HA SER A 85 -8.721 2.731 -9.440 1.00 0.88 H new ATOM 0 HB2 SER A 85 -11.006 0.805 -9.924 1.00 1.23 H new ATOM 0 HB3 SER A 85 -11.083 2.340 -9.081 1.00 1.23 H new ATOM 0 HG SER A 85 -11.746 2.523 -11.303 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.227 1.554 -7.311 1.00 0.53 N ATOM 1377 CA PHE A 86 -7.839 0.849 -6.108 1.00 0.64 C ATOM 1378 C PHE A 86 -8.321 1.560 -4.838 1.00 0.57 C ATOM 1379 O PHE A 86 -8.059 2.744 -4.632 1.00 0.63 O ATOM 1380 CB PHE A 86 -6.311 0.750 -6.148 1.00 1.04 C ATOM 1381 CG PHE A 86 -5.640 0.015 -5.025 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.348 -0.749 -4.120 1.00 1.41 C ATOM 1383 CD2 PHE A 86 -4.270 0.106 -4.887 1.00 1.30 C ATOM 1384 CE1 PHE A 86 -5.695 -1.401 -3.095 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -3.616 -0.534 -3.867 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.325 -1.285 -2.969 1.00 0.75 C ATOM 0 H PHE A 86 -8.007 2.550 -7.315 1.00 0.53 H new ATOM 0 HA PHE A 86 -8.301 -0.138 -6.076 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -6.029 0.267 -7.084 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -5.908 1.762 -6.177 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -7.420 -0.837 -4.215 1.00 1.41 H new ATOM 0 HD2 PHE A 86 -3.703 0.692 -5.595 1.00 1.30 H new ATOM 0 HE1 PHE A 86 -6.254 -2.001 -2.392 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -2.544 -0.446 -3.772 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.813 -1.787 -2.162 1.00 0.75 H new ATOM 1396 N ARG A 87 -8.994 0.802 -3.982 1.00 0.60 N ATOM 1397 CA ARG A 87 -9.473 1.310 -2.705 1.00 0.57 C ATOM 1398 C ARG A 87 -9.235 0.242 -1.644 1.00 0.57 C ATOM 1399 O ARG A 87 -9.416 -0.949 -1.906 1.00 0.79 O ATOM 1400 CB ARG A 87 -10.959 1.725 -2.747 1.00 0.68 C ATOM 1401 CG ARG A 87 -11.936 0.599 -3.042 1.00 1.18 C ATOM 1402 CD ARG A 87 -12.201 0.433 -4.531 1.00 1.24 C ATOM 1403 NE ARG A 87 -12.991 1.532 -5.089 1.00 1.36 N ATOM 1404 CZ ARG A 87 -13.538 1.504 -6.301 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -13.691 0.344 -6.924 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -14.227 2.552 -6.725 1.00 2.41 N ATOM 0 H ARG A 87 -9.222 -0.177 -4.153 1.00 0.60 H new ATOM 0 HA ARG A 87 -8.919 2.217 -2.463 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -11.222 2.172 -1.788 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.082 2.500 -3.504 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -11.542 -0.334 -2.640 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -12.877 0.795 -2.528 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -11.250 0.369 -5.060 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -12.724 -0.508 -4.700 1.00 1.24 H new ATOM 0 HE ARG A 87 -13.130 2.365 -4.517 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -13.390 -0.520 -6.474 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -14.110 0.316 -7.854 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -14.334 3.369 -6.124 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -14.651 2.542 -7.653 1.00 2.41 H new ATOM 1420 N ILE A 88 -8.830 0.666 -0.461 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.563 -0.255 0.643 1.00 0.54 C ATOM 1422 C ILE A 88 -9.302 0.197 1.900 1.00 0.59 C ATOM 1423 O ILE A 88 -9.225 1.358 2.306 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.050 -0.441 0.930 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.277 0.856 0.673 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.493 -1.577 0.090 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.789 0.761 0.949 1.00 0.74 C ATOM 0 H ILE A 88 -8.676 1.648 -0.233 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.937 -1.232 0.336 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.929 -0.695 1.983 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.424 1.153 -0.365 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.700 1.646 1.293 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.430 -1.698 0.300 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -7.018 -2.501 0.333 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.630 -1.349 -0.967 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.318 1.722 0.742 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.629 0.497 1.994 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.349 -0.004 0.310 1.00 0.74 H new ATOM 1439 N LYS A 89 -10.051 -0.721 2.493 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.837 -0.413 3.677 1.00 0.74 C ATOM 1441 C LYS A 89 -10.828 -1.596 4.643 1.00 