USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 879 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 13 MET CE :methyl -120:sc= -0.0746 (180deg=-5.15!) USER MOD Set 1.2: A 49 MET CE :methyl -178:sc= -0.0261 (180deg=-0.0431) USER MOD Set 1.3: A 74 MET CE :methyl 178:sc= -1.18 (180deg=-1.25) USER MOD Set 2.1: A 6 CYS SG : rot -19:sc= 1.21 USER MOD Set 2.2: A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 5 CYS SG : rot 180:sc= -1.17 USER MOD Single : A 1 GLU N :NH3+ -178:sc= 0 (180deg=-0.00695) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 71:sc= -0.895 USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= -0.0825 (180deg=-0.423) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-4.1!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -92:sc= 0.236 USER MOD Single : A 27 LYS NZ :NH3+ -122:sc= 0.351 (180deg=-0.202) USER MOD Single : A 37 HIS : no HD1:sc=-0.00419 X(o=-0.0042,f=-0.016) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 MET CE :methyl 126:sc= -0.0896 (180deg=-1.01) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 10:sc= 0.98 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.4) USER MOD Single : A 78 CYS SG : rot 80:sc= 1.33 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 160:sc=-0.00744 (180deg=-0.58) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -4.82! C(o=-4.8!,f=-6.6!) USER MOD Single : A 86 HIS : no HD1:sc= -2.18! K(o=-2.2!,f=-1.3) USER MOD Single : A 91 MET CE :methyl -106:sc= -0.208 (180deg=-2.17!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 101 MET CE :methyl 153:sc= -0.161 (180deg=-0.772) USER MOD Single : A 105 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.18) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 173.133 -18.097 10.879 1.00 0.00 N ATOM 2 CA GLU A 1 173.042 -17.934 9.403 1.00 0.00 C ATOM 3 C GLU A 1 173.717 -16.645 8.943 1.00 0.00 C ATOM 4 O GLU A 1 173.659 -15.625 9.631 1.00 0.00 O ATOM 5 CB GLU A 1 171.566 -17.920 8.994 1.00 0.00 C ATOM 6 CG GLU A 1 171.289 -18.654 7.691 1.00 0.00 C ATOM 7 CD GLU A 1 171.265 -20.161 7.863 1.00 0.00 C ATOM 8 OE1 GLU A 1 170.454 -20.655 8.675 1.00 0.00 O ATOM 9 OE2 GLU A 1 172.060 -20.847 7.187 1.00 0.00 O ATOM 0 H1 GLU A 1 172.695 -18.999 11.156 1.00 0.00 H new ATOM 0 H2 GLU A 1 174.132 -18.094 11.168 1.00 0.00 H new ATOM 0 H3 GLU A 1 172.635 -17.312 11.346 1.00 0.00 H new ATOM 0 HA GLU A 1 173.558 -18.768 8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 1 170.973 -18.372 9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 1 171.234 -16.886 8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 1 170.332 -18.323 7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 1 172.052 -18.388 6.959 1.00 0.00 H new ATOM 18 N GLN A 2 174.344 -16.698 7.771 1.00 0.00 N ATOM 19 CA GLN A 2 175.021 -15.533 7.208 1.00 0.00 C ATOM 20 C GLN A 2 174.011 -14.465 6.785 1.00 0.00 C ATOM 21 O GLN A 2 174.282 -13.268 6.895 1.00 0.00 O ATOM 22 CB GLN A 2 175.884 -15.941 6.010 1.00 0.00 C ATOM 23 CG GLN A 2 176.934 -16.988 6.344 1.00 0.00 C ATOM 24 CD GLN A 2 177.093 -18.025 5.249 1.00 0.00 C ATOM 25 OE1 GLN A 2 177.967 -17.906 4.390 1.00 0.00 O ATOM 26 NE2 GLN A 2 176.245 -19.049 5.271 1.00 0.00 N ATOM 0 H GLN A 2 174.397 -17.536 7.192 1.00 0.00 H new ATOM 0 HA GLN A 2 175.665 -15.113 7.981 1.00 0.00 H new ATOM 0 HB2 GLN A 2 175.237 -16.326 5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 2 176.380 -15.056 5.612 1.00 0.00 H new ATOM 0 HG2 GLN A 2 177.891 -16.496 6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 2 176.662 -17.486 7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 2 175.536 -19.108 6.002 1.00 0.00 H new ATOM 0 HE22 GLN A 2 176.304 -19.775 4.557 1.00 0.00 H new ATOM 35 N LEU A 3 172.846 -14.907 6.301 1.00 0.00 N ATOM 36 CA LEU A 3 171.795 -13.992 5.858 1.00 0.00 C ATOM 37 C LEU A 3 171.225 -13.185 7.024 1.00 0.00 C ATOM 38 O LEU A 3 171.067 -11.967 6.923 1.00 0.00 O ATOM 39 CB LEU A 3 170.672 -14.769 5.166 1.00 0.00 C ATOM 40 CG LEU A 3 170.874 -15.005 3.668 1.00 0.00 C ATOM 41 CD1 LEU A 3 169.948 -16.106 3.172 1.00 0.00 C ATOM 42 CD2 LEU A 3 170.642 -13.716 2.891 1.00 0.00 C ATOM 0 H LEU A 3 172.609 -15.895 6.207 1.00 0.00 H new ATOM 0 HA LEU A 3 172.242 -13.294 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 3 170.563 -15.735 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 3 169.736 -14.230 5.310 1.00 0.00 H new ATOM 0 HG LEU A 3 171.903 -15.324 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 3 170.105 -16.260 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 3 170.162 -17.031 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 3 168.912 -15.817 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 3 170.790 -13.901 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 3 169.623 -13.367 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 3 171.347 -12.956 3.228 1.00 0.00 H new ATOM 54 N LYS A 4 170.916 -13.866 8.131 1.00 0.00 N ATOM 55 CA LYS A 4 170.364 -13.196 9.309 1.00 0.00 C ATOM 56 C LYS A 4 171.411 -12.302 9.977 1.00 0.00 C ATOM 57 O LYS A 4 171.072 -11.262 10.544 1.00 0.00 O ATOM 58 CB LYS A 4 169.810 -14.212 10.318 1.00 0.00 C ATOM 59 CG LYS A 4 170.868 -15.095 10.966 1.00 0.00 C ATOM 60 CD LYS A 4 170.877 -14.929 12.479 1.00 0.00 C ATOM 61 CE LYS A 4 172.248 -15.230 13.070 1.00 0.00 C ATOM 62 NZ LYS A 4 172.731 -14.129 13.950 1.00 0.00 N ATOM 0 H LYS A 4 171.038 -14.873 8.235 1.00 0.00 H new ATOM 0 HA LYS A 4 169.541 -12.567 8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 4 169.274 -13.674 11.100 1.00 0.00 H new ATOM 0 HB3 LYS A 4 169.083 -14.848 9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 4 170.678 -16.138 10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 4 171.850 -14.844 10.565 1.00 0.00 H new ATOM 0 HD2 LYS A 4 170.586 -13.910 12.735 1.00 0.00 H new ATOM 0 HD3 LYS A 4 170.136 -15.594 12.923 1.00 0.00 H new ATOM 0 HE2 LYS A 4 172.201 -16.157 13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 4 172.963 -15.389 12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 173.667 -14.374 14.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 172.801 -13.250 13.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 172.062 -13.993 14.735 1.00 0.00 H new ATOM 76 N CYS A 5 172.683 -12.707 9.904 1.00 0.00 N ATOM 77 CA CYS A 5 173.770 -11.931 10.498 1.00 0.00 C ATOM 78 C CYS A 5 173.961 -10.608 9.756 1.00 0.00 C ATOM 79 O CYS A 5 174.179 -9.568 10.377 1.00 0.00 O ATOM 80 CB CYS A 5 175.075 -12.732 10.486 1.00 0.00 C ATOM 81 SG CYS A 5 175.888 -12.843 12.098 1.00 0.00 S ATOM 0 H CYS A 5 172.982 -13.565 9.441 1.00 0.00 H new ATOM 0 HA CYS A 5 173.502 -11.714 11.532 1.00 0.00 H new ATOM 0 HB2 CYS A 5 174.867 -13.740 10.126 1.00 0.00 H new ATOM 0 HB3 CYS A 5 175.763 -12.275 9.775 1.00 0.00 H new ATOM 0 HG CYS A 5 176.980 -13.540 11.986 1.00 0.00 H new ATOM 87 N CYS A 6 173.869 -10.658 8.423 1.00 0.00 N ATOM 88 CA CYS A 6 174.021 -9.464 7.590 1.00 0.00 C ATOM 89 C CYS A 6 172.913 -8.452 7.882 1.00 0.00 C ATOM 90 O CYS A 6 173.157 -7.244 7.911 1.00 0.00 O ATOM 91 CB CYS A 6 173.995 -9.839 6.106 1.00 0.00 C ATOM 92 SG CYS A 6 175.449 -10.756 5.544 1.00 0.00 S ATOM 0 H CYS A 6 173.690 -11.514 7.899 1.00 0.00 H new ATOM 0 HA CYS A 6 174.983 -9.010 7.828 1.00 0.00 H new ATOM 0 HB2 CYS A 6 173.105 -10.437 5.910 1.00 0.00 H new ATOM 0 HB3 CYS A 6 173.904 -8.928 5.515 1.00 0.00 H new ATOM 0 HG CYS A 6 176.423 -10.584 6.387 1.00 0.00 H new ATOM 98 N SER A 7 171.695 -8.959 8.098 1.00 0.00 N ATOM 99 CA SER A 7 170.540 -8.108 8.390 1.00 0.00 C ATOM 100 C SER A 7 170.793 -7.232 9.616 1.00 0.00 C ATOM 101 O SER A 7 170.348 -6.085 9.663 1.00 0.00 O ATOM 102 CB SER A 7 169.288 -8.962 8.612 1.00 0.00 C ATOM 103 OG SER A 7 168.911 -9.634 7.423 1.00 0.00 O ATOM 0 H SER A 7 171.485 -9.957 8.076 1.00 0.00 H new ATOM 0 HA SER A 7 170.382 -7.458 7.530 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.476 -9.690 9.401 1.00 0.00 H new ATOM 0 HB3 SER A 7 168.468 -8.329 8.951 1.00 0.00 H new ATOM 0 HG SER A 7 169.558 -10.344 7.229 1.00 0.00 H new ATOM 109 N GLY A 8 171.513 -7.777 10.602 1.00 0.00 N ATOM 110 CA GLY A 8 171.815 -7.028 11.811 1.00 0.00 C ATOM 111 C GLY A 8 172.591 -5.753 11.530 1.00 0.00 C ATOM 112 O GLY A 8 172.292 -4.705 12.102 1.00 0.00 O ATOM 0 H GLY A 8 171.891 -8.724 10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 8 170.885 -6.778 12.321 1.00 0.00 H new ATOM 0 HA3 GLY A 8 172.391 -7.657 12.489 1.00 0.00 H new ATOM 116 N ILE A 9 173.581 -5.841 10.639 1.00 0.00 N ATOM 117 CA ILE A 9 174.394 -4.682 10.278 1.00 0.00 C ATOM 118 C ILE A 9 173.547 -3.631 9.565 1.00 0.00 C ATOM 119 O ILE A 9 173.594 -2.448 9.906 1.00 0.00 O ATOM 120 CB ILE A 9 175.587 -5.073 9.376 1.00 0.00 C ATOM 121 CG1 ILE A 9 176.379 -6.228 10.000 1.00 0.00 C ATOM 122 CG2 ILE A 9 176.493 -3.869 9.143 1.00 0.00 C ATOM 123 CD1 ILE A 9 177.147 -7.054 8.990 1.00 0.00 C ATOM 0 H ILE A 9 173.837 -6.702 10.156 1.00 0.00 H new ATOM 0 HA ILE A 9 174.787 -4.268 11.207 1.00 0.00 H new ATOM 0 HB ILE A 9 175.198 -5.405 8.414 1.00 0.00 H new ATOM 0 HG12 ILE A 9 177.078 -5.824 10.732 1.00 0.00 H new ATOM 0 HG13 ILE A 9 175.691 -6.878 10.541 1.00 0.00 H new ATOM 0 HG21 ILE A 9 177.328 -4.160 8.506 1.00 0.00 H new ATOM 0 HG22 ILE A 9 175.926 -3.075 8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 9 176.874 -3.510 10.099 1.00 0.00 H new ATOM 0 HD11 ILE A 9 177.683 -7.852 9.504 1.00 0.00 H new ATOM 0 HD12 ILE A 9 176.452 -7.488 8.271 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.860 -6.417 8.466 1.00 0.00 H new ATOM 135 N LEU A 10 172.761 -4.072 8.582 1.00 0.00 N ATOM 136 CA LEU A 10 171.893 -3.167 7.832 1.00 0.00 C ATOM 137 C LEU A 10 170.838 -2.542 8.749 1.00 0.00 C ATOM 138 O LEU A 10 170.471 -1.379 8.579 1.00 0.00 O ATOM 139 CB LEU A 10 171.215 -3.902 6.670 1.00 0.00 C ATOM 140 CG LEU A 10 171.210 -3.144 5.338 1.00 0.00 C ATOM 141 CD1 LEU A 10 170.936 -4.095 4.181 1.00 0.00 C ATOM 142 CD2 LEU A 10 170.180 -2.021 5.365 1.00 0.00 C ATOM 0 H LEU A 10 172.708 -5.047 8.288 1.00 0.00 H new ATOM 0 HA LEU A 10 172.513 -2.370 7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 10 171.716 -4.859 6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 10 170.185 -4.121 6.950 1.00 0.00 H new ATOM 0 HG LEU A 10 172.196 -2.702 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 10 170.936 -3.538 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 10 171.711 -4.861 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 10 169.964 -4.568 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 10 170.191 -1.494 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 10 169.189 -2.441 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 10 170.423 -1.324 6.167 1.00 0.00 H new ATOM 154 N LYS A 11 170.356 -3.324 9.722 1.00 0.00 N ATOM 155 CA LYS A 11 169.347 -2.847 10.668 1.00 0.00 C ATOM 156 C LYS A 11 169.836 -1.615 11.428 1.00 0.00 C ATOM 157 O LYS A 11 169.035 -0.761 11.796 1.00 0.00 O ATOM 158 CB LYS A 11 168.972 -3.954 11.659 1.00 0.00 C ATOM 159 CG LYS A 11 167.492 -4.305 11.644 1.00 0.00 C ATOM 160 CD LYS A 11 167.051 -4.935 12.959 1.00 0.00 C ATOM 161 CE LYS A 11 166.159 -6.150 12.733 1.00 0.00 C ATOM 162 NZ LYS A 11 166.870 -7.247 12.011 1.00 0.00 N ATOM 0 H LYS A 11 170.650 -4.289 9.873 1.00 0.00 H new ATOM 0 HA LYS A 11 168.464 -2.567 10.094 1.00 0.00 H new ATOM 0 HB2 LYS A 11 169.552 -4.848 11.430 1.00 0.00 H new ATOM 0 HB3 LYS A 11 169.253 -3.641 12.665 1.00 0.00 H new ATOM 0 HG2 LYS A 11 166.906 -3.405 11.457 1.00 0.00 H new ATOM 0 HG3 LYS A 11 167.289 -4.994 10.824 1.00 0.00 H new ATOM 0 HD2 LYS A 11 167.929 -5.230 13.533 1.00 0.00 H new ATOM 0 HD3 LYS A 11 166.515 -4.196 13.554 1.00 0.00 H new ATOM 0 HE2 LYS A 11 165.804 -6.521 13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 11 165.280 -5.852 12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 166.393 -8.152 12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 166.858 -7.055 10.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 167.855 -7.299 12.342 1.00 0.00 H new ATOM 176 N GLU A 12 171.152 -1.523 11.649 1.00 0.00 N ATOM 177 CA GLU A 12 171.744 -0.381 12.354 1.00 0.00 C ATOM 178 C GLU A 12 171.424 0.928 11.633 1.00 0.00 C ATOM 179 O GLU A 12 171.183 1.953 12.277 1.00 0.00 O ATOM 180 CB GLU A 12 173.262 -0.565 12.476 1.00 0.00 C ATOM 181 CG GLU A 12 173.950 0.499 13.323 1.00 0.00 C ATOM 182 CD GLU A 12 175.434 0.233 13.538 1.00 0.00 C ATOM 183 OE1 GLU A 12 175.816 -0.946 13.699 1.00 0.00 O ATOM 184 OE2 GLU A 12 176.214 1.207 13.553 1.00 0.00 O ATOM 0 H GLU A 12 171.828 -2.226 11.350 1.00 0.00 H new ATOM 0 HA GLU A 12 171.313 -0.333 13.354 1.00 0.00 H new ATOM 0 HB2 GLU A 12 173.465 -1.545 12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 12 173.700 -0.559 11.478 1.00 0.00 H new ATOM 0 HG2 GLU A 12 173.828 1.470 12.843 1.00 0.00 H new ATOM 0 HG3 GLU A 12 173.455 0.558 14.292 1.00 0.00 H new ATOM 191 N MET A 13 171.403 0.886 10.299 1.00 0.00 N ATOM 192 CA MET A 13 171.088 2.068 9.500 1.00 0.00 C ATOM 193 C MET A 13 169.701 2.603 9.863 1.00 0.00 C ATOM 194 O MET A 13 169.485 3.814 9.900 1.00 0.00 O ATOM 195 CB MET A 13 171.148 1.739 8.006 1.00 0.00 C ATOM 196 CG MET A 13 172.147 2.587 7.237 1.00 0.00 C ATOM 197 SD MET A 13 173.759 1.794 7.084 1.00 0.00 S ATOM 198 CE MET A 13 173.418 0.573 5.819 1.00 0.00 C ATOM 0 H MET A 13 171.600 0.048 9.752 1.00 0.00 H new ATOM 0 HA MET A 13 171.830 2.836 9.718 1.00 0.00 H new ATOM 0 HB2 MET A 13 171.407 0.687 7.884 1.00 0.00 H new ATOM 0 HB3 MET A 13 170.158 1.876 7.572 1.00 0.00 H new ATOM 0 HG2 MET A 13 171.752 2.794 6.242 1.00 0.00 H new ATOM 0 HG3 MET A 13 172.265 3.547 7.739 1.00 0.00 H new ATOM 0 HE1 MET A 13 173.606 -0.425 6.216 1.00 0.00 H new ATOM 0 HE2 MET A 13 172.375 0.650 5.511 1.00 0.00 H new ATOM 0 HE3 MET A 13 174.065 0.749 4.959 1.00 0.00 H new ATOM 208 N PHE A 14 168.769 1.686 10.136 1.00 0.00 N ATOM 209 CA PHE A 14 167.404 2.051 10.507 1.00 0.00 C ATOM 210 C PHE A 14 167.153 1.862 12.012 1.00 0.00 C ATOM 211 O PHE A 14 166.026 2.037 12.480 1.00 0.00 O ATOM 212 CB PHE A 14 166.402 1.216 9.708 1.00 0.00 C ATOM 213 CG PHE A 14 165.583 2.020 8.739 1.00 0.00 C ATOM 214 CD1 PHE A 14 166.047 2.267 7.457 1.00 0.00 C ATOM 215 CD2 PHE A 14 164.347 2.525 9.110 1.00 0.00 C ATOM 216 CE1 PHE A 14 165.294 3.003 6.562 1.00 0.00 C ATOM 217 CE2 PHE A 14 163.589 3.260 8.219 1.00 0.00 C ATOM 218 CZ PHE A 14 164.063 3.500 6.944 1.00 0.00 C ATOM 0 H PHE A 14 168.939 0.681 10.106 1.00 0.00 H new ATOM 0 HA PHE A 14 167.271 3.107 10.274 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.941 0.443 9.160 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.732 0.707 10.401 1.00 0.00 H new ATOM 0 HD1 PHE A 14 167.008 1.880 7.154 1.00 0.00 H new ATOM 0 HD2 PHE A 14 163.972 2.342 10.106 1.00 0.00 H new ATOM 0 HE1 PHE A 14 165.667 3.189 5.566 1.00 0.00 H new ATOM 0 HE2 PHE A 14 162.626 3.647 8.519 1.00 0.00 H new ATOM 0 HZ PHE A 14 163.472 4.075 6.247 1.00 0.00 H new ATOM 228 N ALA A 15 168.202 1.513 12.767 1.00 0.00 N ATOM 229 CA ALA A 15 168.078 1.314 14.211 1.00 0.00 C ATOM 230 C ALA A 15 168.425 2.590 14.981 1.00 0.00 C ATOM 231 O ALA A 15 168.706 2.543 16.180 1.00 0.00 O ATOM 232 CB ALA A 15 168.970 0.166 14.666 1.00 0.00 C ATOM 0 H ALA A 15 169.142 1.364 12.401 1.00 0.00 H new ATOM 0 HA ALA A 15 167.039 1.063 14.425 1.00 0.00 H new ATOM 0 HB1 ALA A 15 168.867 0.030 15.743 1.00 0.00 H new ATOM 0 HB2 ALA A 15 168.674 -0.750 14.154 1.00 0.00 H new ATOM 0 HB3 ALA A 15 170.008 0.395 14.427 1.00 0.00 H new ATOM 238 N LYS A 16 168.412 3.726 14.276 1.00 0.00 N ATOM 239 CA LYS A 16 168.728 5.027 14.870 1.00 0.00 C ATOM 240 C LYS A 16 170.204 5.109 15.265 1.00 0.00 C ATOM 241 O LYS A 16 170.554 5.699 16.288 1.00 0.00 O ATOM 242 CB LYS A 16 167.831 5.307 16.085 1.00 0.00 C ATOM 243 CG LYS A 16 166.467 5.871 15.723 1.00 0.00 C ATOM 244 CD LYS A 16 166.571 7.301 15.215 1.00 0.00 C ATOM 245 CE LYS A 16 165.210 7.852 14.820 1.00 0.00 C ATOM 246 NZ LYS A 16 165.325 9.080 13.983 1.00 0.00 N ATOM 0 H LYS A 16 168.183 3.769 13.283 1.00 0.00 H new ATOM 0 HA LYS A 16 168.535 5.791 14.117 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.694 4.382 16.645 1.00 0.00 H new ATOM 0 HB3 LYS A 16 168.340 6.008 16.747 1.00 0.00 H new ATOM 0 HG2 LYS A 16 166.005 5.245 14.959 1.00 0.00 H new ATOM 0 HG3 LYS A 16 165.816 5.841 16.597 1.00 0.00 H new ATOM 0 HD2 LYS A 16 167.010 7.932 15.988 1.00 0.00 H new ATOM 0 HD3 LYS A 16 167.242 7.335 14.357 1.00 0.00 H new ATOM 0 HE2 LYS A 16 164.656 7.090 14.271 1.00 0.00 H new ATOM 0 HE3 LYS A 16 164.636 8.078 15.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 164.374 9.422 13.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 165.831 9.817 14.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 165.850 8.859 13.113 1.00 0.00 H new ATOM 260 N LYS A 17 171.063 4.515 14.438 1.00 0.00 N ATOM 261 CA LYS A 17 172.504 4.519 14.686 1.00 0.00 C ATOM 262 C LYS A 17 173.272 5.011 13.458 1.00 0.00 C ATOM 263 O LYS A 17 174.249 5.751 13.586 1.00 0.00 O ATOM 264 CB LYS A 17 172.982 3.120 15.081 1.00 0.00 C ATOM 265 CG LYS A 17 172.317 2.586 16.341 1.00 0.00 C ATOM 266 CD LYS A 17 172.276 1.067 16.352 1.00 0.00 C ATOM 267 CE LYS A 17 171.385 0.541 17.466 1.00 0.00 C ATOM 268 NZ LYS A 17 171.521 -0.933 17.639 1.00 0.00 N ATOM 0 H LYS A 17 170.785 4.024 13.588 1.00 0.00 H new ATOM 0 HA LYS A 17 172.701 5.205 15.509 1.00 0.00 H new ATOM 0 HB2 LYS A 17 172.788 2.432 14.258 1.00 0.00 H new ATOM 0 HB3 LYS A 17 174.061 3.142 15.231 1.00 0.00 H new ATOM 0 HG2 LYS A 17 172.858 2.942 17.217 1.00 0.00 H new ATOM 0 HG3 LYS A 17 171.303 2.978 16.412 1.00 0.00 H new ATOM 0 HD2 LYS A 17 171.911 0.705 15.391 1.00 0.00 H new ATOM 0 HD3 LYS A 17 173.286 0.676 16.477 1.00 0.00 H new ATOM 0 HE2 LYS A 17 171.639 1.041 18.401 1.00 0.00 H new ATOM 0 HE3 LYS A 17 170.346 0.786 17.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 170.897 -1.251 18.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 171.254 -1.412 16.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 172.507 -1.165 17.874 1.00 0.00 H new ATOM 282 N HIS A 18 172.819 4.604 12.270 1.00 0.00 N ATOM 283 CA HIS A 18 173.454 5.009 11.020 1.00 0.00 C ATOM 284 C HIS A 18 172.454 5.690 10.081 1.00 0.00 C ATOM 285 O HIS A 18 172.696 5.793 8.878 1.00 0.00 O ATOM 286 CB HIS A 18 174.075 3.794 10.329 1.00 0.00 C ATOM 287 CG HIS A 18 175.552 3.682 10.533 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.402 4.767 10.493 1.00 0.00 N ATOM 289 CD2 HIS A 18 176.330 2.607 10.787 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.639 4.362 10.713 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.623 3.055 10.896 1.00 0.00 N ATOM 0 H HIS A 18 172.012 3.992 12.150 1.00 0.00 H new ATOM 0 HA HIS A 18 174.237 5.729 11.259 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.595 2.889 10.702 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.867 3.848 9.260 1.00 0.00 H new ATOM 0 HD1 HIS A 18 176.119 5.732 10.320 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.996 1.585 10.886 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.515 4.993 10.739 1.00 0.00 H new ATOM 300 N ALA A 19 171.336 6.163 10.636 1.00 0.00 N ATOM 301 CA ALA A 19 170.313 6.838 9.844 1.00 0.00 C ATOM 302 C ALA A 19 170.758 8.245 9.456 1.00 0.00 C ATOM 303 O ALA A 19 170.413 8.738 8.384 1.00 0.00 O ATOM 304 CB ALA A 19 169.000 6.894 10.608 1.00 0.00 C ATOM 0 H ALA A 19 171.119 6.090 11.630 1.00 0.00 H new ATOM 0 HA ALA A 19 170.164 6.264 8.929 1.00 0.00 H new ATOM 0 HB1 ALA A 19 168.248 7.401 10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.665 5.881 10.830 1.00 0.00 H new ATOM 0 HB3 ALA A 19 169.144 7.441 11.540 1.00 0.00 H new ATOM 310 N ALA A 20 171.530 8.885 10.337 1.00 0.00 N ATOM 311 CA ALA A 20 172.025 10.237 10.085 1.00 0.00 C ATOM 312 C ALA A 20 173.154 10.231 9.057 1.00 0.00 C ATOM 313 O ALA A 20 173.263 11.146 8.240 1.00 0.00 O ATOM 314 CB ALA A 20 172.492 10.885 11.382 1.00 0.00 C ATOM 0 H ALA A 20 171.825 8.488 11.229 1.00 0.00 H new ATOM 0 HA ALA A 20 171.202 10.823 9.677 1.00 0.00 H new ATOM 0 HB1 ALA A 20 172.857 11.891 11.175 1.00 0.00 H new ATOM 0 HB2 ALA A 20 171.659 10.938 12.083 1.00 0.00 H new ATOM 0 HB3 ALA A 20 173.295 10.290 11.818 1.00 0.00 H new ATOM 320 N TYR A 21 173.991 9.195 9.101 1.00 0.00 N ATOM 321 CA TYR A 21 175.109 9.071 8.171 1.00 0.00 C ATOM 322 C TYR A 21 174.651 8.502 6.828 1.00 0.00 C ATOM 323 O TYR A 21 175.195 8.857 5.782 1.00 0.00 O ATOM 324 CB TYR A 21 176.203 8.189 8.776 1.00 0.00 C ATOM 325 CG TYR A 21 177.169 8.947 9.660 1.00 0.00 C ATOM 326 CD1 TYR A 21 176.711 9.756 10.695 1.00 0.00 C ATOM 327 CD2 TYR A 21 178.539 8.856 9.457 1.00 0.00 C ATOM 328 CE1 TYR A 21 177.592 10.452 11.500 1.00 0.00 C ATOM 329 CE2 TYR A 21 179.426 9.548 10.259 1.00 0.00 C ATOM 330 CZ TYR A 21 178.948 10.344 11.277 1.00 0.00 C ATOM 331 OH TYR A 21 179.830 11.034 12.077 1.00 0.00 O ATOM 0 H TYR A 21 173.915 8.430 9.771 1.00 0.00 H new ATOM 0 HA TYR A 21 175.513 10.067 7.993 1.00 0.00 H new ATOM 0 HB2 TYR A 21 175.737 7.394 9.358 1.00 0.00 H new ATOM 0 HB3 TYR A 21 176.759 7.710 7.970 1.00 0.00 H new ATOM 0 HD1 TYR A 21 175.649 9.841 10.872 1.00 0.00 H new ATOM 0 HD2 TYR A 21 178.918 8.234 8.659 1.00 0.00 H new ATOM 0 HE1 TYR A 21 177.221 11.077 12.299 1.00 0.00 H new ATOM 0 HE2 TYR A 21 180.489 9.465 10.089 1.00 0.00 H new ATOM 0 HH TYR A 21 180.748 10.848 11.788 1.00 0.00 H new ATOM 341 N ALA A 22 173.646 7.621 6.861 1.00 0.00 N ATOM 342 CA ALA A 22 173.115 7.010 5.642 1.00 0.00 C ATOM 343 C ALA A 22 171.807 7.673 5.194 1.00 0.00 C ATOM 344 O ALA A 22 171.041 7.088 4.426 1.00 0.00 O ATOM 345 CB ALA A 22 172.900 5.517 5.852 1.00 0.00 C ATOM 0 H ALA A 22 173.185 7.316 7.719 1.00 0.00 H new ATOM 0 HA ALA A 22 173.850 7.162 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 22 172.505 5.074 4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.850 5.044 6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 22 172.192 5.362 6.666 1.00 0.00 H new ATOM 351 N TRP A 23 171.557 8.897 5.665 1.00 0.00 N ATOM 352 CA TRP A 23 170.346 9.627 5.302 1.00 0.00 C ATOM 353 C TRP A 23 170.325 9.947 3.807 1.00 0.00 C ATOM 354 O TRP A 23 169.340 9.663 3.124 1.00 0.00 O ATOM 355 CB TRP A 23 170.225 10.916 6.119 1.00 0.00 C ATOM 356 CG TRP A 23 168.848 11.146 6.665 1.00 0.00 C ATOM 357 CD1 TRP A 23 168.467 11.091 7.975 1.00 0.00 C ATOM 358 CD2 TRP A 23 167.668 11.467 5.917 1.00 0.00 C ATOM 359 NE1 TRP A 23 167.126 11.361 8.088 1.00 0.00 N ATOM 360 CE2 TRP A 23 166.612 11.593 6.839 1.00 0.00 C ATOM 361 CE3 TRP A 23 167.400 11.657 4.558 1.00 0.00 C ATOM 362 CZ2 TRP A 23 165.314 11.908 6.447 1.00 0.00 C ATOM 363 CZ3 TRP A 23 166.110 11.969 4.171 1.00 0.00 C ATOM 364 CH2 TRP A 23 165.081 12.089 5.112 1.00 0.00 C ATOM 0 H TRP A 23 172.178 9.401 6.298 1.00 0.00 H new ATOM 0 HA TRP A 23 169.492 8.988 5.528 1.00 0.00 H new ATOM 0 HB2 TRP A 23 170.935 10.882 6.946 1.00 0.00 H new ATOM 0 HB3 TRP A 23 170.506 11.763 5.492 1.00 0.00 H new ATOM 0 HD1 TRP A 23 169.125 10.868 8.802 1.00 0.00 H new ATOM 0 HE1 TRP A 23 166.598 11.385 8.960 1.00 0.00 H new ATOM 0 HE3 TRP A 23 168.186 11.562 3.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 164.519 12.006 7.