0.85 C ATOM 1442 O LYS A 89 -10.668 -2.740 4.217 1.00 0.96 O ATOM 1443 CB LYS A 89 -12.281 -0.054 3.269 1.00 0.95 C ATOM 1444 CG LYS A 89 -13.094 -1.221 2.722 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.140 -1.701 3.715 1.00 1.68 C ATOM 1446 CE LYS A 89 -15.121 -0.593 4.068 1.00 1.89 C ATOM 1447 NZ LYS A 89 -16.136 -1.032 5.067 1.00 2.46 N ATOM 0 H LYS A 89 -10.131 -1.686 2.173 1.00 0.62 H new ATOM 0 HA LYS A 89 -10.394 0.444 4.184 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.798 0.357 4.136 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.247 0.733 2.515 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -13.584 -0.919 1.796 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -12.425 -2.045 2.474 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -14.682 -2.548 3.294 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -13.648 -2.056 4.621 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -14.573 0.262 4.463 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -15.627 -0.257 3.163 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -16.781 -0.244 5.276 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -16.679 -1.831 4.682 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -15.657 -1.328 5.941 1.00 2.46 H new ATOM 1461 N PRO A 90 -11.002 -1.343 5.949 1.00 1.06 N ATOM 1462 CA PRO A 90 -11.024 -2.403 6.960 1.00 1.30 C ATOM 1463 C PRO A 90 -12.336 -3.179 6.935 1.00 1.47 C ATOM 1464 O PRO A 90 -13.226 -2.928 7.748 1.00 1.94 O ATOM 1465 CB PRO A 90 -10.877 -1.641 8.277 1.00 1.59 C ATOM 1466 CG PRO A 90 -11.458 -0.295 8.010 1.00 1.77 C ATOM 1467 CD PRO A 90 -11.205 -0.006 6.550 1.00 1.29 C ATOM 0 HA PRO A 90 -10.243 -3.146 6.798 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -11.405 -2.146 9.086 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -9.831 -1.567 8.576 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -12.526 -0.282 8.230 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -10.993 0.461 8.642 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -12.048 0.512 6.094 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -10.330 0.629 6.415 1.00 1.29 H new ATOM 1475 N LYS A 91 -12.458 -4.079 5.966 1.00 1.40 N ATOM 1476 CA LYS A 91 -13.670 -4.882 5.782 1.00 1.72 C ATOM 1477 C LYS A 91 -14.190 -5.431 7.106 1.00 2.02 C ATOM 1478 O LYS A 91 -15.235 -4.998 7.590 1.00 2.48 O ATOM 1479 CB LYS A 91 -13.406 -6.025 4.795 1.00 1.95 C ATOM 1480 CG LYS A 91 -14.658 -6.651 4.183 1.00 2.50 C ATOM 1481 CD LYS A 91 -15.451 -7.458 5.195 1.00 2.94 C ATOM 1482 CE LYS A 91 -16.493 -8.344 4.530 1.00 3.58 C ATOM 1483 NZ LYS A 91 -15.866 -9.487 3.800 1.00 4.13 N ATOM 0 H LYS A 91 -11.724 -4.275 5.285 1.00 1.40 H new ATOM 0 HA LYS A 91 -14.441 -4.229 5.372 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -12.774 -5.651 3.989 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -12.842 -6.804 5.307 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -15.291 -5.865 3.772 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -14.371 -7.296 3.352 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -14.769 -8.076 5.779 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -15.944 -6.780 5.892 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -17.179 -8.728 5.285 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -17.085 -7.749 3.834 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -15.884 -9.298 2.778 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -14.881 -9.601 4.114 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -16.396 -10.359 4.000 1.00 4.13 H new ATOM 1497 N ASP A 92 -13.485 -6.398 7.680 1.00 2.34 N ATOM 1498 CA ASP A 92 -13.927 -6.999 8.928 1.00 2.92 C ATOM 1499 C ASP A 92 -12.748 -7.375 9.812 1.00 2.79 C ATOM 1500 O ASP A 92 -11.921 -8.199 9.429 1.00 3.27 O ATOM 1501 CB ASP A 92 -14.767 -8.239 8.628 1.00 3.81 C ATOM 1502 CG ASP A 92 -15.509 -8.760 9.835 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -14.860 -9.226 10.789 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -16.757 -8.715 9.832 1.00 5.11 O ATOM 0 H ASP A 92 -12.616 -6.778 7.306 1.00 2.34 H new ATOM 0 HA ASP A 92 -14.528 -6.266 9.466 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -15.485 -8.003 7.842 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -14.118 -9.025 8.241 1.00 3.81 H new ATOM 1509 N PHE A 93 -12.700 -6.781 11.003 1.00 2.71 N ATOM 1510 CA PHE A 93 -11.644 -7.056 11.967 1.00 2.95 C ATOM 1511 C PHE A 93 -11.960 -6.363 13.281 1.00 3.05 C ATOM 1512 O PHE A 93 -12.670 -5.355 13.302 1.00 3.30 O ATOM 1513 CB PHE A 93 -10.276 -6.602 11.457 1.00 3.27 C ATOM 1514 CG PHE A 93 -9.173 -7.541 11.857 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -9.150 -8.842 11.376 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -8.173 -7.131 12.725 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -8.147 -9.713 11.750 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -7.169 -8.000 13.100 1.00 5.30 C ATOM 1519 CZ PHE A 93 -7.158 -9.291 12.610 1.00 5.69 C ATOM 0 H PHE A 93 -13.389 -6.100 11.323 1.00 2.71 H new ATOM 0 HA PHE A 93 -11.600 -8.135 12.116 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -10.305 -6.522 10.370 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -10.060 -5.606 11.844 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -9.925 -9.177 10.702 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -8.180 -6.122 13.111 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -8.138 -10.723 11.369 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -6.393 -7.671 13.776 1.00 5.30 H new ATOM 0 HZ PHE A 93 -6.372 -9.971 12.902 1.00 5.69 H new ATOM 1529 N GLU A 94 -11.457 -6.913 14.376 1.00 3.44 N ATOM 1530 CA GLU A 94 -11.709 -6.359 15.696 1.00 3.96 C ATOM 1531 C GLU A 94 -10.767 -5.188 15.997 1.00 3.75 C ATOM 1532 O GLU A 94 -11.144 -4.025 15.846 1.00 4.15 O ATOM 1533 CB GLU A 94 -11.576 -7.458 16.760 1.00 4.82 C ATOM 1534 CG GLU A 94 -12.254 -7.137 18.081 1.00 5.73 C ATOM 1535 CD GLU A 94 -11.629 -5.958 18.794 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -10.470 -6.077 19.245 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -12.285 -4.899 18.879 1.00 7.20 O ATOM 0 H GLU A 94 -10.869 -7.747 14.375 1.00 3.44 H new ATOM 0 HA GLU A 94 -12.727 -5.971 15.718 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -11.997 -8.383 16.365 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -10.518 -7.643 16.944 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -13.309 -6.928 17.901 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -12.208 -8.012 18.729 1.00 5.73 H new ATOM 1544 N THR A 95 -9.550 -5.488 16.447 1.00 3.56 N ATOM 1545 CA THR A 95 -8.587 -4.443 16.791 1.00 3.57 C ATOM 1546 C THR A 95 -8.140 -3.680 15.558 1.00 3.11 C ATOM 1547 O THR A 95 -7.870 -2.477 15.615 1.00 3.46 O ATOM 1548 CB THR A 95 -7.385 -5.044 17.505 1.00 4.37 C ATOM 1549 OG1 THR A 95 -7.806 -5.963 18.498 1.00 4.92 O ATOM 1550 CG2 THR A 95 -6.520 -4.000 18.182 1.00 4.79 C ATOM 0 H THR A 95 -9.209 -6.440 16.581 1.00 3.56 H new ATOM 0 HA THR A 95 -9.081 -3.740 17.462 1.00 3.57 H new ATOM 0 HB THR A 95 -6.797 -5.540 16.732 1.00 4.37 H new ATOM 0 HG1 THR A 95 -8.758 -5.827 18.687 1.00 4.92 H new ATOM 0 HG21 THR A 95 -5.679 -4.488 18.674 1.00 4.79 H new ATOM 0 HG22 THR A 95 -6.147 -3.298 17.437 1.00 4.79 H new ATOM 0 HG23 THR A 95 -7.112 -3.462 18.923 1.00 4.79 H new ATOM 1558 N SER A 96 -8.098 -4.425 14.468 1.00 2.83 N ATOM 1559 CA SER A 96 -7.719 -3.937 13.152 1.00 2.92 C ATOM 1560 C SER A 96 -6.221 -3.820 12.978 1.00 2.63 C ATOM 1561 O SER A 96 -5.733 -2.751 12.613 1.00 2.95 O ATOM 1562 CB SER A 96 -8.325 -2.585 12.901 1.00 3.49 C ATOM 1563 OG SER A 96 -9.376 -2.640 11.955 1.00 4.05 O ATOM 0 H SER A 96 -8.334 -5.417 14.473 1.00 2.83 H new ATOM 0 HA SER A 96 -8.093 -4.671 12.439 1.00 2.92 H new ATOM 0 HB2 SER A 96 -8.703 -2.178 13.839 1.00 3.49 H new ATOM 0 HB3 SER A 96 -7.553 -1.903 12.545 1.00 3.49 H new ATOM 0 HG SER A 96 -9.943 -1.847 12.050 1.00 4.05 H new ATOM 1569 N GLU A 97 -5.501 -4.906 13.207 1.00 2.52 N ATOM 1570 CA GLU A 97 -4.059 -4.938 13.025 1.00 2.71 C ATOM 1571 C GLU A 97 -3.281 -4.142 14.046 1.00 2.41 C ATOM 1572 O GLU A 97 -2.164 -4.535 14.355 1.00 2.64 O ATOM 1573 CB GLU A 97 -3.709 -4.463 11.627 1.00 3.26 C ATOM 1574 CG GLU A 97 -3.589 -5.590 10.622 1.00 3.93 C ATOM 1575 CD GLU A 97 -4.682 -6.619 10.775 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -5.840 -6.324 10.422 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -4.385 -7.717 11.289 1.00 4.86 O ATOM 0 H GLU A 97 -5.899 -5.790 13.524 1.00 2.52 H new ATOM 0 HA GLU A 97 -3.762 -5.977 13.170 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -4.472 -3.763 11.287 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -2.767 -3.916 11.662 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -3.621 -5.178 9.613 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -2.619 -6.074 10.738 1.00 3.93 H new ATOM 1584 N TYR A 98 -3.805 -2.984 14.487 1.00 2.15 