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 165.893 12.123 3.124 1.00 0.00 H new ATOM 0 HH2 TRP A 23 164.083 12.329 4.777 1.00 0.00 H new ATOM 375 N PRO A 24 171.417 10.539 3.270 1.00 0.00 N ATOM 376 CA PRO A 24 171.508 10.886 1.844 1.00 0.00 C ATOM 377 C PRO A 24 171.229 9.697 0.922 1.00 0.00 C ATOM 378 O PRO A 24 170.808 9.882 -0.222 1.00 0.00 O ATOM 379 CB PRO A 24 172.954 11.357 1.678 1.00 0.00 C ATOM 380 CG PRO A 24 173.365 11.809 3.035 1.00 0.00 C ATOM 381 CD PRO A 24 172.643 10.916 4.003 1.00 0.00 C ATOM 0 HA PRO A 24 170.764 11.634 1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 24 173.594 10.551 1.319 1.00 0.00 H new ATOM 0 HB3 PRO A 24 173.025 12.168 0.953 1.00 0.00 H new ATOM 0 HG2 PRO A 24 174.445 11.731 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 24 173.100 12.854 3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 24 173.239 10.042 4.265 1.00 0.00 H new ATOM 0 HD3 PRO A 24 172.412 11.435 4.933 1.00 0.00 H new ATOM 389 N PHE A 25 171.463 8.481 1.425 1.00 0.00 N ATOM 390 CA PHE A 25 171.231 7.268 0.645 1.00 0.00 C ATOM 391 C PHE A 25 170.178 6.377 1.310 1.00 0.00 C ATOM 392 O PHE A 25 170.278 5.148 1.283 1.00 0.00 O ATOM 393 CB PHE A 25 172.546 6.502 0.466 1.00 0.00 C ATOM 394 CG PHE A 25 173.204 6.724 -0.870 1.00 0.00 C ATOM 395 CD1 PHE A 25 173.293 7.995 -1.419 1.00 0.00 C ATOM 396 CD2 PHE A 25 173.732 5.657 -1.577 1.00 0.00 C ATOM 397 CE1 PHE A 25 173.897 8.194 -2.646 1.00 0.00 C ATOM 398 CE2 PHE A 25 174.336 5.850 -2.804 1.00 0.00 C ATOM 399 CZ PHE A 25 174.418 7.120 -3.339 1.00 0.00 C ATOM 0 H PHE A 25 171.813 8.314 2.368 1.00 0.00 H new ATOM 0 HA PHE A 25 170.852 7.557 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.238 6.798 1.254 1.00 0.00 H new ATOM 0 HB3 PHE A 25 172.355 5.436 0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 25 172.886 8.838 -0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 25 173.671 4.661 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 25 173.961 9.189 -3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 25 174.744 5.008 -3.344 1.00 0.00 H new ATOM 0 HZ PHE A 25 174.889 7.273 -4.299 1.00 0.00 H new ATOM 409 N TYR A 26 169.162 7.007 1.902 1.00 0.00 N ATOM 410 CA TYR A 26 168.082 6.277 2.566 1.00 0.00 C ATOM 411 C TYR A 26 167.142 5.636 1.540 1.00 0.00 C ATOM 412 O TYR A 26 166.620 4.543 1.766 1.00 0.00 O ATOM 413 CB TYR A 26 167.289 7.215 3.485 1.00 0.00 C ATOM 414 CG TYR A 26 167.135 6.713 4.906 1.00 0.00 C ATOM 415 CD1 TYR A 26 168.204 6.141 5.589 1.00 0.00 C ATOM 416 CD2 TYR A 26 165.919 6.818 5.568 1.00 0.00 C ATOM 417 CE1 TYR A 26 168.063 5.691 6.888 1.00 0.00 C ATOM 418 CE2 TYR A 26 165.769 6.370 6.866 1.00 0.00 C ATOM 419 CZ TYR A 26 166.844 5.808 7.522 1.00 0.00 C ATOM 420 OH TYR A 26 166.697 5.364 8.818 1.00 0.00 O ATOM 0 H TYR A 26 169.065 8.022 1.935 1.00 0.00 H new ATOM 0 HA TYR A 26 168.531 5.485 3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 26 167.783 8.186 3.507 1.00 0.00 H new ATOM 0 HB3 TYR A 26 166.298 7.371 3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 26 169.160 6.047 5.096 1.00 0.00 H new ATOM 0 HD2 TYR A 26 165.075 7.258 5.058 1.00 0.00 H new ATOM 0 HE1 TYR A 26 168.903 5.250 7.404 1.00 0.00 H new ATOM 0 HE2 TYR A 26 164.815 6.459 7.364 1.00 0.00 H new ATOM 0 HH TYR A 26 166.387 4.434 8.812 1.00 0.00 H new ATOM 430 N LYS A 27 166.931 6.326 0.415 1.00 0.00 N ATOM 431 CA LYS A 27 166.054 5.832 -0.646 1.00 0.00 C ATOM 432 C LYS A 27 166.775 5.832 -1.994 1.00 0.00 C ATOM 433 O LYS A 27 167.804 6.492 -2.150 1.00 0.00 O ATOM 434 CB LYS A 27 164.780 6.685 -0.724 1.00 0.00 C ATOM 435 CG LYS A 27 165.040 8.168 -0.957 1.00 0.00 C ATOM 436 CD LYS A 27 165.121 8.935 0.354 1.00 0.00 C ATOM 437 CE LYS A 27 166.239 9.967 0.332 1.00 0.00 C ATOM 438 NZ LYS A 27 166.893 10.113 1.663 1.00 0.00 N ATOM 0 H LYS A 27 167.358 7.231 0.217 1.00 0.00 H new ATOM 0 HA LYS A 27 165.777 4.805 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 27 164.150 6.306 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 27 164.218 6.566 0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 27 165.971 8.292 -1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 27 164.244 8.585 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 27 164.170 9.432 0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 27 165.286 8.237 1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 27 166.985 9.677 -0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 27 165.837 10.930 0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 166.820 11.101 1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 166.421 9.493 2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 167.896 9.847 1.588 1.00 0.00 H new ATOM 452 N PRO A 28 166.241 5.083 -2.983 1.00 0.00 N ATOM 453 CA PRO A 28 166.832 4.986 -4.329 1.00 0.00 C ATOM 454 C PRO A 28 166.937 6.343 -5.029 1.00 0.00 C ATOM 455 O PRO A 28 166.594 7.381 -4.456 1.00 0.00 O ATOM 456 CB PRO A 28 165.862 4.068 -5.088 1.00 0.00 C ATOM 457 CG PRO A 28 165.125 3.324 -4.031 1.00 0.00 C ATOM 458 CD PRO A 28 165.020 4.264 -2.865 1.00 0.00 C ATOM 0 HA PRO A 28 167.854 4.610 -4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 28 165.180 4.645 -5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 28 166.399 3.387 -5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 28 164.137 3.024 -4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 28 165.655 2.413 -3.752 1.00 0.00 H new ATOM 0 HD2 PRO A 28 164.119 4.874 -2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 28 164.985 3.727 -1.917 1.00 0.00 H new ATOM 466 N VAL A 29 167.413 6.325 -6.272 1.00 0.00 N ATOM 467 CA VAL A 29 167.565 7.548 -7.051 1.00 0.00 C ATOM 468 C VAL A 29 166.747 7.488 -8.343 1.00 0.00 C ATOM 469 O VAL A 29 167.268 7.144 -9.408 1.00 0.00 O ATOM 470 CB VAL A 29 169.049 7.826 -7.384 1.00 0.00 C ATOM 471 CG1 VAL A 29 169.793 8.297 -6.143 1.00 0.00 C ATOM 472 CG2 VAL A 29 169.715 6.588 -7.973 1.00 0.00 C ATOM 0 H VAL A 29 167.700 5.476 -6.760 1.00 0.00 H new ATOM 0 HA VAL A 29 167.189 8.366 -6.436 1.00 0.00 H new ATOM 0 HB VAL A 29 169.088 8.618 -8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 29 170.836 8.488 -6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 29 169.336 9.214 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 29 169.741 7.527 -5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 29 170.758 6.809 -8.199 1.00 0.00 H new ATOM 0 HG22 VAL A 29 169.665 5.771 -7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 29 169.199 6.298 -8.888 1.00 0.00 H new ATOM 482 N ASP A 30 165.461 7.824 -8.236 1.00 0.00 N ATOM 483 CA ASP A 30 164.558 7.812 -9.386 1.00 0.00 C ATOM 484 C ASP A 30 165.004 8.823 -10.438 1.00 0.00 C ATOM 485 O ASP A 30 164.776 10.024 -10.293 1.00 0.00 O ATOM 486 CB ASP A 30 163.121 8.123 -8.947 1.00 0.00 C ATOM 487 CG ASP A 30 162.521 7.047 -8.055 1.00 0.00 C ATOM 488 OD1 ASP A 30 162.949 5.875 -8.149 1.00 0.00 O ATOM 489 OD2 ASP A 30 161.616 7.379 -7.262 1.00 0.00 O ATOM 0 H ASP A 30 165.021 8.109 -7.361 1.00 0.00 H new ATOM 0 HA ASP A 30 164.588 6.814 -9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 30 163.108 9.075 -8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 30 162.496 8.243 -9.832 1.00 0.00 H new ATOM 494 N VAL A 31 165.646 8.331 -11.496 1.00 0.00 N ATOM 495 CA VAL A 31 166.128 9.195 -12.572 1.00 0.00 C ATOM 496 C VAL A 31 164.977 9.931 -13.268 1.00 0.00 C ATOM 497 O VAL A 31 165.127 11.087 -13.659 1.00 0.00 O ATOM 498 CB VAL A 31 166.944 8.397 -13.616 1.00 0.00 C ATOM 499 CG1 VAL A 31 166.084 7.338 -14.297 1.00 0.00 C ATOM 500 CG2 VAL A 31 167.569 9.332 -14.643 1.00 0.00 C ATOM 0 H VAL A 31 165.844 7.340 -11.631 1.00 0.00 H new ATOM 0 HA VAL A 31 166.781 9.935 -12.108 1.00 0.00 H new ATOM 0 HB VAL A 31 167.748 7.883 -13.089 1.00 0.00 H new ATOM 0 HG11 VAL A 31 166.686 6.794 -15.025 1.00 0.00 H new ATOM 0 HG12 VAL A 31 165.703 6.643 -13.549 1.00 0.00 H new ATOM 0 HG13 VAL A 31 165.248 7.819 -14.804 1.00 0.00 H new ATOM 0 HG21 VAL A 31 168.138 8.749 -15.367 1.00 0.00 H new ATOM 0 HG22 VAL A 31 166.783 9.884 -15.159 1.00 0.00 H new ATOM 0 HG23 VAL A 31 168.234 10.034 -14.139 1.00 0.00 H new ATOM 510 N GLU A 32 163.832 9.259 -13.419 1.00 0.00 N ATOM 511 CA GLU A 32 162.665 9.862 -14.065 1.00 0.00 C ATOM 512 C GLU A 32 162.021 10.927 -13.173 1.00 0.00 C ATOM 513 O GLU A 32 161.712 12.027 -13.634 1.00 0.00 O ATOM 514 CB GLU A 32 161.630 8.788 -14.416 1.00 0.00 C ATOM 515 CG GLU A 32 160.737 9.163 -15.590 1.00 0.00 C ATOM 516 CD GLU A 32 159.625 8.158 -15.822 1.00 0.00 C ATOM 517 OE1 GLU A 32 158.687 8.108 -14.998 1.00 0.00 O ATOM 518 OE2 GLU A 32 159.691 7.422 -16.828 1.00 0.00 O ATOM 0 H GLU A 32 163.689 8.300 -13.103 1.00 0.00 H new ATOM 0 HA GLU A 32 163.009 10.343 -14.981 1.00 0.00 H new ATOM 0 HB2 GLU A 32 162.148 7.858 -14.647 1.00 0.00 H new ATOM 0 HB3 GLU A 32 161.007 8.597 -13.543 1.00 0.00 H new ATOM 0 HG2 GLU A 32 160.302 10.146 -15.411 1.00 0.00 H new ATOM 0 HG3 GLU A 32 161.344 9.243 -16.492 1.00 0.00 H new ATOM 525 N ALA A 33 161.808 10.588 -11.898 1.00 0.00 N ATOM 526 CA ALA A 33 161.184 11.509 -10.945 1.00 0.00 C ATOM 527 C ALA A 33 162.126 12.646 -10.547 1.00 0.00 C ATOM 528 O ALA A 33 161.727 13.811 -10.537 1.00 0.00 O ATOM 529 CB ALA A 33 160.716 10.758 -9.704 1.00 0.00 C ATOM 0 H ALA A 33 162.059 9.682 -11.502 1.00 0.00 H new ATOM 0 HA ALA A 33 160.322 11.953 -11.442 1.00 0.00 H new ATOM 0 HB1 ALA A 33 160.255 11.458 -9.007 1.00 0.00 H new ATOM 0 HB2 ALA A 33 159.988 9.999 -9.991 1.00 0.00 H new ATOM 0 HB3 ALA A 33 161.570 10.279 -9.225 1.00 0.00 H new ATOM 535 N LEU A 34 163.368 12.302 -10.209 1.00 0.00 N ATOM 536 CA LEU A 34 164.356 13.300 -9.797 1.00 0.00 C ATOM 537 C LEU A 34 164.995 14.003 -10.995 1.00 0.00 C ATOM 538 O LEU A 34 165.530 15.104 -10.855 1.00 0.00 O ATOM 539 CB LEU A 34 165.448 12.645 -8.947 1.00 0.00 C ATOM 540 CG LEU A 34 164.954 11.921 -7.692 1.00 0.00 C ATOM 541 CD1 LEU A 34 166.007 10.943 -7.191 1.00 0.00 C ATOM 542 CD2 LEU A 34 164.590 12.926 -6.607 1.00 0.00 C ATOM 0 H LEU A 34 163.714 11.343 -10.212 1.00 0.00 H new ATOM 0 HA LEU A 34 163.829 14.051 -9.208 1.00 0.00 H new ATOM 0 HB2 LEU A 34 165.990 11.932 -9.568 1.00 0.00 H new ATOM 0 HB3 LEU A 34 166.161 13.413 -8.647 1.00 0.00 H new ATOM 0 HG LEU A 34 164.058 11.355 -7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 34 165.639 10.437 -6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 34 166.216 10.205 -7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 34 166.921 11.485 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 34 164.241 12.395 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 34 165.468 13.519 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 34 163.801 13.584 -6.970 1.00 0.00 H new ATOM 554 N GLY A 35 164.941 13.368 -12.170 1.00 0.00 N ATOM 555 CA GLY A 35 165.523 13.958 -13.364 1.00 0.00 C ATOM 556 C GLY A 35 167.035 14.053 -13.286 1.00 0.00 C ATOM 557 O GLY A 35 167.596 15.143 -13.403 1.00 0.00 O ATOM 0 H GLY A 35 164.505 12.457 -12.312 1.00 0.00 H new ATOM 0 HA2 GLY A 35 165.244 13.362 -14.233 1.00 0.00 H new ATOM 0 HA3 GLY A 35 165.107 14.954 -13.513 1.00 0.00 H new ATOM 561 N LEU A 36 167.695 12.909 -13.087 1.00 0.00 N ATOM 562 CA LEU A 36 169.155 12.874 -12.991 1.00 0.00 C ATOM 563 C LEU A 36 169.753 11.873 -13.981 1.00 0.00 C ATOM 564 O LEU A 36 170.209 10.794 -13.597 1.00 0.00 O ATOM 565 CB LEU A 36 169.603 12.541 -11.557 1.00 0.00 C ATOM 566 CG LEU A 36 168.702 11.572 -10.779 1.00 0.00 C ATOM 567 CD1 LEU A 36 169.071 10.127 -11.084 1.00 0.00 C ATOM 568 CD2 LEU A 36 168.798 11.841 -9.283 1.00 0.00 C ATOM 0 H LEU A 36 167.244 12.000 -12.990 1.00 0.00 H new ATOM 0 HA LEU A 36 169.525 13.867 -13.248 1.00 0.00 H new ATOM 0 HB2 LEU A 36 170.607 12.118 -11.600 1.00 0.00 H new ATOM 0 HB3 LEU A 36 169.674 13.472 -10.994 1.00 0.00 H new ATOM 0 HG LEU A 36 167.672 11.735 -11.096 1.00 0.00 H new ATOM 0 HD11 LEU A 36 168.419 9.459 -10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 36 168.951 9.938 -12.151 1.00 0.00 H new ATOM 0 HD13 LEU A 36 170.108 9.948 -10.798 1.00 0.00 H new ATOM 0 HD21 LEU A 36 168.153 11.145 -8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 36 169.829 11.707 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 36 168.481 12.863 -9.076 1.00 0.00 H new ATOM 580 N HIS A 37 169.763 12.243 -15.263 1.00 0.00 N ATOM 581 CA HIS A 37 170.320 11.376 -16.304 1.00 0.00 C ATOM 582 C HIS A 37 171.855 11.365 -16.275 1.00 0.00 C ATOM 583 O HIS A 37 172.484 10.626 -17.035 1.00 0.00 O ATOM 584 CB HIS A 37 169.830 11.811 -17.689 1.00 0.00 C ATOM 585 CG HIS A 37 169.479 10.663 -18.584 1.00 0.00 C ATOM 586 ND1 HIS A 37 170.110 10.426 -19.789 1.00 0.00 N ATOM 587 CD2 HIS A 37 168.557 9.681 -18.446 1.00 0.00 C ATOM 588 CE1 HIS A 37 169.589 9.351 -20.353 1.00 0.00 C ATOM 589 NE2 HIS A 37 168.646 8.880 -19.558 1.00 0.00 N ATOM 0 H HIS A 37 169.395 