N ATOM 1585 CA TYR A 98 -3.129 -2.077 15.398 1.00 1.95 C ATOM 1586 C TYR A 98 -2.334 -1.096 14.542 1.00 1.56 C ATOM 1587 O TYR A 98 -2.293 0.103 14.813 1.00 1.45 O ATOM 1588 CB TYR A 98 -2.307 -2.834 16.432 1.00 2.16 C ATOM 1589 CG TYR A 98 -0.825 -2.522 16.469 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -0.340 -1.410 17.139 1.00 3.28 C ATOM 1591 CD2 TYR A 98 0.089 -3.354 15.833 1.00 3.63 C ATOM 1592 CE1 TYR A 98 1.015 -1.133 17.175 1.00 4.19 C ATOM 1593 CE2 TYR A 98 1.444 -3.081 15.865 1.00 4.46 C ATOM 1594 CZ TYR A 98 1.902 -1.976 16.538 1.00 4.66 C ATOM 1595 OH TYR A 98 3.248 -1.696 16.565 1.00 5.65 O ATOM 0 H TYR A 98 -4.730 -2.657 14.207 1.00 2.15 H new ATOM 0 HA TYR A 98 -3.836 -1.509 16.002 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -2.725 -2.629 17.418 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -2.428 -3.902 16.250 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -1.031 -0.749 17.641 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -0.265 -4.227 15.306 1.00 3.63 H new ATOM 0 HE1 TYR A 98 1.377 -0.261 17.699 1.00 4.19 H new ATOM 0 HE2 TYR A 98 2.140 -3.736 15.362 1.00 4.46 H new ATOM 0 HH TYR A 98 3.736 -2.387 16.071 1.00 5.65 H new ATOM 1605 N VAL A 99 -1.743 -1.623 13.468 1.00 1.54 N ATOM 1606 CA VAL A 99 -0.986 -0.804 12.528 1.00 1.34 C ATOM 1607 C VAL A 99 -1.909 -0.171 11.501 1.00 1.17 C ATOM 1608 O VAL A 99 -1.603 0.879 10.947 1.00 1.04 O ATOM 1609 CB VAL A 99 0.114 -1.600 11.770 1.00 1.65 C ATOM 1610 CG1 VAL A 99 0.690 -2.715 12.623 1.00 1.91 C ATOM 1611 CG2 VAL A 99 -0.397 -2.141 10.438 1.00 1.76 C ATOM 0 H VAL A 99 -1.776 -2.614 13.230 1.00 1.54 H new ATOM 0 HA VAL A 99 -0.498 -0.039 13.132 1.00 1.34 H new ATOM 0 HB VAL A 99 0.920 -0.898 11.555 1.00 1.65 H new ATOM 0 HG11 VAL A 99 1.455 -3.247 12.058 1.00 1.91 H new ATOM 0 HG12 VAL A 99 1.133 -2.292 13.524 1.00 1.91 H new ATOM 0 HG13 VAL A 99 -0.104 -3.408 12.901 1.00 1.91 H new ATOM 0 HG21 VAL A 99 0.401 -2.691 9.939 1.00 1.76 H new ATOM 0 HG22 VAL A 99 -1.241 -2.807 10.616 1.00 1.76 H new ATOM 0 HG23 VAL A 99 -0.716 -1.312 9.807 1.00 1.76 H new ATOM 1621 N ARG A 100 -3.020 -0.848 11.215 1.00 1.36 N ATOM 1622 CA ARG A 100 -3.972 -0.392 10.210 1.00 1.42 C ATOM 1623 C ARG A 100 -4.499 1.010 10.493 1.00 1.31 C ATOM 1624 O ARG A 100 -4.422 1.880 9.638 1.00 1.31 O ATOM 1625 CB ARG A 100 -5.126 -1.377 10.089 1.00 1.78 C ATOM 1626 CG ARG A 100 -5.885 -1.250 8.789 1.00 2.37 C ATOM 1627 CD ARG A 100 -7.262 -1.882 8.892 1.00 3.01 C ATOM 1628 NE ARG A 100 -8.125 -1.175 9.840 1.00 3.48 N ATOM 1629 CZ ARG A 100 -8.444 0.120 9.747 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -7.972 0.867 8.754 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -9.259 0.662 10.631 1.00 4.93 N ATOM 0 H ARG A 100 -3.282 -1.722 11.671 1.00 1.36 H new ATOM 0 HA ARG A 100 -3.435 -0.344 9.263 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -4.739 -2.392 10.178 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -5.814 -1.224 10.920 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -5.984 -0.197 8.524 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -5.322 -1.728 7.988 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -7.732 -1.887 7.909 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -7.160 -2.922 9.202 1.00 3.01 H new ATOM 0 HE ARG A 100 -8.508 -1.705 10.623 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -7.359 0.453 8.052 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -8.223 1.854 8.694 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -9.645 0.093 11.385 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -9.503 1.650 10.561 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.035 1.244 11.684 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.547 2.571 12.012 1.00 1.43 C ATOM 1647 C LYS A 101 -4.407 3.559 12.212 1.00 1.27 C ATOM 1648 O LYS A 101 -4.591 4.774 12.137 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.412 2.532 13.262 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.833 2.075 13.002 1.00 2.35 C ATOM 1651 CD LYS A 101 -8.768 2.451 14.142 1.00 2.61 C ATOM 1652 CE LYS A 101 -9.390 3.816 13.917 1.00 2.79 C ATOM 1653 NZ LYS A 101 -10.259 3.836 12.717 1.00 3.24 N ATOM 0 H LYS A 101 -5.126 0.550 12.426 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.159 2.900 11.172 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -5.952 1.865 13.991 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -6.435 3.526 13.709 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -8.194 2.521 12.075 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -7.847 0.994 12.863 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -9.554 1.701 14.233 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -8.217 2.451 15.082 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -9.974 4.098 14.793 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -8.602 4.561 13.807 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -10.857 4.687 12.735 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -9.669 3.846 11.861 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -10.863 2.989 12.711 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.233 3.022 12.468 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.050 3.837 12.684 1.00 1.11 C ATOM 1669 C ALA A 102 -1.470 4.334 11.366 1.00 0.99 C ATOM 1670 O ALA A 102 -1.195 5.525 11.209 1.00 1.28 O ATOM 1671 CB ALA A 102 -0.998 3.052 13.448 1.00 1.22 C ATOM 0 H ALA A 102 -3.069 2.017 12.533 1.00 1.11 H new ATOM 0 HA ALA A 102 -2.349 4.704 13.273 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.118 3.677 13.602 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.401 2.749 14.414 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -0.719 2.166 12.877 1.00 1.22 H new ATOM 1677 N TRP A 103 -1.312 3.427 10.404 1.00 0.97 N ATOM 1678 CA TRP A 103 -0.766 3.794 9.109 1.00 1.01 C ATOM 1679 C TRP A 103 -1.792 4.572 8.304 1.00 0.93 C ATOM 1680 O TRP A 103 -1.470 5.198 7.294 1.00 1.00 O ATOM 1681 CB TRP A 103 -0.200 2.573 8.374 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.111 1.748 7.502 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -2.283 1.135 7.837 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -0.841 1.367 6.146 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -2.787 0.449 6.749 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -1.911 0.575 5.702 1.00 0.92 C ATOM 1687 CE3 TRP A 103 0.198 1.641 5.254 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 -1.962 0.056 4.404 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 0.148 1.118 3.982 1.00 0.73 C ATOM 1690 CH2 TRP A 103 -0.924 0.336 3.565 1.00 0.98 C ATOM 0 H TRP A 103 -1.554 2.441 10.500 1.00 0.97 H new ATOM 0 HA TRP A 103 0.083 4.462 9.256 1.00 1.01 H new ATOM 0 HB2 TRP A 103 0.624 2.919 7.751 1.00 1.40 H new ATOM 0 HB3 TRP A 103 0.226 1.907 9.125 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -2.749 1.180 8.810 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -3.667 -0.067 6.728 1.00 1.16 H new ATOM 0 HE3 TRP A 103 1.031 2.256 5.559 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 -2.796 -0.547 4.077 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 0.956 1.319 3.295 1.00 0.73 H new ATOM 0 HH2 TRP A 103 -0.935 -0.056 2.559 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.008 4.599 8.823 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.086 5.369 8.232 1.00 1.12 C ATOM 1703 C LEU A 104 -3.755 6.850 8.411 1.00 1.10 C ATOM 1704 O LEU A 104 -4.031 7.687 7.554 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.398 5.047 8.947 1.00 1.35 C ATOM 1706 CG LEU A 104 -6.584 4.671 8.053 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -6.975 5.845 7.173 1.00 2.27 C ATOM 1708 CD2 LEU A 104 -6.249 3.451 7.221 1.00 1.69 C ATOM 0 H LEU A 104 -3.274 4.088 9.665 1.00 0.95 H new ATOM 0 HA LEU A 104 -4.194 5.126 7.175 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.217 4.225 9.639 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -5.682 5.912 9.546 1.00 1.35 H new ATOM 0 HG LEU A 104 -7.438 4.425 8.684 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -7.819 5.563 6.544 1.00 2.27 H new ATOM 0 HD12 LEU A 104 -7.257 6.691 7.799 1.00 2.27 H new ATOM 0 HD13 LEU A 104 -6.130 6.125 6.543 1.00 2.27 H new ATOM 0 HD21 LEU A 104 -7.101 3.195 6.591 1.00 1.69 H new ATOM 0 HD22 LEU A 104 -5.384 3.665 6.593 1.00 1.69 H new ATOM 0 HD23 LEU A 104 -6.021 2.613 7.880 1.00 1.69 H new ATOM 1720 N ARG A 105 -3.109 7.137 9.535 1.00 1.01 N ATOM 1721 CA ARG A 105 -2.665 8.480 9.873 1.00 1.18 C ATOM 1722 C ARG A 105 -1.358 8.796 9.156 1.00 1.08 C ATOM 1723 O ARG A 105 -1.090 9.940 8.799 1.00 1.21 O ATOM 1724 CB ARG A 105 -2.506 8.616 11.385 1.00 1.38 C ATOM 1725 CG ARG A 105 -3.522 9.548 12.035 1.00 2.01 C ATOM 1726 CD ARG A 105 -4.951 9.244 11.600 1.00 2.29 C ATOM 1727 NE ARG A 105 -5.263 9.814 10.290 1.00 2.86 N ATOM 1728 CZ ARG A 105 -6.410 9.621 9.636 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -7.272 