13.131 -15.604 1.00 0.00 H new ATOM 0 HA HIS A 37 169.971 10.364 -16.101 1.00 0.00 H new ATOM 0 HB2 HIS A 37 168.956 12.451 -17.572 1.00 0.00 H new ATOM 0 HB3 HIS A 37 170.603 12.412 -18.168 1.00 0.00 H new ATOM 0 HD2 HIS A 37 167.878 9.552 -17.616 1.00 0.00 H new ATOM 0 HE1 HIS A 37 169.884 8.929 -21.302 1.00 0.00 H new ATOM 0 HE2 HIS A 37 168.076 8.054 -19.740 1.00 0.00 H new ATOM 598 N ASP A 38 172.457 12.178 -15.394 1.00 0.00 N ATOM 599 CA ASP A 38 173.914 12.243 -15.280 1.00 0.00 C ATOM 600 C ASP A 38 174.468 11.028 -14.532 1.00 0.00 C ATOM 601 O ASP A 38 175.649 10.705 -14.658 1.00 0.00 O ATOM 602 CB ASP A 38 174.344 13.531 -14.563 1.00 0.00 C ATOM 603 CG ASP A 38 173.764 14.787 -15.194 1.00 0.00 C ATOM 604 OD1 ASP A 38 173.684 14.852 -16.441 1.00 0.00 O ATOM 605 OD2 ASP A 38 173.390 15.708 -14.438 1.00 0.00 O ATOM 0 H ASP A 38 171.956 12.795 -14.755 1.00 0.00 H new ATOM 0 HA ASP A 38 174.322 12.242 -16.291 1.00 0.00 H new ATOM 0 HB2 ASP A 38 174.034 13.480 -13.519 1.00 0.00 H new ATOM 0 HB3 ASP A 38 175.432 13.597 -14.569 1.00 0.00 H new ATOM 610 N TYR A 39 173.606 10.351 -13.764 1.00 0.00 N ATOM 611 CA TYR A 39 174.013 9.167 -13.011 1.00 0.00 C ATOM 612 C TYR A 39 174.591 8.100 -13.940 1.00 0.00 C ATOM 613 O TYR A 39 175.507 7.373 -13.559 1.00 0.00 O ATOM 614 CB TYR A 39 172.826 8.590 -12.240 1.00 0.00 C ATOM 615 CG TYR A 39 173.214 7.897 -10.954 1.00 0.00 C ATOM 616 CD1 TYR A 39 173.553 6.549 -10.941 1.00 0.00 C ATOM 617 CD2 TYR A 39 173.236 8.590 -9.752 1.00 0.00 C ATOM 618 CE1 TYR A 39 173.902 5.914 -9.765 1.00 0.00 C ATOM 619 CE2 TYR A 39 173.583 7.962 -8.572 1.00 0.00 C ATOM 620 CZ TYR A 39 173.916 6.624 -8.584 1.00 0.00 C ATOM 621 OH TYR A 39 174.259 5.994 -7.408 1.00 0.00 O ATOM 0 H TYR A 39 172.625 10.605 -13.650 1.00 0.00 H new ATOM 0 HA TYR A 39 174.786 9.470 -12.304 1.00 0.00 H new ATOM 0 HB2 TYR A 39 172.127 9.395 -12.012 1.00 0.00 H new ATOM 0 HB3 TYR A 39 172.299 7.882 -12.879 1.00 0.00 H new ATOM 0 HD1 TYR A 39 173.543 5.989 -11.865 1.00 0.00 H new ATOM 0 HD2 TYR A 39 172.977 9.638 -9.739 1.00 0.00 H new ATOM 0 HE1 TYR A 39 174.163 4.866 -9.771 1.00 0.00 H new ATOM 0 HE2 TYR A 39 173.593 8.516 -7.645 1.00 0.00 H new ATOM 0 HH TYR A 39 174.220 6.637 -6.669 1.00 0.00 H new ATOM 631 N CYS A 40 174.052 8.017 -15.163 1.00 0.00 N ATOM 632 CA CYS A 40 174.523 7.043 -16.150 1.00 0.00 C ATOM 633 C CYS A 40 175.984 7.301 -16.510 1.00 0.00 C ATOM 634 O CYS A 40 176.771 6.364 -16.652 1.00 0.00 O ATOM 635 CB CYS A 40 173.665 7.100 -17.416 1.00 0.00 C ATOM 636 SG CYS A 40 173.512 5.516 -18.273 1.00 0.00 S ATOM 0 H CYS A 40 173.291 8.612 -15.490 1.00 0.00 H new ATOM 0 HA CYS A 40 174.438 6.051 -15.707 1.00 0.00 H new ATOM 0 HB2 CYS A 40 172.669 7.456 -17.152 1.00 0.00 H new ATOM 0 HB3 CYS A 40 174.094 7.832 -18.101 1.00 0.00 H new ATOM 0 HG CYS A 40 172.767 5.664 -19.328 1.00 0.00 H new ATOM 642 N ASP A 41 176.341 8.580 -16.648 1.00 0.00 N ATOM 643 CA ASP A 41 177.711 8.965 -16.981 1.00 0.00 C ATOM 644 C ASP A 41 178.644 8.689 -15.805 1.00 0.00 C ATOM 645 O ASP A 41 179.766 8.216 -15.989 1.00 0.00 O ATOM 646 CB ASP A 41 177.777 10.449 -17.359 1.00 0.00 C ATOM 647 CG ASP A 41 179.120 10.838 -17.952 1.00 0.00 C ATOM 648 OD1 ASP A 41 180.077 11.043 -17.175 1.00 0.00 O ATOM 649 OD2 ASP A 41 179.213 10.936 -19.193 1.00 0.00 O ATOM 0 H ASP A 41 175.700 9.365 -16.534 1.00 0.00 H new ATOM 0 HA ASP A 41 178.033 8.370 -17.835 1.00 0.00 H new ATOM 0 HB2 ASP A 41 176.988 10.673 -18.076 1.00 0.00 H new ATOM 0 HB3 ASP A 41 177.585 11.055 -16.474 1.00 0.00 H new ATOM 654 N ILE A 42 178.168 8.991 -14.597 1.00 0.00 N ATOM 655 CA ILE A 42 178.952 8.781 -13.383 1.00 0.00 C ATOM 656 C ILE A 42 179.142 7.291 -13.095 1.00 0.00 C ATOM 657 O ILE A 42 180.266 6.837 -12.875 1.00 0.00 O ATOM 658 CB ILE A 42 178.293 9.452 -12.154 1.00 0.00 C ATOM 659 CG1 ILE A 42 177.948 10.913 -12.455 1.00 0.00 C ATOM 660 CG2 ILE A 42 179.211 9.368 -10.941 1.00 0.00 C ATOM 661 CD1 ILE A 42 176.794 11.439 -11.631 1.00 0.00 C ATOM 0 H ILE A 42 177.240 9.383 -14.434 1.00 0.00 H new ATOM 0 HA ILE A 42 179.924 9.241 -13.558 1.00 0.00 H new ATOM 0 HB ILE A 42 177.370 8.917 -11.930 1.00 0.00 H new ATOM 0 HG12 ILE A 42 178.827 11.531 -12.272 1.00 0.00 H new ATOM 0 HG13 ILE A 42 177.704 11.011 -13.513 1.00 0.00 H new ATOM 0 HG21 ILE A 42 178.730 9.845 -10.087 1.00 0.00 H new ATOM 0 HG22 ILE A 42 179.411 8.322 -10.707 1.00 0.00 H new ATOM 0 HG23 ILE A 42 180.150 9.876 -11.159 1.00 0.00 H new ATOM 0 HD11 ILE A 42 176.603 12.479 -11.895 1.00 0.00 H new ATOM 0 HD12 ILE A 42 175.903 10.844 -11.832 1.00 0.00 H new ATOM 0 HD13 ILE A 42 177.043 11.373 -10.572 1.00 0.00 H new ATOM 673 N ILE A 43 178.037 6.539 -13.086 1.00 0.00 N ATOM 674 CA ILE A 43 178.085 5.103 -12.811 1.00 0.00 C ATOM 675 C ILE A 43 177.203 4.312 -13.782 1.00 0.00 C ATOM 676 O ILE A 43 176.188 4.813 -14.267 1.00 0.00 O ATOM 677 CB ILE A 43 177.633 4.796 -11.364 1.00 0.00 C ATOM 678 CG1 ILE A 43 178.372 5.690 -10.362 1.00 0.00 C ATOM 679 CG2 ILE A 43 177.860 3.329 -11.036 1.00 0.00 C ATOM 680 CD1 ILE A 43 177.499 6.763 -9.747 1.00 0.00 C ATOM 0 H ILE A 43 177.101 6.902 -13.266 1.00 0.00 H new ATOM 0 HA ILE A 43 179.123 4.796 -12.942 1.00 0.00 H new ATOM 0 HB ILE A 43 176.566 5.008 -11.288 1.00 0.00 H new ATOM 0 HG12 ILE A 43 178.783 5.068 -9.567 1.00 0.00 H new ATOM 0 HG13 ILE A 43 179.216 6.164 -10.864 1.00 0.00 H new ATOM 0 HG21 ILE A 43 177.537 3.130 -10.014 1.00 0.00 H new ATOM 0 HG22 ILE A 43 177.286 2.709 -11.725 1.00 0.00 H new ATOM 0 HG23 ILE A 43 178.920 3.094 -11.133 1.00 0.00 H new ATOM 0 HD11 ILE A 43 178.089 7.356 -9.049 1.00 0.00 H new ATOM 0 HD12 ILE A 43 177.109 7.410 -10.533 1.00 0.00 H new ATOM 0 HD13 ILE A 43 176.669 6.297 -9.216 1.00 0.00 H new ATOM 692 N LYS A 44 177.597 3.064 -14.051 1.00 0.00 N ATOM 693 CA LYS A 44 176.841 2.192 -14.955 1.00 0.00 C ATOM 694 C LYS A 44 175.889 1.270 -14.187 1.00 0.00 C ATOM 695 O LYS A 44 174.815 0.931 -14.686 1.00 0.00 O ATOM 696 CB LYS A 44 177.791 1.354 -15.819 1.00 0.00 C ATOM 697 CG LYS A 44 178.809 0.548 -15.022 1.00 0.00 C ATOM 698 CD LYS A 44 179.204 -0.726 -15.749 1.00 0.00 C ATOM 699 CE LYS A 44 180.432 -1.369 -15.123 1.00 0.00 C ATOM 700 NZ LYS A 44 181.698 -0.841 -15.706 1.00 0.00 N ATOM 0 H LYS A 44 178.434 2.635 -13.656 1.00 0.00 H new ATOM 0 HA LYS A 44 176.243 2.836 -15.600 1.00 0.00 H new ATOM 0 HB2 LYS A 44 177.201 0.671 -16.431 1.00 0.00 H new ATOM 0 HB3 LYS A 44 178.323 2.016 -16.503 1.00 0.00 H new ATOM 0 HG2 LYS A 44 179.696 1.156 -14.843 1.00 0.00 H new ATOM 0 HG3 LYS A 44 178.392 0.297 -14.046 1.00 0.00 H new ATOM 0 HD2 LYS A 44 178.373 -1.431 -15.728 1.00 0.00 H new ATOM 0 HD3 LYS A 44 179.404 -0.501 -16.797 1.00 0.00 H new ATOM 0 HE2 LYS A 44 180.426 -1.191 -14.048 1.00 0.00 H new ATOM 0 HE3 LYS A 44 180.389 -2.449 -15.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 182.510 -1.306 -15.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 181.716 -1.034 -16.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 181.752 0.185 -15.546 1.00 0.00 H new ATOM 714 N HIS A 45 176.288 0.863 -12.978 1.00 0.00 N ATOM 715 CA HIS A 45 175.466 -0.022 -12.152 1.00 0.00 C ATOM 716 C HIS A 45 174.925 0.717 -10.923 1.00 0.00 C ATOM 717 O HIS A 45 175.502 0.637 -9.835 1.00 0.00 O ATOM 718 CB HIS A 45 176.280 -1.245 -11.716 1.00 0.00 C ATOM 719 CG HIS A 45 176.118 -2.432 -12.617 1.00 0.00 C ATOM 720 ND1 HIS A 45 174.986 -3.221 -12.627 1.00 0.00 N ATOM 721 CD2 HIS A 45 176.955 -2.967 -13.538 1.00 0.00 C ATOM 722 CE1 HIS A 45 175.135 -4.190 -13.512 1.00 0.00 C ATOM 723 NE2 HIS A 45 176.320 -4.058 -14.079 1.00 0.00 N ATOM 0 H HIS A 45 177.174 1.133 -12.551 1.00 0.00 H new ATOM 0 HA HIS A 45 174.617 -0.353 -12.750 1.00 0.00 H new ATOM 0 HB2 HIS A 45 177.335 -0.972 -11.676 1.00 0.00 H new ATOM 0 HB3 HIS A 45 175.984 -1.525 -10.705 1.00 0.00 H new ATOM 0 HD2 HIS A 45 177.938 -2.603 -13.798 1.00 0.00 H new ATOM 0 HE1 HIS A 45 174.411 -4.960 -13.734 1.00 0.00 H new ATOM 0 HE2 HIS A 45 176.702 -4.668 -14.802 1.00 0.00 H new ATOM 732 N PRO A 46 173.807 1.450 -11.084 1.00 0.00 N ATOM 733 CA PRO A 46 173.187 2.208 -9.989 1.00 0.00 C ATOM 734 C PRO A 46 172.482 1.306 -8.973 1.00 0.00 C ATOM 735 O PRO A 46 171.628 0.496 -9.340 1.00 0.00 O ATOM 736 CB PRO A 46 172.174 3.098 -10.712 1.00 0.00 C ATOM 737 CG PRO A 46 171.814 2.335 -11.939 1.00 0.00 C ATOM 738 CD PRO A 46 173.060 1.602 -12.350 1.00 0.00 C ATOM 0 HA PRO A 46 173.925 2.759 -9.406 1.00 0.00 H new ATOM 0 HB2 PRO A 46 171.298 3.287 -10.091 1.00 0.00 H new ATOM 0 HB3 PRO A 46 172.604 4.068 -10.960 1.00 0.00 H new ATOM 0 HG2 PRO A 46 170.999 1.639 -11.741 1.00 0.00 H new ATOM 0 HG3 PRO A 46 171.476 3.005 -12.730 1.00 0.00 H new ATOM 0 HD2 PRO A 46 172.828 0.635 -12.797 1.00 0.00 H new ATOM 0 HD3 PRO A 46 173.632 2.165 -13.088 1.00 0.00 H new ATOM 746 N MET A 47 172.847 1.454 -7.697 1.00 0.00 N ATOM 747 CA MET A 47 172.252 0.653 -6.626 1.00 0.00 C ATOM 748 C MET A 47 172.199 1.438 -5.314 1.00 0.00 C ATOM 749 O MET A 47 173.128 2.177 -4.985 1.00 0.00 O ATOM 750 CB MET A 47 173.043 -0.644 -6.424 1.00 0.00 C ATOM 751 CG MET A 47 173.171 -1.480 -7.687 1.00 0.00 C ATOM 752 SD MET A 47 173.779 -3.146 -7.366 1.00 0.00 S ATOM 753 CE MET A 47 172.392 -3.857 -6.482 1.00 0.00 C ATOM 0 H MET A 47 173.551 2.121 -7.381 1.00 0.00 H new ATOM 0 HA MET A 47 171.232 0.407 -6.922 1.00 0.00 H new ATOM 0 HB2 MET A 47 174.040 -0.399 -6.058 1.00 0.00 H new ATOM 0 HB3 MET A 47 172.557 -1.240 -5.651 1.00 0.00 H new ATOM 0 HG2 MET A 47 172.199 -1.541 -8.176 1.00 0.00 H new ATOM 0 HG3 MET A 47 173.846 -0.980 -8.381 1.00 0.00 H new ATOM 0 HE1 MET A 47 172.084 -4.781 -6.971 1.00 0.00 H new ATOM 0 HE2 MET A 47 172.687 -4.071 -5.455 1.00 0.00 H new ATOM 0 HE3 MET A 47 171.561 -3.152 -6.482 1.00 0.00 H new ATOM 763 N ASP A 48 171.106 1.264 -4.569 1.00 0.00 N ATOM 764 CA ASP A 48 170.928 1.947 -3.289 1.00 0.00 C ATOM 765 C ASP A 48 170.610 0.948 -2.179 1.00 0.00 C ATOM 766 O ASP A 48 170.328 -0.222 -2.446 1.00 0.00 O ATOM 767 CB ASP A 48 169.807 2.989 -3.386 1.00 0.00 C ATOM 768 CG ASP A 48 170.260 4.372 -2.953 1.00 0.00 C ATOM 769 OD1 ASP A 48 170.660 4.526 -1.779 1.00 0.00 O ATOM 770 OD2 ASP A 48 170.213 5.300 -3.788 1.00 0.00 O ATOM 0 H ASP A 48 170.331 0.655 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 48 171.863 2.453 -3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 48 169.445 3.034 -4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 48 168.968 2.674 -2.766 1.00 0.00 H new ATOM 775 N MET A 49 170.651 1.421 -0.932 1.00 0.00 N ATOM 776 CA MET A 49 170.361 0.574 0.229 1.00 0.00 C ATOM 777 C MET A 49 168.978 -0.067 0.111 1.00 0.00 C ATOM 778 O MET A 49 168.794 -1.232 0.468 1.00 0.00 O ATOM 779 CB MET A 49 170.448 1.391 1.521 1.00 0.00 C ATOM 780 CG MET A 49 171.752 2.158 1.670 1.00 0.00 C ATOM 781 SD MET A 49 172.064 2.685 3.363 1.00 0.00 S ATOM 782 CE MET A 49 173.768 3.217 3.227 1.00 0.00 C ATOM 0 H MET A 49 170.882 2.387 -0.699 1.00 0.00 H new ATOM 0 HA MET A 49 171.107 -0.220 0.258 1.00 0.00 H new ATOM 0 HB2 MET A 49 169.617 2.095 1.552 1.00 0.00 H new ATOM 0 HB3 MET A 49 170.331 0.721 2.373 1.00 0.00 H new ATOM 0 HG2 MET A 49 172.577 1.531 1.332 1.00 0.00 H new ATOM 0 HG3 MET A 49 171.729 3.033 1.021 1.00 0.00 H new ATOM 0 HE1 MET A 49 174.127 3.542 4.204 1.00 0.00 H new ATOM 0 HE2 MET A 49 174.381 2.388 2.872 1.00 0.00 H new ATOM 0 HE3 MET A 49 173.835 4.046 2.522 1.00 0.00 H new ATOM 792 N SER A 50 168.012 0.699 -0.402 1.00 0.00 N ATOM 793 CA SER A 50 166.646 0.207 -0.582 1.00 0.00 C ATOM 794 C SER A 50 166.615 -0.965 -1.564 1.00 0.00 C ATOM 795 O SER A 50 165.832 -1.902 -1.400 1.00 0.00 O ATOM 796 CB SER A 50 165.738 1.338 -1.083 1.00 0.00 C ATOM 797 OG SER A 50 164.501 0.839 -1.565 1.00 0.00 O ATOM 0 H SER A 50 168.152 1.664 -0.700 1.00 0.00 H new ATOM 0 HA SER A 50 166.279 -0.143 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 50 165.555 2.045 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 50 166.244 1.887 -1.877 1.00 0.00 H new ATOM 0 HG SER A 50 163.946 1.585 -1.875 1.00 0.00 H new ATOM 803 N THR A 51 167.475 -0.906 -2.583 1.00 0.00 N ATOM 804 CA THR A 51 167.549 -1.961 -3.589 1.00 0.00 C ATOM 805 C THR A 51 168.213 -3.216 -3.020 1.00 0.00 C ATOM 806 O THR A 51 167.794 -4.336 -3.320 1.00 0.00 O ATOM 807 CB THR A 51 168.312 -1.469 -4.826 1.00 0.00 C ATOM 808 OG1 THR A 51 167.720 -0.288 -5.346 1.00 0.00 O ATOM 809 CG2 THR A 51 168.356 -2.488 -5.945 1.00 0.00 C ATOM 0 H THR A 51 168.129 -0.137 -2.731 1.00 0.00 H new ATOM 0 HA THR A 51 166.532 -2.219 -3.884 1.00 0.00 H new ATOM 0 HB THR A 51 169.329 -1.283 -4.482 1.00 0.00 H new ATOM 0 HG1 THR A 51 168.222 0.010 -6.133 1.00 0.00 H new ATOM 0 HG21 THR A 51 168.910 -2.077 -6.789 1.00 0.00 H new ATOM 0 HG22 THR A 51 168.850 -3.394 -5.593 1.00 0.00 H new ATOM 0 HG23 THR A 51 167.340 -2.727 -6.259 1.00 0.00 H new ATOM 817 N ILE A 52 169.245 -3.023 -2.196 1.00 0.00 N ATOM 818 CA ILE A 52 169.957 -4.144 -1.587 1.00 0.00 C ATOM 819 C ILE A 52 169.059 -4.889 -0.599 1.00 0.00 C ATOM 820 O ILE A 52 169.007 -6.120 -0.604 1.00 0.00 O ATOM 821 CB ILE A 52 171.238 -3.684 -0.854 1.00 0.00 C ATOM 822 CG1 ILE A 52 172.110 -2.819 -1.770 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.026 -4.888 -0.358 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.058 -1.906 -1.021 1.00 0.00 C ATOM 0 H ILE A 52 169.604 -2.104 -1.937 1.00 0.00 H new ATOM 0 HA ILE A 52 170.241 -4.812 -2.400 1.00 0.00 H new ATOM 0 HB ILE A 52 170.941 -3.081 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 52 172.688 -3.469 -2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 52 171.464 -2.215 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 52 172.925 -4.548 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.411 -5.467 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.307 -5.513 -1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 52 173.643 -1.325 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 52 172.486 -1.231 -0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 52 173.729 -2.505 -0.405 1.00 0.00 H new ATOM 836 N LYS A 53 168.345 -4.141 0.242 1.00 0.00 N ATOM 837 CA LYS A 53 167.449 -4.748 1.223 1.00 0.00 C ATOM 838 C LYS A 53 166.245 -5.390 0.539 1.00 0.00 C ATOM 839 O LYS A 53 165.748 -6.416 0.996 1.00 0.00 O ATOM 840 CB LYS A 53 166.978 -3.712 2.247 1.00 0.00 C ATOM 841 CG LYS A 53 167.376 -4.047 3.676 1.00 0.00 C ATOM 842 CD LYS A 53 166.447 -3.390 4.684 1.00 0.00 C ATOM 843 CE LYS A 53 166.578 -4.026 6.060 1.00 0.00 C ATOM 844 NZ LYS A 53 165.262 -4.142 6.751 1.00 0.00 N ATOM 0 H LYS A 53 168.370 -3.122 0.263 1.00 0.00 H new ATOM 0 HA LYS A 53 168.008 -5.525 1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.390 -2.738 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 53 165.893 -3.625 2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 53 167.359 -5.128 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 53 168.400 -3.719 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 53 166.675 -2.326 4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 53 165.416 -3.475 4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 53 167.023 -5.016 5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 53 167.257 -3.431 6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 165.397 -4.580 7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 164.848 -3.196 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 164.622 -4.731 6.182 1.00 0.00 H new ATOM 858 N SER A 54 165.783 -4.783 -0.561 1.00 0.00 N ATOM 859 CA SER A 54 164.635 -5.306 -1.305 1.00 0.00 C ATOM 860 C SER A 54 164.887 -6.745 -1.756 1.00 0.00 C ATOM 861 O SER A 54 164.005 -7.598 -1.646 1.00 0.00 O ATOM 862 CB SER A 54 164.334 -4.419 -2.518 1.00 0.00 C ATOM 863 OG SER A 54 163.132 -4.815 -3.159 1.00 0.00 O ATOM 0 H SER A 54 166.186 -3.932 -0.953 1.00 0.00 H new ATOM 0 HA SER A 54 163.771 -5.300 -0.641 1.00 0.00 H new ATOM 0 HB2 SER A 54 164.254 -3.379 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 54 165.161 -4.473 -3.226 1.00 0.00 H new ATOM 0 HG SER A 54 162.964 -4.231 -3.928 1.00 0.00 H new ATOM 869 N LYS A 55 166.100 -7.014 -2.249 1.00 0.00 N ATOM 870 CA LYS A 55 166.463 -8.358 -2.696 1.00 0.00 C ATOM 871 C LYS A 55 166.392 -9.337 -1.527 1.00 0.00 C ATOM 872 O LYS A 55 165.776 -10.398 -1.628 1.00 0.00 O ATOM 873 CB LYS A 55 167.870 -8.365 -3.305 1.00 0.00 C ATOM 874 CG LYS A 55 167.879 -8.272 -4.823 1.00 0.00 C ATOM 875 CD LYS A 55 169.275 -8.477 -5.390 1.00 0.00 C ATOM 876 CE LYS A 55 169.227 -8.942 -6.839 1.00 0.00 C ATOM 877 NZ LYS A 55 170.357 -8.394 -7.644 1.00 0.00 N ATOM 0 H LYS A 55 166.842 -6.321 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 55 165.754 -8.669 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 55 168.438 -7.530 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 55 168.383 -9.278 -3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 55 167.204 -9.021 -5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 55 167.501 -7.297 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 55 169.836 -7.545 -5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 55 169.809 -9.213 -4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 55 169.255 -10.031 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 55 168.282 -8.635 -7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 170.284 -8.737 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 170.316 -7.355 -7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 171.260 -8.708 -7.234 1.00 0.00 H new ATOM 891 N LEU A 56 167.017 -8.962 -0.410 1.00 0.00 N ATOM 892 CA LEU A 56 167.018 -9.793 0.793 1.00 0.00 C ATOM 893 C LEU A 56 165.598 -9.957 1.349 1.00 0.00 C ATOM 894 O LEU A 56 165.264 -11.001 1.911 1.00 0.00 O ATOM 895 CB LEU A 56 167.946 -9.177 1.849 1.00 0.00 C ATOM 896 CG LEU A 56 167.706 -9.623 3.298 1.00 0.00 C ATOM 897 CD1 LEU A 56 167.840 -11.135 3.431 1.00 0.00 C ATOM 898 CD2 LEU A 56 168.674 -8.917 4.236 1.00 0.00 C ATOM 0 H LEU A 56 167.530 -8.086 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 56 167.388 -10.784 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 56 168.976 -9.415 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 56 167.847 -8.092 1.802 1.00 0.00 H new ATOM 0 HG LEU A 56 166.688 -9.348 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 56 167.666 -11.426 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 56 167.107 -11.623 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 56 168.843 -11.439 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 56 168.492 -9.243 5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 56 169.698 -9.162 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 56 168.527 -7.839 4.167 1.00 0.00 H new ATOM 910 N GLU A 57 164.765 -8.922 1.183 1.00 0.00 N ATOM 911 CA GLU A 57 163.382 -8.957 1.664 1.00 0.00 C ATOM 912 C GLU A 57 162.605 -10.099 1.016 1.00 0.00 C ATOM 913 O GLU A 57 161.821 -10.780 1.678 1.00 0.00 O ATOM 914 CB GLU A 57 162.680 -7.626 1.383 1.00 0.00 C ATOM 915 CG GLU A 57 163.137 -6.496 2.292 1.00 0.00 C ATOM 916 CD GLU A 57 161.985 -5.800 2.994 1.00 0.00 C ATOM 917 OE1 GLU A 57 161.014 -5.414 2.309 1.00 0.00 O ATOM 918 OE2 GLU A 57 162.058 -5.636 4.231 1.00 0.00 O ATOM 0 H GLU A 57 165.026 -8.052 0.719 1.00 0.00 H new ATOM 0 HA GLU A 57 163.409 -9.124 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 57 162.858 -7.342 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 57 161.604 -7.761 1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 57 163.825 -6.893 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 57 163.692 -5.765 1.704 1.00 0.00 H new ATOM 925 N ALA A 58 162.831 -10.306 -0.282 1.00 0.00 N ATOM 926 CA ALA A 58 162.157 -11.371 -1.022 1.00 0.00 C ATOM 927 C ALA A 58 162.967 -12.675 -1.012 1.00 0.00 C ATOM 928 O ALA A 58 162.703 -13.579 -1.807 1.00 0.00 O ATOM 929 CB ALA A 58 161.885 -10.922 -2.451 1.00 0.00 C ATOM 0 H ALA A 58 163.476 -9.749 -0.842 1.00 0.00 H new ATOM 0 HA ALA A 58 161.209 -11.575 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 58 161.383 -11.722 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.249 -10.037 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 58 162.828 -10.685 -2.944 1.00 0.00 H new ATOM 935 N ARG A 59 163.958 -12.766 -0.113 1.00 0.00 N ATOM 936 CA ARG A 59 164.809 -13.953 -0.003 1.00 0.00 C ATOM 937 C ARG A 59 165.571 -14.223 -1.304 1.00 0.00 C ATOM 938 O ARG A 59 165.923 -15.367 -1.600 1.00 0.00 O ATOM 939 CB ARG A 59 163.978 -15.183 0.388 1.00 0.00 C ATOM 940 CG ARG A 59 164.432 -15.846 1.682 1.00 0.00 C ATOM 941 CD ARG A 59 165.884 -16.300 1.604 1.00 0.00 C ATOM 942 NE ARG A 59 166.417 -16.664 2.918 1.00 0.00 N ATOM 943 CZ ARG A 59 166.229 -17.853 3.503 1.00 0.00 C ATOM 944 NH1 ARG A 59 165.503 -18.796 2.903 1.00 0.00 N ATOM 945 NH2 ARG A 59 166.764 -18.096 4.695 1.00 0.00 N ATOM 0 H ARG A 59 164.188 -12.026 0.550 1.00 0.00 H new ATOM 0 HA ARG A 59 165.541 -13.757 0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 59 162.934 -14.887 0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 59 164.025 -15.914 -0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 59 164.313 -15.147 2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 59 163.794 -16.704 1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 59 165.961 -17.155 0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 59 166.491 -15.502 1.175 1.00 0.00 H new ATOM 0 HE ARG A 59 166.967 -15.967 3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 59 165.085 -18.615 1.990 1.00 0.00 H new ATOM 0 HH12 ARG A 59 165.365 -19.699 3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 59 167.317 -17.377 5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 59 166.622 -19.001 5.143 1.00 0.00 H new ATOM 959 N GLU A 60 165.836 -13.164 -2.073 1.00 0.00 N ATOM 960 CA GLU A 60 166.567 -13.294 -3.331 1.00 0.00 C ATOM 961 C GLU A 60 168.037 -13.623 -3.070 1.00 0.00 C ATOM 962 O GLU A 60 168.662 -14.361 -3.835 1.00 0.00 O ATOM 963 CB GLU A 60 166.458 -12.009 -4.155 1.00 0.00 C ATOM 964 CG GLU A 60 165.040 -11.682 -4.602 1.00 0.00 C ATOM 965 CD GLU A 60 164.985 -11.169 -6.027 1.00 0.00 C ATOM 966 OE1 GLU A 60 165.302 -9.980 -6.244 1.00 0.00 O ATOM 967 OE2 GLU A 60 164.629 -11.957 -6.928 1.00 0.00 O ATOM 0 H GLU A 60 165.555 -12.210 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 60 166.120 -14.112 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 60 166.844 -11.177 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 60 167.095 -12.098 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 60 164.420 -12.575 -4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 60 164.615 -10.934 -3.933 1.00 0.00 H new ATOM 974 N TYR A 61 168.580 -13.078 -1.979 1.00 0.00 N ATOM 975 CA TYR A 61 169.970 -13.319 -1.608 1.00 0.00 C ATOM 976 C TYR A 61 170.142 -14.732 -1.059 1.00 0.00 C ATOM 977 O TYR A 61 169.726 -15.029 0.062 1.00 0.00 O ATOM 978 CB TYR A 61 170.430 -12.292 -0.569 1.00 0.00 C ATOM 979 CG TYR A 61 170.908 -10.988 -1.170 1.00 0.00 C ATOM 980 CD1 TYR A 61 171.963 -10.962 -2.076 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.308 -9.783 -0.827 1.00 0.00 C ATOM 982 CE1 TYR A 61 172.404 -9.771 -2.621 1.00 0.00 C ATOM 983 CE2 TYR A 61 170.746 -8.592 -1.367 1.00 0.00 C ATOM 984 CZ TYR A 61 171.790 -8.588 -2.260 1.00 0.00 C ATOM 985 OH TYR A 61 172.221 -7.394 -2.790 1.00 0.00 O ATOM 0 H TYR A 61 168.075 -12.466 -1.338 1.00 0.00 H new ATOM 0 HA TYR A 61 170.585 -13.216 -2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 61 169.606 -12.086 0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.235 -12.725 0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 61 172.445 -11.887 -2.358 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.486 -9.779 -0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.223 -9.766 -3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.269 -7.664 -1.088 1.00 0.00 H new ATOM 0 HH TYR A 61 172.851 -7.569 -3.520 1.00 0.00 H new ATOM 995 N ARG A 62 170.756 -15.600 -1.860 1.00 0.00 N ATOM 996 CA ARG A 62 170.988 -16.984 -1.459 1.00 0.00 C ATOM 997 C ARG A 62 172.212 -17.095 -0.551 1.00 0.00 C ATOM 998 O ARG A 62 172.287 -17.994 0.289 1.00 0.00 O ATOM 999 CB ARG A 62 171.172 -17.871 -2.692 1.00 0.00 C ATOM 1000 CG ARG A 62 170.656 -19.290 -2.504 1.00 0.00 C ATOM 1001 CD ARG A 62 170.913 -20.148 -3.733 1.00 0.00 C ATOM 1002 NE ARG A 62 170.132 -19.707 -4.890 1.00 0.00 N ATOM 1003 CZ ARG A 62 169.987 -20.421 -6.009 1.00 0.00 C ATOM 1004 NH1 ARG A 62 170.565 -21.616 -6.129 1.00 0.00 N ATOM 1005 NH2 ARG A 62 169.263 -19.940 -7.014 1.00 0.00 N ATOM 0 H ARG A 62 171.102 -15.368 -2.791 1.00 0.00 H new ATOM 0 HA ARG A 62 170.115 -17.323 -0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 62 170.657 -17.415 -3.537 1.00 0.00 H new ATOM 0 HB3 ARG A 62 172.231 -17.909 -2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 62 171.139 -19.741 -1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 62 169.586 -19.264 -2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 62 171.974 -20.117 -3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 62 170.669 -21.186 -3.507 1.00 0.00 H new ATOM 0 HE ARG A 62 169.670 -18.799 -4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 62 171.123 -21.992 -5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 62 170.449 -22.155 -6.987 1.00 0.00 H new ATOM 0 HH21 ARG A 62 168.818 -19.026 -6.930 1.00 0.00 H new ATOM 0 HH22 ARG A 62 169.152 -20.485 -7.869 1.00 0.00 H new ATOM 1019 N ASP A 63 173.169 -16.180 -0.728 1.00 0.00 N ATOM 1020 CA ASP A 63 174.390 -16.180 0.073 1.00 0.00 C ATOM 1021 C ASP A 63 174.894 -14.759 0.323 1.00 0.00 C ATOM 1022 O ASP A 63 174.473 -13.809 -0.345 1.00 0.00 O ATOM 1023 CB ASP A 63 175.482 -17.003 -0.623 1.00 0.00 C ATOM 1024 CG ASP A 63 175.642 -16.645 -2.092 1.00 0.00 C ATOM 1025 OD1 ASP A 63 176.045 -15.500 -2.386 1.00 0.00 O ATOM 1026 OD2 ASP A 63 175.360 -17.510 -2.947 1.00 0.00 O ATOM 0 H ASP A 63 173.119 -15.431 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 63 174.154 -16.632 1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 63 176.431 -16.847 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 63 175.243 -18.063 -0.536 1.00 0.00 H new ATOM 1031 N ALA A 64 175.811 -14.627 1.283 1.00 0.00 N ATOM 1032 CA ALA A 64 176.394 -13.329 1.620 1.00 0.00 C ATOM 1033 C ALA A 64 177.374 -12.856 0.543 1.00 0.00 C ATOM 1034 O ALA A 64 177.729 -11.676 0.503 1.00 0.00 O ATOM 1035 CB ALA A 64 177.087 -13.389 2.974 1.00 0.00 C ATOM 0 H ALA A 64 176.166 -15.404 1.841 1.00 0.00 H new ATOM 0 HA ALA A 64 175.580 -12.606 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 64 177.515 -12.414 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 64 176.363 -13.661 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 64 177.881 -14.135 2.944 1.00 0.00 H new ATOM 1041 N GLN A 65 177.803 -13.772 -0.335 1.00 0.00 N ATOM 1042 CA GLN A 65 178.731 -13.429 -1.408 1.00 0.00 C ATOM 1043 C GLN A 65 178.093 -12.418 -2.358 1.00 0.00 C ATOM 1044 O GLN A 65 178.723 -11.430 -2.737 1.00 0.00 O ATOM 1045 CB GLN A 65 179.146 -14.686 -2.174 1.00 0.00 C ATOM 1046 CG GLN A 65 180.244 -15.482 -1.488 1.00 0.00 C ATOM 1047 CD GLN A 65 180.222 -16.950 -1.867 1.00 0.00 C ATOM 1048 OE1 GLN A 65 179.467 -17.738 -1.299 1.00 0.00 O ATOM 1049 NE2 GLN A 65 181.054 -17.327 -2.832 1.00 0.00 N ATOM 0 H GLN A 65 177.520 -14.752 -0.319 1.00 0.00 H new ATOM 0 HA GLN A 65 179.621 -12.980 -0.967 1.00 0.00 H new ATOM 0 HB2 GLN A 65 178.273 -15.326 -2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 65 179.484 -14.399 -3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 65 181.213 -15.057 -1.749 1.00 0.00 H new ATOM 0 HG3 GLN A 65 180.136 -15.388 -0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 65 181.663 -16.641 -3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 65 181.083 -18.303 -3.128 1.00 0.00 H new ATOM 1058 N GLU A 66 176.835 -12.665 -2.724 1.00 0.00 N ATOM 1059 CA GLU A 66 176.100 -11.770 -3.615 1.00 0.00 C ATOM 1060 C GLU A 66 175.783 -10.447 -2.917 1.00 0.00 C ATOM 1061 O GLU A 66 175.830 -9.385 -3.537 1.00 0.00 O ATOM 1062 CB GLU A 66 174.799 -12.429 -4.080 1.00 0.00 C ATOM 1063 CG GLU A 66 174.989 -13.421 -5.218 1.00 0.00 C ATOM 1064 CD GLU A 66 173.905 -14.487 -5.261 1.00 0.00 C ATOM 1065 OE1 GLU A 66 173.548 -15.026 -4.189 1.00 0.00 O ATOM 1066 OE2 GLU A 66 173.411 -14.782 -6.369 1.00 0.00 O ATOM 0 H GLU A 66 176.304 -13.479 -2.416 1.00 0.00 H new ATOM 0 HA GLU A 66 176.730 -11.568 -4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 66 174.340 -12.942 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.103 -11.653 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 66 174.999 -12.882 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 66 175.961 -13.903 -5.115 1.00 0.00 H new ATOM 1073 N PHE A 67 175.457 -10.522 -1.623 1.00 0.00 N ATOM 1074 CA PHE A 67 175.129 -9.330 -0.840 1.00 0.00 C ATOM 1075 C PHE A 67 176.349 -8.430 -0.682 1.00 0.00 C ATOM 1076 O PHE A 67 176.299 -7.240 -1.000 1.00 0.00 O ATOM 1077 CB PHE A 67 174.594 -9.730 0.538 1.00 0.00 C ATOM 1078 CG PHE A 67 173.696 -8.699 1.166 1.00 0.00 C ATOM 1079 CD1 PHE A 67 174.182 -7.444 1.504 1.00 0.00 C ATOM 1080 CD2 PHE A 67 172.367 -8.988 1.422 1.00 0.00 C ATOM 1081 CE1 PHE A 67 173.356 -6.500 2.084 1.00 0.00 C ATOM 1082 CE2 PHE A 67 171.538 -8.048 2.002 1.00 0.00 C ATOM 1083 CZ PHE A 67 172.032 -6.804 2.333 1.00 0.00 C ATOM 0 H PHE A 67 175.414 -11.395 -1.097 1.00 0.00 H new ATOM 0 HA PHE A 67 174.358 -8.776 -1.375 1.00 0.00 H new ATOM 0 HB2 PHE A 67 174.046 -10.668 0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 67 175.437 -9.918 1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 67 175.217 -7.202 1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 67 171.973 -9.960 1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 67 173.745 -5.526 2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 67 170.503 -8.287 2.196 1.00 0.00 H new ATOM 0 HZ PHE A 67 171.384 -6.068 2.786 1.00 0.00 H new ATOM 1093 N GLY A 68 177.444 -9.012 -0.190 1.00 0.00 N ATOM 1094 CA GLY A 68 178.673 -8.264 0.006 1.00 0.00 C ATOM 1095 C GLY A 68 179.176 -7.620 -1.273 1.00 0.00 C ATOM 1096 O GLY A 68 179.676 -6.495 -1.245 1.00 0.00 O ATOM 0 H GLY A 68 177.499 -9.995 0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.508 -7.491 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 68 179.441 -8.931 0.399 1.00 0.00 H new ATOM 1100 N ALA A 69 179.032 -8.331 -2.397 1.00 0.00 N ATOM 1101 CA ALA A 69 179.467 -7.818 -3.697 1.00 0.00 C ATOM 1102 C ALA A 69 178.723 -6.533 -4.062 1.00 0.00 C ATOM 1103 O ALA A 69 179.294 -5.631 -4.678 1.00 0.00 O ATOM 1104 CB ALA A 69 179.270 -8.870 -4.782 1.00 0.00 C ATOM 0 H ALA A 69 178.618 -9.262 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 69 180.529 -7.585 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 69 179.599 -8.470 -5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 69 179.855 -9.757 -4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.215 -9.137 -4.843 1.00 0.00 H new ATOM 1110 N ASP A 70 177.448 -6.454 -3.676 1.00 0.00 N ATOM 1111 CA ASP A 70 176.630 -5.277 -3.959 1.00 0.00 C ATOM 1112 C ASP A 70 176.981 -4.118 -3.025 1.00 0.00 C ATOM 1113 O ASP A 70 176.933 -2.955 -3.429 1.00 0.00 O ATOM 1114 CB ASP A 70 175.140 -5.617 -3.842 1.00 0.00 C ATOM 1115 CG ASP A 70 174.631 -6.399 -5.040 1.00 0.00 C ATOM 1116 OD1 ASP A 70 174.771 -5.904 -6.176 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.095 -7.507 -4.844 1.00 0.00 O ATOM 0 H ASP A 70 176.961 -7.192 -3.167 1.00 0.00 H new ATOM 0 HA ASP A 70 176.842 -4.964 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 70 174.972 -6.197 -2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 70 174.566 -4.696 -3.742 1.00 0.00 H new ATOM 1122 N VAL A 71 177.341 -4.434 -1.778 1.00 0.00 N ATOM 1123 CA VAL A 71 177.704 -3.402 -0.809 1.00 0.00 C ATOM 1124 C VAL A 71 179.004 -2.711 -1.220 1.00 0.00 C ATOM 1125 O VAL A 71 179.083 -1.482 -1.237 1.00 0.00 O ATOM 1126 CB VAL A 71 177.865 -3.974 0.619 1.00 0.00 C ATOM 1127 CG1 VAL A 71 178.109 -2.851 1.617 1.00 0.00 C ATOM 1128 CG2 VAL A 71 176.644 -4.794 1.023 1.00 0.00 C ATOM 0 H VAL A 71 177.388 -5.388 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 71 176.887 -2.680 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 71 178.730 -4.637 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 71 178.220 -3.271 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 71 179.018 -2.314 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 71 177.264 -2.163 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 71 176.785 -5.184 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 71 175.757 -4.161 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 71 176.517 -5.624 0.328 1.00 0.00 H new ATOM 1138 N ARG A 72 180.019 -3.511 -1.559 1.00 0.00 N ATOM 1139 CA ARG A 72 181.316 -2.976 -1.979 1.00 0.00 C ATOM 1140 C ARG A 72 181.186 -2.170 -3.276 1.00 0.00 C ATOM 1141 O ARG A 72 181.891 -1.178 -3.471 1.00 0.00 O ATOM 1142 CB ARG A 72 182.338 -4.108 -2.157 1.00 0.00 C ATOM 1143 CG ARG A 72 181.866 -5.231 -3.067 1.00 0.00 C ATOM 1144 CD ARG A 72 182.980 -5.726 -3.974 1.00 0.00 C ATOM 1145 NE ARG A 72 182.552 -5.815 -5.371 1.00 0.00 N ATOM 1146 CZ ARG A 72 183.335 -6.243 -6.367 1.00 0.00 C ATOM 1147 NH1 ARG A 72 184.587 -6.632 -6.126 1.00 0.00 N ATOM 1148 NH2 ARG A 72 182.863 -6.285 -7.607 1.00 0.00 N ATOM 0 H ARG A 72 179.967 -4.530 -1.551 1.00 0.00 H new ATOM 0 HA ARG A 72 181.670 -2.307 -1.195 1.00 0.00 H new ATOM 0 HB2 ARG A 72 183.260 -3.691 -2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 72 182.578 -4.524 -1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 72 181.495 -6.058 -2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 72 181.031 -4.881 -3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 72 183.834 -5.053 -3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 72 183.315 -6.706 -3.635 1.00 0.00 H new ATOM 0 HE ARG A 72 181.598 -5.533 -5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 72 184.955 -6.605 -5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 72 185.177 -6.957 -6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 72 181.905 -5.991 -7.798 1.00 0.00 H new ATOM 0 HH22 ARG A 72 183.458 -6.611 -8.368 1.00 0.00 H new ATOM 1162 N LEU A 73 180.276 -2.599 -4.155 1.00 0.00 N ATOM 1163 CA LEU A 73 180.047 -1.916 -5.425 1.00 0.00 C ATOM 1164 C LEU A 73 179.418 -0.544 -5.200 1.00 0.00 C ATOM 1165 O LEU A 73 179.875 0.454 -5.758 1.00 0.00 O ATOM 1166 CB LEU A 73 179.145 -2.762 -6.327 1.00 0.00 C ATOM 1167 CG LEU A 73 179.397 -2.604 -7.828 1.00 0.00 C ATOM 1168 CD1 LEU A 73 180.411 -3.634 -8.309 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.092 -2.724 -8.605 1.00 0.00 C ATOM 0 H LEU A 73 179.686 -3.418 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 73 181.011 -1.777 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 73 179.273 -3.811 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.106 -2.505 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 73 179.809 -1.611 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 73 180.579 -3.508 -9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 73 181.351 -3.496 -7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 73 180.030 -4.637 -8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 73 178.291 -2.609 -9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.648 -3.703 -8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 73 177.402 -1.946 -8.279 1.00 0.00 H new ATOM 1181 N MET A 74 178.367 -0.504 -4.377 1.00 0.00 N ATOM 1182 CA MET A 74 177.667 0.745 -4.073 1.00 0.00 C ATOM 1183 C MET A 74 178.609 1.770 -3.442 1.00 0.00 C ATOM 1184 O MET A 74 178.573 2.951 -3.795 1.00 0.00 O ATOM 1185 CB MET A 74 176.485 0.479 -3.140 1.00 0.00 C ATOM 1186 CG MET A 74 175.503 1.636 -3.057 1.00 0.00 C ATOM 1187 SD MET A 74 175.651 2.560 -1.516 1.00 0.00 S ATOM 1188 CE MET A 74 174.070 2.202 -0.758 1.00 0.00 C ATOM 0 H MET A 74 177.982 -1.324 -3.909 1.00 0.00 H new ATOM 0 HA MET A 74 177.297 