8.703 10.048 1.00 4.09 N ATOM 1730 NH2 ARG A 105 -6.611 10.229 8.478 1.00 4.52 N ATOM 0 H ARG A 105 -2.878 6.438 10.241 1.00 1.01 H new ATOM 0 HA ARG A 105 -3.416 9.198 9.544 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -2.592 7.629 11.839 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -1.502 8.981 11.603 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -3.449 9.461 13.119 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -3.279 10.580 11.781 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -5.097 8.164 11.569 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -5.646 9.639 12.341 1.00 2.29 H new ATOM 0 HE ARG A 105 -4.555 10.399 9.846 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -7.061 8.138 10.870 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -8.147 8.561 9.543 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -5.892 10.840 8.091 1.00 4.52 H new ATOM 0 HH22 ARG A 105 -7.485 10.086 7.972 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.557 7.756 8.926 1.00 0.95 N ATOM 1745 CA ASP A 106 0.704 7.908 8.215 1.00 0.99 C ATOM 1746 C ASP A 106 0.412 8.302 6.780 1.00 0.96 C ATOM 1747 O ASP A 106 0.916 9.304 6.284 1.00 1.17 O ATOM 1748 CB ASP A 106 1.522 6.602 8.241 1.00 1.09 C ATOM 1749 CG ASP A 106 2.277 6.389 9.545 1.00 1.46 C ATOM 1750 OD1 ASP A 106 3.214 7.165 9.833 1.00 2.18 O ATOM 1751 OD2 ASP A 106 1.951 5.437 10.286 1.00 1.76 O ATOM 0 H ASP A 106 -0.762 6.802 9.223 1.00 0.95 H new ATOM 0 HA ASP A 106 1.294 8.681 8.708 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.852 5.759 8.076 1.00 1.09 H new ATOM 0 HB3 ASP A 106 2.233 6.611 7.415 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.450 7.517 6.146 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.866 7.753 4.772 1.00 1.04 C ATOM 1758 C ILE A 107 -1.518 9.126 4.603 1.00 1.23 C ATOM 1759 O ILE A 107 -1.372 9.759 3.558 1.00 1.43 O ATOM 1760 CB ILE A 107 -1.854 6.658 4.313 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -1.112 5.342 4.070 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -2.611 7.079 3.071 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -2.023 4.166 3.805 1.00 1.45 C ATOM 0 H ILE A 107 -0.881 6.697 6.573 1.00 0.92 H new ATOM 0 HA ILE A 107 0.032 7.722 4.154 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.583 6.510 5.109 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -0.439 5.467 3.221 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -0.492 5.120 4.938 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -3.297 6.285 2.776 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.176 7.988 3.280 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -1.906 7.268 2.262 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -1.423 3.270 3.643 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -2.678 4.013 4.662 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -2.625 4.365 2.919 1.00 1.45 H new ATOM 1775 N ALA A 108 -2.237 9.582 5.624 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.908 10.877 5.565 1.00 1.52 C ATOM 1777 C ALA A 108 -1.901 12.002 5.345 1.00 1.59 C ATOM 1778 O ALA A 108 -2.057 12.827 4.440 1.00 1.92 O ATOM 1779 CB ALA A 108 -3.694 11.126 6.838 1.00 1.62 C ATOM 0 H ALA A 108 -2.370 9.076 6.500 1.00 1.25 H new ATOM 0 HA ALA A 108 -3.598 10.861 4.721 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -4.188 12.096 6.777 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -4.444 10.344 6.962 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -3.016 11.117 7.692 1.00 1.62 H new ATOM 1785 N GLU A 109 -0.870 12.027 6.171 1.00 1.39 N ATOM 1786 CA GLU A 109 0.167 13.037 6.066 1.00 1.50 C ATOM 1787 C GLU A 109 1.168 12.681 4.966 1.00 1.43 C ATOM 1788 O GLU A 109 1.272 13.389 3.964 1.00 1.70 O ATOM 1789 CB GLU A 109 0.882 13.184 7.409 1.00 1.69 C ATOM 1790 CG GLU A 109 -0.058 13.543 8.547 1.00 1.73 C ATOM 1791 CD GLU A 109 -0.646 14.936 8.404 1.00 2.07 C ATOM 1792 OE1 GLU A 109 -0.122 15.733 7.592 1.00 2.56 O ATOM 1793 OE2 GLU A 109 -1.618 15.251 9.123 1.00 2.40 O ATOM 0 H GLU A 109 -0.729 11.355 6.926 1.00 1.39 H new ATOM 0 HA GLU A 109 -0.298 13.987 5.802 1.00 1.50 H new ATOM 0 HB2 GLU A 109 1.391 12.250 7.647 1.00 1.69 H new ATOM 0 HB3 GLU A 109 1.650 13.953 7.323 1.00 1.69 H new ATOM 0 HG2 GLU A 109 -0.867 12.814 8.588 1.00 1.73 H new ATOM 0 HG3 GLU A 109 0.480 13.476 9.492 1.00 1.73 H new ATOM 1800 N GLU A 110 1.873 11.564 5.176 1.00 1.49 N ATOM 1801 CA GLU A 110 2.881 11.024 4.273 1.00 1.63 C ATOM 1802 C