1.156 -5.012 1.00 0.00 H new ATOM 0 HB2 MET A 74 175.957 -0.411 -3.481 1.00 0.00 H new ATOM 0 HB3 MET A 74 176.863 0.262 -2.141 1.00 0.00 H new ATOM 0 HG2 MET A 74 175.669 2.310 -3.898 1.00 0.00 H new ATOM 0 HG3 MET A 74 174.487 1.253 -3.151 1.00 0.00 H new ATOM 0 HE1 MET A 74 174.021 2.675 0.223 1.00 0.00 H new ATOM 0 HE2 MET A 74 173.269 2.589 -1.388 1.00 0.00 H new ATOM 0 HE3 MET A 74 173.956 1.124 -0.647 1.00 0.00 H new ATOM 1198 N PHE A 75 179.452 1.311 -2.514 1.00 0.00 N ATOM 1199 CA PHE A 75 180.408 2.190 -1.841 1.00 0.00 C ATOM 1200 C PHE A 75 181.359 2.829 -2.849 1.00 0.00 C ATOM 1201 O PHE A 75 181.628 4.030 -2.782 1.00 0.00 O ATOM 1202 CB PHE A 75 181.201 1.413 -0.787 1.00 0.00 C ATOM 1203 CG PHE A 75 180.601 1.502 0.587 1.00 0.00 C ATOM 1204 CD1 PHE A 75 180.632 2.695 1.291 1.00 0.00 C ATOM 1205 CD2 PHE A 75 179.996 0.400 1.169 1.00 0.00 C ATOM 1206 CE1 PHE A 75 180.072 2.786 2.548 1.00 0.00 C ATOM 1207 CE2 PHE A 75 179.435 0.485 2.428 1.00 0.00 C ATOM 1208 CZ PHE A 75 179.472 1.680 3.118 1.00 0.00 C ATOM 0 H PHE A 75 179.491 0.337 -2.213 1.00 0.00 H new ATOM 0 HA PHE A 75 179.848 2.982 -1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.259 0.366 -1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.222 1.793 -0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 75 181.100 3.563 0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 75 179.963 -0.536 0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 75 180.103 3.722 3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 75 178.968 -0.382 2.872 1.00 0.00 H new ATOM 0 HZ PHE A 75 179.032 1.750 4.102 1.00 0.00 H new ATOM 1218 N SER A 76 181.855 2.022 -3.791 1.00 0.00 N ATOM 1219 CA SER A 76 182.767 2.515 -4.822 1.00 0.00 C ATOM 1220 C SER A 76 182.076 3.557 -5.705 1.00 0.00 C ATOM 1221 O SER A 76 182.695 4.539 -6.119 1.00 0.00 O ATOM 1222 CB SER A 76 183.286 1.360 -5.684 1.00 0.00 C ATOM 1223 OG SER A 76 184.598 1.626 -6.152 1.00 0.00 O ATOM 0 H SER A 76 181.640 1.027 -3.859 1.00 0.00 H new ATOM 0 HA SER A 76 183.613 2.987 -4.323 1.00 0.00 H new ATOM 0 HB2 SER A 76 183.283 0.438 -5.103 1.00 0.00 H new ATOM 0 HB3 SER A 76 182.618 1.205 -6.531 1.00 0.00 H new ATOM 0 HG SER A 76 184.909 0.874 -6.698 1.00 0.00 H new ATOM 1229 N ASN A 77 180.787 3.338 -5.985 1.00 0.00 N ATOM 1230 CA ASN A 77 180.009 4.260 -6.814 1.00 0.00 C ATOM 1231 C ASN A 77 179.766 5.575 -6.081 1.00 0.00 C ATOM 1232 O ASN A 77 179.974 6.653 -6.641 1.00 0.00 O ATOM 1233 CB ASN A 77 178.667 3.634 -7.218 1.00 0.00 C ATOM 1234 CG ASN A 77 178.831 2.299 -7.926 1.00 0.00 C ATOM 1235 OD1 ASN A 77 178.085 1.355 -7.670 1.00 0.00 O ATOM 1236 ND2 ASN A 77 179.806 2.214 -8.828 1.00 0.00 N ATOM 0 H ASN A 77 180.262 2.530 -5.649 1.00 0.00 H new ATOM 0 HA ASN A 77 180.587 4.462 -7.716 1.00 0.00 H new ATOM 0 HB2 ASN A 77 178.053 3.495 -6.328 1.00 0.00 H new ATOM 0 HB3 ASN A 77 178.131 4.323 -7.871 1.00 0.00 H new ATOM 0 HD21 ASN A 77 179.956 1.342 -9.336 1.00 0.00 H new ATOM 0 HD22 ASN A 77 180.403 3.020 -9.011 1.00 0.00 H new ATOM 1243 N CYS A 78 179.329 5.477 -4.824 1.00 0.00 N ATOM 1244 CA CYS A 78 179.061 6.659 -4.006 1.00 0.00 C ATOM 1245 C CYS A 78 180.309 7.533 -3.871 1.00 0.00 C ATOM 1246 O CYS A 78 180.208 8.759 -3.806 1.00 0.00 O ATOM 1247 CB CYS A 78 178.563 6.250 -2.619 1.00 0.00 C ATOM 1248 SG CYS A 78 177.500 7.480 -1.829 1.00 0.00 S ATOM 0 H CYS A 78 179.153 4.590 -4.351 1.00 0.00 H new ATOM 0 HA CYS A 78 178.286 7.239 -4.507 1.00 0.00 H new ATOM 0 HB2 CYS A 78 178.015 5.311 -2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 78 179.423 6.061 -1.976 1.00 0.00 H new ATOM 0 HG CYS A 78 176.297 7.388 -2.312 1.00 0.00 H new ATOM 1254 N TYR A 79 181.482 6.894 -3.833 1.00 0.00 N ATOM 1255 CA TYR A 79 182.749 7.612 -3.712 1.00 0.00 C ATOM 1256 C TYR A 79 182.914 8.635 -4.839 1.00 0.00 C ATOM 1257 O TYR A 79 183.398 9.742 -4.614 1.00 0.00 O ATOM 1258 CB TYR A 79 183.919 6.625 -3.728 1.00 0.00 C ATOM 1259 CG TYR A 79 185.165 7.143 -3.044 1.00 0.00 C ATOM 1260 CD1 TYR A 79 185.893 8.197 -3.584 1.00 0.00 C ATOM 1261 CD2 TYR A 79 185.617 6.574 -1.860 1.00 0.00 C ATOM 1262 CE1 TYR A 79 187.033 8.669 -2.964 1.00 0.00 C ATOM 1263 CE2 TYR A 79 186.757 7.040 -1.234 1.00 0.00 C ATOM 1264 CZ TYR A 79 187.461 8.087 -1.790 1.00 0.00 C ATOM 1265 OH TYR A 79 188.598 8.552 -1.171 1.00 0.00 O ATOM 0 H TYR A 79 181.578 5.880 -3.885 1.00 0.00 H new ATOM 0 HA TYR A 79 182.743 8.148 -2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 79 183.608 5.700 -3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.160 6.378 -4.762 1.00 0.00 H new ATOM 0 HD1 TYR A 79 185.561 8.655 -4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 79 185.068 5.754 -1.422 1.00 0.00 H new ATOM 0 HE1 TYR A 79 187.586 9.490 -3.396 1.00 0.00 H new ATOM 0 HE2 TYR A 79 187.095 6.587 -0.314 1.00 0.00 H new ATOM 0 HH TYR A 79 188.761 8.035 -0.355 1.00 0.00 H new ATOM 1275 N LYS A 80 182.499 8.259 -6.049 1.00 0.00 N ATOM 1276 CA LYS A 80 182.592 9.149 -7.205 1.00 0.00 C ATOM 1277 C LYS A 80 181.519 10.233 -7.142 1.00 0.00 C ATOM 1278 O LYS A 80 181.773 11.386 -7.496 1.00 0.00 O ATOM 1279 CB LYS A 80 182.448 8.358 -8.507 1.00 0.00 C ATOM 1280 CG LYS A 80 182.828 9.156 -9.747 1.00 0.00 C ATOM 1281 CD LYS A 80 182.356 8.475 -11.026 1.00 0.00 C ATOM 1282 CE LYS A 80 183.445 7.605 -11.638 1.00 0.00 C ATOM 1283 NZ LYS A 80 183.701 6.375 -10.834 1.00 0.00 N ATOM 0 H LYS A 80 182.096 7.345 -6.253 1.00 0.00 H new ATOM 0 HA LYS A 80 183.573 9.623 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 80 183.073 7.467 -8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 80 181.417 8.019 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 80 182.393 10.153 -9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 80 183.910 9.282 -9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 80 181.480 7.863 -10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 80 182.046 9.231 -11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 80 183.156 7.322 -12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 80 184.366 8.182 -11.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 184.176 5.665 -11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 184.308 6.611 -10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 182.798 5.990 -10.491 1.00 0.00 H new ATOM 1297 N TYR A 81 180.320 9.853 -6.696 1.00 0.00 N ATOM 1298 CA TYR A 81 179.201 10.789 -6.589 1.00 0.00 C ATOM 1299 C TYR A 81 179.524 11.951 -5.646 1.00 0.00 C ATOM 1300 O TYR A 81 179.042 13.067 -5.848 1.00 0.00 O ATOM 1301 CB TYR A 81 177.939 10.067 -6.109 1.00 0.00 C ATOM 1302 CG TYR A 81 176.658 10.707 -6.597 1.00 0.00 C ATOM 1303 CD1 TYR A 81 176.160 10.434 -7.866 1.00 0.00 C ATOM 1304 CD2 TYR A 81 175.946 11.588 -5.790 1.00 0.00 C ATOM 1305 CE1 TYR A 81 174.993 11.020 -8.316 1.00 0.00 C ATOM 1306 CE2 TYR A 81 174.777 12.177 -6.234 1.00 0.00 C ATOM 1307 CZ TYR A 81 174.305 11.890 -7.497 1.00 0.00 C ATOM 1308 OH TYR A 81 173.140 12.473 -7.944 1.00 0.00 O ATOM 0 H TYR A 81 180.100 8.901 -6.403 1.00 0.00 H new ATOM 0 HA TYR A 81 179.025 11.198 -7.584 1.00 0.00 H new ATOM 0 HB2 TYR A 81 177.971 9.031 -6.448 1.00 0.00 H new ATOM 0 HB3 TYR A 81 177.934 10.046 -5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 81 176.695 9.752 -8.511 1.00 0.00 H new ATOM 0 HD2 TYR A 81 176.313 11.816 -4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 81 174.621 10.798 -9.305 1.00 0.00 H new ATOM 0 HE2 TYR A 81 174.236 12.859 -5.595 1.00 0.00 H new ATOM 0 HH TYR A 81 172.778 13.058 -7.246 1.00 0.00 H new ATOM 1318 N ASN A 82 180.341 11.692 -4.619 1.00 0.00 N ATOM 1319 CA ASN A 82 180.714 12.738 -3.665 1.00 0.00 C ATOM 1320 C ASN A 82 182.022 13.423 -4.080 1.00 0.00 C ATOM 1321 O ASN A 82 182.895 12.801 -4.687 1.00 0.00 O ATOM 1322 CB ASN A 82 180.830 12.175 -2.238 1.00 0.00 C ATOM 1323 CG ASN A 82 181.959 11.170 -2.066 1.00 0.00 C ATOM 1324 OD1 ASN A 82 183.098 11.418 -2.459 1.00 0.00 O ATOM 1325 ND2 ASN A 82 181.650 10.028 -1.461 1.00 0.00 N ATOM 0 H ASN A 82 180.752 10.778 -4.430 1.00 0.00 H new ATOM 0 HA ASN A 82 179.920 13.485 -3.671 1.00 0.00 H new ATOM 0 HB2 ASN A 82 180.982 13.001 -1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 82 179.888 11.699 -1.967 1.00 0.00 H new ATOM 0 HD21 ASN A 82 182.369 9.321 -1.309 1.00 0.00 H new ATOM 0 HD22 ASN A 82 180.694 9.859 -1.149 1.00 0.00 H new ATOM 1332 N PRO A 83 182.166 14.723 -3.758 1.00 0.00 N ATOM 1333 CA PRO A 83 183.363 15.503 -4.097 1.00 0.00 C ATOM 1334 C PRO A 83 184.523 15.257 -3.125 1.00 0.00 C ATOM 1335 O PRO A 83 184.344 14.629 -2.083 1.00 0.00 O ATOM 1336 CB PRO A 83 182.864 16.943 -3.990 1.00 0.00 C ATOM 1337 CG PRO A 83 181.805 16.896 -2.942 1.00 0.00 C ATOM 1338 CD PRO A 83 181.163 15.536 -3.041 1.00 0.00 C ATOM 0 HA PRO A 83 183.766 15.240 -5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 83 183.669 17.622 -3.710 1.00 0.00 H new ATOM 0 HB3 PRO A 83 182.465 17.296 -4.941 1.00 0.00 H new ATOM 0 HG2 PRO A 83 182.233 17.052 -1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 83 181.069 17.685 -3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 83 180.945 15.124 -2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 83 180.219 15.578 -3.585 1.00 0.00 H new ATOM 1346 N PRO A 84 185.734 15.749 -3.454 1.00 0.00 N ATOM 1347 CA PRO A 84 186.915 15.572 -2.602 1.00 0.00 C ATOM 1348 C PRO A 84 186.892 16.480 -1.374 1.00 0.00 C ATOM 1349 O PRO A 84 186.699 17.693 -1.491 1.00 0.00 O ATOM 1350 CB PRO A 84 188.073 15.943 -3.527 1.00 0.00 C ATOM 1351 CG PRO A 84 187.488 16.918 -4.489 1.00 0.00 C ATOM 1352 CD PRO A 84 186.049 16.512 -4.679 1.00 0.00 C ATOM 0 HA PRO A 84 186.981 14.561 -2.199 1.00 0.00 H new ATOM 0 HB2 PRO A 84 188.900 16.383 -2.970 1.00 0.00 H new ATOM 0 HB3 PRO A 84 188.466 15.066 -4.041 1.00 0.00 H new ATOM 0 HG2 PRO A 84 187.557 17.935 -4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 84 188.026 16.900 -5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 84 185.399 17.380 -4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 84 185.920 15.903 -5.574 1.00 0.00 H new ATOM 1360 N ASP A 85 187.093 15.878 -0.198 1.00 0.00 N ATOM 1361 CA ASP A 85 187.103 16.610 1.068 1.00 0.00 C ATOM 1362 C ASP A 85 185.745 17.264 1.343 1.00 0.00 C ATOM 1363 O ASP A 85 185.610 18.488 1.302 1.00 0.00 O ATOM 1364 CB ASP A 85 188.218 17.664 1.066 1.00 0.00 C ATOM 1365 CG ASP A 85 188.783 17.907 2.452 1.00 0.00 C ATOM 1366 OD1 ASP A 85 189.514 17.030 2.957 1.00 0.00 O ATOM 1367 OD2 ASP A 85 188.491 18.973 3.033 1.00 0.00 O ATOM 0 H ASP A 85 187.252 14.875 -0.099 1.00 0.00 H new ATOM 0 HA ASP A 85 187.297 15.896 1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 85 189.019 17.341 0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 85 187.829 18.600 0.665 1.00 0.00 H new ATOM 1372 N HIS A 86 184.738 16.434 1.621 1.00 0.00 N ATOM 1373 CA HIS A 86 183.391 16.926 1.899 1.00 0.00 C ATOM 1374 C HIS A 86 182.772 16.200 3.094 1.00 0.00 C ATOM 1375 O HIS A 86 183.184 15.090 3.439 1.00 0.00 O ATOM 1376 CB HIS A 86 182.507 16.755 0.663 1.00 0.00 C ATOM 1377 CG HIS A 86 181.412 17.772 0.550 1.00 0.00 C ATOM 1378 ND1 HIS A 86 181.487 19.036 1.101 1.00 0.00 N ATOM 1379 CD2 HIS A 86 180.207 17.704 -0.063 1.00 0.00 C ATOM 1380 CE1 HIS A 86 180.375 19.697 0.832 1.00 0.00 C ATOM 1381 NE2 HIS A 86 179.584 18.912 0.127 1.00 0.00 N ATOM 0 H HIS A 86 184.831 15.419 1.659 1.00 0.00 H new ATOM 0 HA HIS A 86 183.461 17.985 2.148 1.00 0.00 H new ATOM 0 HB2 HIS A 86 183.132 16.809 -0.228 1.00 0.00 H new ATOM 0 HB3 HIS A 86 182.064 15.759 0.681 1.00 0.00 H new ATOM 0 HD2 HIS A 86 179.810 16.856 -0.602 1.00 0.00 H new ATOM 0 HE1 HIS A 86 180.152 20.709 1.138 1.00 0.00 H new ATOM 0 HE2 HIS A 86 178.658 19.162 -0.221 1.00 0.00 H new ATOM 1390 N GLU A 87 181.778 16.837 3.720 1.00 0.00 N ATOM 1391 CA GLU A 87 181.099 16.258 4.881 1.00 0.00 C ATOM 1392 C GLU A 87 180.397 14.950 4.519 1.00 0.00 C ATOM 1393 O GLU A 87 180.494 13.966 5.253 1.00 0.00 O ATOM 1394 CB GLU A 87 180.082 17.248 5.455 1.00 0.00 C ATOM 1395 CG GLU A 87 180.494 