GLU A 110 3.881 12.054 3.733 1.00 1.78 C ATOM 1803 O GLU A 110 3.856 13.228 4.115 1.00 2.20 O ATOM 1804 CB GLU A 110 2.224 10.279 3.142 1.00 2.09 C ATOM 1805 CG GLU A 110 2.395 8.777 3.256 1.00 2.83 C ATOM 1806 CD GLU A 110 3.819 8.403 3.617 1.00 3.38 C ATOM 1807 OE1 GLU A 110 4.746 8.753 2.851 1.00 3.86 O ATOM 1808 OE2 GLU A 110 4.024 7.793 4.687 1.00 3.86 O ATOM 0 H GLU A 110 1.748 10.994 6.013 1.00 1.49 H new ATOM 0 HA GLU A 110 3.476 10.340 4.878 1.00 1.63 H new ATOM 0 HB2 GLU A 110 1.161 10.519 3.122 1.00 2.09 H new ATOM 0 HB3 GLU A 110 2.645 10.618 2.195 1.00 2.09 H new ATOM 0 HG2 GLU A 110 1.713 8.389 4.013 1.00 2.83 H new ATOM 0 HG3 GLU A 110 2.123 8.307 2.311 1.00 2.83 H new ATOM 1815 N GLN A 111 4.774 11.552 2.869 1.00 1.93 N ATOM 1816 CA GLN A 111 5.854 12.321 2.241 1.00 2.44 C ATOM 1817 C GLN A 111 6.299 13.524 3.061 1.00 2.84 C ATOM 1818 O GLN A 111 6.001 14.675 2.733 1.00 3.22 O ATOM 1819 CB GLN A 111 5.480 12.724 0.830 1.00 2.97 C ATOM 1820 CG GLN A 111 5.765 11.629 -0.187 1.00 3.66 C ATOM 1821 CD GLN A 111 5.716 12.116 -1.622 1.00 4.54 C ATOM 1822 OE1 GLN A 111 6.015 11.367 -2.552 1.00 5.12 O ATOM 1823 NE2 GLN A 111 5.345 13.374 -1.810 1.00 5.02 N ATOM 0 H GLN A 111 4.764 10.574 2.581 1.00 1.93 H new ATOM 0 HA GLN A 111 6.717 11.656 2.197 1.00 2.44 H new ATOM 0 HB2 GLN A 111 4.420 12.978 0.798 1.00 2.97 H new ATOM 0 HB3 GLN A 111 6.032 13.623 0.555 1.00 2.97 H new ATOM 0 HG2 GLN A 111 6.749 11.205 0.012 1.00 3.66 H new ATOM 0 HG3 GLN A 111 5.040 10.825 -0.058 1.00 3.66 H new ATOM 0 HE21 GLN A 111 5.106 13.960 -1.010 1.00 5.02 H new ATOM 0 HE22 GLN A 111 5.299 13.756 -2.754 1.00 5.02 H new ATOM 1832 N GLU A 112 7.026 13.213 4.129 1.00 3.29 N ATOM 1833 CA GLU A 112 7.563 14.194 5.062 1.00 4.12 C ATOM 1834 C GLU A 112 8.375 15.275 4.352 1.00 4.19 C ATOM 1835 O GLU A 112 8.271 16.457 4.686 1.00 4.69 O ATOM 1836 CB GLU A 112 8.427 13.456 6.082 1.00 5.03 C ATOM 1837 CG GLU A 112 9.354 12.447 5.431 1.00 5.36 C ATOM 1838 CD GLU A 112 10.203 11.696 6.425 1.00 6.31 C ATOM 1839 OE1 GLU A 112 11.071 12.324 7.068 1.00 6.81 O ATOM 1840 OE2 GLU A 112 10.014 10.475 6.558 1.00 6.83 O ATOM 0 H GLU A 112 7.263 12.252 4.374 1.00 3.29 H new ATOM 0 HA GLU A 112 6.737 14.703 5.558 1.00 4.12 H new ATOM 0 HB2 GLU A 112 9.018 14.179 6.644 1.00 5.03 H new ATOM 0 HB3 GLU A 112 7.783 12.945 6.798 1.00 5.03 H new ATOM 0 HG2 GLU A 112 8.761 11.735 4.858 1.00 5.36 H new ATOM 0 HG3 GLU A 112 10.004 12.963 4.724 1.00 5.36 H new ATOM 1847 N LYS A 113 9.185 14.877 3.371 1.00 3.97 N ATOM 1848 CA LYS A 113 9.993 15.835 2.637 1.00 4.36 C ATOM 1849 C LYS A 113 9.120 16.718 1.753 1.00 4.15 C ATOM 1850 O LYS A 113 9.060 17.935 1.963 1.00 4.65 O ATOM 1851 CB LYS A 113 11.058 15.136 1.789 1.00 4.79 C ATOM 1852 CG LYS A 113 12.310 14.755 2.566 1.00 5.55 C ATOM 1853 CD LYS A 113 12.163 13.423 3.297 1.00 5.63 C ATOM 1854 CE LYS A 113 13.269 13.242 4.321 1.00 6.48 C ATOM 1855 NZ LYS A 113 13.444 11.827 4.724 1.00 7.06 N ATOM 0 H LYS A 113 9.295 13.908 3.073 1.00 3.97 H new ATOM 0 HA LYS A 113 10.499 16.462 3.371 1.00 4.36 H new ATOM 0 HB2 LYS A 113 10.627 14.236 1.350 1.00 4.79 H new ATOM 0 HB3 LYS A 113 11.339 15.790 0.964 1.00 4.79 H new ATOM 0 HG2 LYS A 113 13.156 14.698 1.881 1.00 5.55 H new ATOM 0 HG3 LYS A 113 12.538 15.539 3.288 1.00 5.55 H new ATOM 0 HD2 LYS A 113 11.193 13.381 3.792 1.00 5.63 H new ATOM 0 HD3 LYS A 113 12.190 12.604 2.578 1.00 5.63 H new ATOM 0 HE2 LYS A 113 14.206 13.618 3.909 1.00 6.48 H new ATOM 0 HE3 LYS A 113 13.045 13.842 5.203 1.00 6.48 H new ATOM 0 HZ1 LYS A 113 14.187 11.762 5.449 1.00 7.06 H new ATOM 0 HZ2 LYS A 113 12.550 11.463 5.111 1.00 7.06 H new ATOM 0 HZ3 LYS A 113 13.718 11.261 3.895 1.00 7.06 H new ATOM 1869 N TYR A 114 8.448 16.101 0.771 1.00 3.80 N ATOM 1870 CA TYR A 114 7.579 16.824 -0.163 1.00 4.21 C ATOM 1871 C TYR A 114 8.313 18.053 -0.689 1.00 4.57 C ATOM 1872 O TYR A 114 7.893 19.193 -0.479 1.00 5.17 O ATOM 1873 CB TYR A 114 6.256 17.216 0.520 1.00 4.58 C ATOM 1874 CG TYR A 114 5.159 17.636 -0.443 1.00 5.45 C ATOM 1875 CD1 TYR A 114 4.764 16.801 -1.486 1.00 5.90 C ATOM 1876 CD2 TYR A 114 4.515 18.861 -0.309 1.00 6.18 C ATOM 1877 CE1 TYR A 114 3.764 17.179 -2.364 1.00 6.94 C ATOM 1878 CE2 TYR A 114 3.513 19.241 -1.188 1.00 7.17 C ATOM 1879 CZ TYR A 114 3.146 18.396 -2.213 1.00 7.49 C ATOM 1880 OH TYR A 114 2.145 18.765 -3.083 1.00 8.62 O ATOM 0 H TYR A 114 8.492 15.096 0.604 1.00 3.80 H new ATOM 0 HA TYR A 114 7.334 16.175 -1.004 1.00 4.21 H new ATOM 0 HB2 TYR A 114 5.901 16.372 1.111 1.00 4.58 H new ATOM 0 HB3 TYR A 114 6.447 18.034 1.215 1.00 4.58 H new ATOM 0 HD1 TYR A 114 5.246 15.843 -1.611 1.00 5.90 H new ATOM 0 HD2 TYR A 114 4.800 19.527 0.492 1.00 6.18 H new ATOM 0 HE1 TYR A 114 3.470 16.519 -3.166 1.00 6.94 H new ATOM 0 HE2 TYR A 114 3.022 20.196 -1.070 1.00 7.17 H new ATOM 0 HH TYR A 114 1.652 19.526 -2.711 1.00 8.62 H new ATOM 1890 N ALA A 115 9.439 17.791 -1.338 1.00 4.51 N ATOM 1891 CA ALA A 115 10.296 18.836 -1.880 1.00 5.16 C ATOM 1892 C ALA A 115 9.577 19.711 -2.901 1.00 5.46 C ATOM 1893 O ALA A 115 9.774 20.926 -2.935 1.00 5.73 O ATOM 1894 CB ALA A 115 11.536 18.208 -2.501 1.00 5.63 C ATOM 0 H ALA A 115 9.785 16.846 -1.504 1.00 4.51 H new ATOM 0 HA ALA A 115 10.583 19.487 -1.054 1.00 5.16 H new ATOM 0 HB1 ALA A 115 12.176 18.991 -2.906 1.00 5.63 H new ATOM 0 HB2 ALA A 115 12.082 17.651 -1.740 1.00 5.63 H new ATOM 0 HB3 ALA A 115 11.239 17.532 -3.302 1.00 5.63 H new ATOM 1900 N ALA A 116 8.757 19.093 -3.734 1.00 5.86 N ATOM 1901 CA ALA A 116 8.039 19.828 -4.757 1.00 6.58 C ATOM 1902 C ALA A 116 6.539 19.734 -4.563 1.00 7.22 C ATOM 1903 O ALA A 116 5.963 18.650 -4.640 1.00 7.70 O ATOM 1904 CB ALA A 116 8.414 19.310 -6.136 1.00 7.03 C ATOM 0 H ALA A 116 8.574 18.090 -3.721 1.00 5.86 H new ATOM 0 HA ALA A 116 8.325 20.876 -4.672 1.00 6.58 H new ATOM 0 HB1 ALA A 116 7.868 19.870 -6.896 1.00 7.03 H new ATOM 0 HB2 ALA A 116 9.485 19.435 -6.293 1.00 7.03 H new ATOM 0 HB3 ALA A 116 8.157 18.253 -6.210 1.00 7.03 H new ATOM 1910 N GLU A 117 5.911 20.876 -4.336 1.00 7.53 N ATOM 1911 CA GLU A 117 4.472 20.931 -4.169 1.00 8.41 C ATOM 1912 C GLU A 117 3.817 20.807 -5.540 1.00 9.09 C ATOM 1913 O GLU A 117 4.031 21.664 -6.404 1.00 9.58 O ATOM 1914 CB GLU A 117 4.057 22.246 -3.503 1.00 8.83 C ATOM 1915 CG GLU A 117 2.586 22.305 -3.138 1.00 9.18 C ATOM 1916 CD GLU A 117 2.170 23.666 -2.625 1.00 9.82 C ATOM 1917 OE1 GLU A 117 2.223 24.635 -3.406 1.00 10.40 O ATOM 1918 OE2 GLU A 117 1.791 23.772 -1.440 1.00 9.94 O ATOM 0 H GLU A 117 6.379 21.779 -4.263 1.00 7.53 H new ATOM 0 HA GLU A 117 4.149 20.112 -3.527 1.00 8.41 H new ATOM 0 HB2 GLU A 117 4.652 22.390 -2.601 1.00 8.83 H new ATOM 0 HB3 GLU A 117 4.289 23.073 -4.174 1.00 8.83 H new ATOM 0 HG2 GLU A 117 1.988 22.052 -4.013 1.00 9.18 H new ATOM 0 HG3 GLU A 117 2.373 21.553 -2.378 1.00 9.18 H new ATOM 1925 N ARG A 118 3.059 19.725 -5.736 1.00 9.35 N ATOM 1926 CA ARG A 118 2.384 19.440 -7.003 1.00 10.23 C ATOM 1927 C ARG A 118 3.377 18.867 -8.014 1.00 10.76 C ATOM 1928 O ARG A 118 3.212 17.729 -8.465 1.00 11.00 O ATOM 1929 CB ARG A 118 1.682 20.690 -7.570 1.00 10.61 C ATOM 1930 CG ARG A 118 1.149 20.510 -8.981 1.00 11.18 C ATOM 1931 CD ARG A 118 0.737 21.839 -9.600 1.00 11.87 C ATOM 1932 NE ARG A 118 -0.516 22.362 -9.055 1.00 12.16 N ATOM 1933 CZ ARG A 118 -1.142 23.436 -9.544 1.00 12.66 C ATOM 1934 NH1 ARG A 118 -0.522 24.218 -10.423 1.00 12.91 N ATOM 1935 NH2 ARG A 118 -2.279 23.842 -8.997 1.00 13.09 N ATOM 0 H ARG A 118 2.896 19.020 -5.017 1.00 9.35 H new ATOM 0 HA ARG A 118 1.611 18.696 -6.810 1.00 10.23 H new ATOM 0 HB2 ARG A 118 0.856 20.961 -6.912 1.00 10.61 H new ATOM 0 HB3 ARG A 118 2.384 21.524 -7.561 1.00 10.61 H new ATOM 0 HG2 ARG A 118 1.912 20.040 -9.601 1.00 11.18 H new ATOM 0 HG3 ARG A 118 0.293 19.835 -8.964 1.00 11.18 H new ATOM 0 HD2 ARG A 118 1.530 22.570 -9.438 1.00 11.87 H new ATOM 0 HD3 ARG A 118 0.633 21.714 -10.678 1.00 11.87 H new ATOM 0 HE ARG A 118 -0.934 21.881 -8.259 1.00 12.16 H new ATOM 0 HH11 ARG A 118 0.428 23.997 -10.721 1.00 12.91 H new ATOM 0 HH12 ARG A 118 -0.996 25.039 -10.799 1.00 12.91 H new ATOM 0 HH21 ARG A 118 -2.674 23.335 -8.205 1.00 13.09 H new ATOM 0 HH22 ARG A 118 -2.759 24.662 -9.368 1.00 13.09 H new ATOM 1949 N ASP A 119 4.399 19.648 -8.357 1.00 11.16 N ATOM 1950 CA ASP A 119 5.420 19.230 -9.310 1.00 11.89 C ATOM 1951 C ASP A 119 6.454 20.327 -9.496 1.00 12.21 C ATOM 1952 O ASP A 119 6.406 21.314 -8.741 1.00 0.00 O ATOM 1953 CB ASP A 119 4.786 18.884 -10.656 1.00 12.51 C ATOM 1954 CG ASP A 119 4.261 20.092 -11.421 1.00 13.33 C ATOM 1955 OD1 ASP A 119 3.990 21.146 -10.807 1.00 13.75 O ATOM 1956 OD2 ASP A 119 4.069 19.975 -12.650 1.00 13.70 O ATOM 1957 OXT ASP A 119 7.314 20.193 -10.390 1.00 0.00 O ATOM 0 H ASP A 119 4.541 20.586 -7.982 1.00 11.16 H new ATOM 0 HA ASP A 119 5.913 18.343 -8.913 1.00 11.89 H new ATOM 0 HB2 ASP A 119 5.523 18.369 -11.272 1.00 12.51 H new ATOM 0 HB3 ASP A 119 3.965 18.186 -10.491 1.00 12.51 H new TER 1962 ASP A 119