17.833 6.796 1.00 0.00 C ATOM 1396 CD GLU A 87 179.310 18.164 7.686 1.00 0.00 C ATOM 1397 OE1 GLU A 87 178.465 17.270 7.914 1.00 0.00 O ATOM 1398 OE2 GLU A 87 179.229 19.316 8.160 1.00 0.00 O ATOM 0 H GLU A 87 181.426 17.753 3.442 1.00 0.00 H new ATOM 0 HA GLU A 87 181.858 16.044 5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 87 179.936 18.060 4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 87 179.121 16.746 5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 87 181.143 17.125 7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 87 181.079 18.737 6.628 1.00 0.00 H new ATOM 1405 N VAL A 88 179.698 14.945 3.383 1.00 0.00 N ATOM 1406 CA VAL A 88 178.983 13.751 2.926 1.00 0.00 C ATOM 1407 C VAL A 88 179.950 12.613 2.601 1.00 0.00 C ATOM 1408 O VAL A 88 179.609 11.438 2.751 1.00 0.00 O ATOM 1409 CB VAL A 88 178.104 14.036 1.686 1.00 0.00 C ATOM 1410 CG1 VAL A 88 176.853 14.808 2.086 1.00 0.00 C ATOM 1411 CG2 VAL A 88 178.887 14.788 0.613 1.00 0.00 C ATOM 0 H VAL A 88 179.611 15.751 2.764 1.00 0.00 H new ATOM 0 HA VAL A 88 178.335 13.452 3.750 1.00 0.00 H new ATOM 0 HB VAL A 88 177.799 13.079 1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 88 176.246 15.000 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 88 176.277 14.221 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 88 177.140 15.756 2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 88 178.242 14.973 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 88 179.236 15.739 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 88 179.743 14.190 0.301 1.00 0.00 H new ATOM 1421 N VAL A 89 181.156 12.967 2.159 1.00 0.00 N ATOM 1422 CA VAL A 89 182.170 11.975 1.819 1.00 0.00 C ATOM 1423 C VAL A 89 182.681 11.267 3.072 1.00 0.00 C ATOM 1424 O VAL A 89 182.886 10.052 3.065 1.00 0.00 O ATOM 1425 CB VAL A 89 183.363 12.609 1.079 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.259 11.530 0.495 1.00 0.00 C ATOM 1427 CG2 VAL A 89 182.885 13.560 -0.010 1.00 0.00 C ATOM 0 H VAL A 89 181.453 13.934 2.029 1.00 0.00 H new ATOM 0 HA VAL A 89 181.693 11.251 1.158 1.00 0.00 H new ATOM 0 HB VAL A 89 183.943 13.187 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 89 185.097 11.995 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.636 10.896 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 89 183.688 10.924 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.746 13.994 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.278 13.012 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 89 182.288 14.355 0.437 1.00 0.00 H new ATOM 1437 N ALA A 90 182.877 12.035 4.148 1.00 0.00 N ATOM 1438 CA ALA A 90 183.355 11.479 5.413 1.00 0.00 C ATOM 1439 C ALA A 90 182.433 10.364 5.905 1.00 0.00 C ATOM 1440 O ALA A 90 182.893 9.380 6.487 1.00 0.00 O ATOM 1441 CB ALA A 90 183.467 12.573 6.465 1.00 0.00 C ATOM 0 H ALA A 90 182.712 13.041 4.166 1.00 0.00 H new ATOM 0 HA ALA A 90 184.343 11.053 5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 90 183.824 12.143 7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 90 184.169 13.335 6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 90 182.489 13.026 6.624 1.00 0.00 H new ATOM 1447 N MET A 91 181.129 10.523 5.658 1.00 0.00 N ATOM 1448 CA MET A 91 180.141 9.527 6.065 1.00 0.00 C ATOM 1449 C MET A 91 180.347 8.219 5.305 1.00 0.00 C ATOM 1450 O MET A 91 180.305 7.142 5.896 1.00 0.00 O ATOM 1451 CB MET A 91 178.720 10.048 5.824 1.00 0.00 C ATOM 1452 CG MET A 91 178.247 11.044 6.871 1.00 0.00 C ATOM 1453 SD MET A 91 177.029 12.206 6.226 1.00 0.00 S ATOM 1454 CE MET A 91 177.727 13.763 6.768 1.00 0.00 C ATOM 0 H MET A 91 180.736 11.333 5.178 1.00 0.00 H new ATOM 0 HA MET A 91 180.273 9.339 7.130 1.00 0.00 H new ATOM 0 HB2 MET A 91 178.677 10.519 4.842 1.00 0.00 H new ATOM 0 HB3 MET A 91 178.032 9.203 5.802 1.00 0.00 H new ATOM 0 HG2 MET A 91 177.816 10.502 7.713 1.00 0.00 H new ATOM 0 HG3 MET A 91 179.105 11.598 7.253 1.00 0.00 H new ATOM 0 HE1 MET A 91 177.144 14.152 7.602 1.00 0.00 H new ATOM 0 HE2 MET A 91 178.758 13.608 7.087 1.00 0.00 H new ATOM 0 HE3 MET A 91 177.705 14.478 5.945 1.00 0.00 H new ATOM 1464 N ALA A 92 180.574 8.324 3.992 1.00 0.00 N ATOM 1465 CA ALA A 92 180.790 7.150 3.148 1.00 0.00 C ATOM 1466 C ALA A 92 182.010 6.356 3.607 1.00 0.00 C ATOM 1467 O ALA A 92 181.944 5.135 3.748 1.00 0.00 O ATOM 1468 CB ALA A 92 180.945 7.564 1.692 1.00 0.00 C ATOM 0 H ALA A 92 180.613 9.212 3.492 1.00 0.00 H new ATOM 0 HA ALA A 92 179.915 6.506 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 92 181.105 6.678 1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 92 180.042 8.077 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 92 181.799 8.234 1.593 1.00 0.00 H new ATOM 1474 N ARG A 93 183.120 7.058 3.844 1.00 0.00 N ATOM 1475 CA ARG A 93 184.355 6.414 4.294 1.00 0.00 C ATOM 1476 C ARG A 93 184.134 5.686 5.618 1.00 0.00 C ATOM 1477 O ARG A 93 184.587 4.554 5.796 1.00 0.00 O ATOM 1478 CB ARG A 93 185.480 7.444 4.440 1.00 0.00 C ATOM 1479 CG ARG A 93 185.849 8.136 3.135 1.00 0.00 C ATOM 1480 CD ARG A 93 186.274 9.576 3.369 1.00 0.00 C ATOM 1481 NE ARG A 93 187.609 9.669 3.959 1.00 0.00 N ATOM 1482 CZ ARG A 93 188.075 10.755 4.584 1.00 0.00 C ATOM 1483 NH1 ARG A 93 187.321 11.846 4.695 1.00 0.00 N ATOM 1484 NH2 ARG A 93 189.302 10.751 5.097 1.00 0.00 N ATOM 0 H ARG A 93 183.189 8.070 3.732 1.00 0.00 H new ATOM 0 HA ARG A 93 184.648 5.683 3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 93 185.179 8.197 5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 93 186.364 6.949 4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 93 186.658 7.591 2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 93 184.997 8.113 2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 93 186.259 10.116 2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 93 185.554 10.064 4.026 1.00 0.00 H new ATOM 0 HE ARG A 93 188.221 8.856 3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 93 186.380 11.858 4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 93 187.684 12.670 5.173 1.00 0.00 H new ATOM 0 HH21 ARG A 93 189.887 9.920 5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 93 189.658 11.579 5.574 1.00 0.00 H new ATOM 1498 N LYS A 94 183.423 6.338 6.541 1.00 0.00 N ATOM 1499 CA LYS A 94 183.129 5.747 7.844 1.00 0.00 C ATOM 1500 C LYS A 94 182.161 4.571 7.703 1.00 0.00 C ATOM 1501 O LYS A 94 182.318 3.547 8.369 1.00 0.00 O ATOM 1502 CB LYS A 94 182.536 6.800 8.783 1.00 0.00 C ATOM 1503 CG LYS A 94 182.662 6.449 10.258 1.00 0.00 C ATOM 1504 CD LYS A 94 181.983 7.489 11.134 1.00 0.00 C ATOM 1505 CE LYS A 94 181.969 7.070 12.597 1.00 0.00 C ATOM 1506 NZ LYS A 94 180.688 7.433 13.269 1.00 0.00 N ATOM 0 H LYS A 94 183.041 7.275 6.408 1.00 0.00 H new ATOM 0 HA LYS A 94 184.063 5.378 8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 94 183.031 7.754 8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 94 181.482 6.937 8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 94 182.217 5.471 10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 94 183.716 6.375 10.528 1.00 0.00 H new ATOM 0 HD2 LYS A 94 182.500 8.443 11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 94 180.960 7.643 10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 94 182.123 5.993 12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 94 182.800 7.546 13.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 180.720 7.130 14.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 180.553 8.463 13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 179.897 6.959 12.788 1.00 0.00 H new ATOM 1520 N LEU A 95 181.160 4.727 6.830 1.00 0.00 N ATOM 1521 CA LEU A 95 180.166 3.679 6.598 1.00 0.00 C ATOM 1522 C LEU A 95 180.808 2.441 5.970 1.00 0.00 C ATOM 1523 O LEU A 95 180.400 1.313 6.251 1.00 0.00 O ATOM 1524 CB LEU A 95 179.034 4.195 5.701 1.00 0.00 C ATOM 1525 CG LEU A 95 177.621 3.996 6.258 1.00 0.00 C ATOM 1526 CD1 LEU A 95 176.938 5.339 6.482 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.796 3.124 5.321 1.00 0.00 C ATOM 0 H LEU A 95 181.019 5.570 6.273 1.00 0.00 H new ATOM 0 HA LEU A 95 179.749 3.398 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 95 179.190 5.259 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 95 179.101 3.695 4.735 1.00 0.00 H new ATOM 0 HG LEU A 95 177.699 3.489 7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 95 175.936 5.176 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 95 177.518 5.928 7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.871 5.876 5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.795 2.993 5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 95 176.727 3.603 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 95 177.274 2.150 5.214 1.00 0.00 H new ATOM 1539 N GLN A 96 181.815 2.657 5.122 1.00 0.00 N ATOM 1540 CA GLN A 96 182.516 1.559 4.463 1.00 0.00 C ATOM 1541 C GLN A 96 183.344 0.765 5.471 1.00 0.00 C ATOM 1542 O GLN A 96 183.342 -0.467 5.451 1.00 0.00 O ATOM 1543 CB GLN A 96 183.423 2.096 3.351 1.00 0.00 C ATOM 1544 CG GLN A 96 183.958 1.015 2.424 1.00 0.00 C ATOM 1545 CD GLN A 96 184.932 1.555 1.390 1.00 0.00 C ATOM 1546 OE1 GLN A 96 185.270 2.740 1.393 1.00 0.00 O ATOM 1547 NE2 GLN A 96 185.388 0.687 0.493 1.00 0.00 N ATOM 0 H GLN A 96 182.162 3.584 4.877 1.00 0.00 H new ATOM 0 HA GLN A 96 181.771 0.895 4.024 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.868 2.826 2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 96 184.263 2.624 3.802 1.00 0.00 H new ATOM 0 HG2 GLN A 96 184.454 0.247 3.017 1.00 0.00 H new ATOM 0 HG3 GLN A 96 183.123 0.534 1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 96 185.084 -0.286 0.524 1.00 0.00 H new ATOM 0 HE22 GLN A 96 186.042 0.994 -0.227 1.00 0.00 H new ATOM 1556 N ASP A 97 184.048 1.482 6.350 1.00 0.00 N ATOM 1557 CA ASP A 97 184.883 0.850 7.371 1.00 0.00 C ATOM 1558 C ASP A 97 184.038 0.028 8.342 1.00 0.00 C ATOM 1559 O ASP A 97 184.375 -1.116 8.650 1.00 0.00 O ATOM 1560 CB ASP A 97 185.682 1.909 8.139 1.00 0.00 C ATOM 1561 CG ASP A 97 186.704 1.299 9.080 1.00 0.00 C ATOM 1562 OD1 ASP A 97 186.332 0.963 10.225 1.00 0.00 O ATOM 1563 OD2 ASP A 97 187.875 1.157 8.672 1.00 0.00 O ATOM 0 H ASP A 97 184.056 2.502 6.374 1.00 0.00 H new ATOM 0 HA ASP A 97 185.577 0.177 6.866 1.00 0.00 H new ATOM 0 HB2 ASP A 97 186.191 2.561 7.429 1.00 0.00 H new ATOM 0 HB3 ASP A 97 184.995 2.534 8.710 1.00 0.00 H new ATOM 1568 N VAL A 98 182.939 0.616 8.821 1.00 0.00 N ATOM 1569 CA VAL A 98 182.050 -0.072 9.757 1.00 0.00 C ATOM 1570 C VAL A 98 181.423 -1.312 9.115 1.00 0.00 C ATOM 1571 O VAL A 98 181.349 -2.368 9.745 1.00 0.00 O ATOM 1572 CB VAL A 98 180.937 0.861 10.297 1.00 0.00 C ATOM 1573 CG1 VAL A 98 180.056 1.380 9.170 1.00 0.00 C ATOM 1574 CG2 VAL A 98 180.103 0.142 11.350 1.00 0.00 C ATOM 0 H VAL A 98 182.645 1.562 8.577 1.00 0.00 H new ATOM 0 HA VAL A 98 182.667 -0.383 10.600 1.00 0.00 H new ATOM 0 HB VAL A 98 181.416 1.721 10.764 1.00 0.00 H new ATOM 0 HG11 VAL A 98 179.285 2.032 9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 98 180.665 1.941 8.461 1.00 0.00 H new ATOM 0 HG13 VAL A 98 179.586 0.540 8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 98 179.326 0.812 11.718 1.00 0.00 H new ATOM 0 HG22 VAL A 98 179.641 -0.741 10.908 1.00 0.00 H new ATOM 0 HG23 VAL A 98 180.744 -0.160 12.178 1.00 0.00 H new ATOM 1584 N PHE A 99 180.980 -1.182 7.860 1.00 0.00 N ATOM 1585 CA PHE A 99 180.369 -2.301 7.144 1.00 0.00 C ATOM 1586 C PHE A 99 181.377 -3.426 6.937 1.00 0.00 C ATOM 1587 O PHE A 99 181.095 -4.581 7.255 1.00 0.00 O ATOM 1588 CB PHE A 99 179.811 -1.845 5.790 1.00 0.00 C ATOM 1589 CG PHE A 99 178.401 -2.303 5.540 1.00 0.00 C ATOM 1590 CD1 PHE A 99 178.100 -3.654 5.464 1.00 0.00 C ATOM 1591 CD2 PHE A 99 177.377 -1.383 5.387 1.00 0.00 C ATOM 1592 CE1 PHE A 99 176.804 -4.078 5.239 1.00 0.00 C ATOM 1593 CE2 PHE A 99 176.079 -1.801 5.162 1.00 0.00 C ATOM 1594 CZ PHE A 99 175.792 -3.151 5.088 1.00 0.00 C ATOM 0 H PHE A 99 181.034 -0.316 7.323 1.00 0.00 H new ATOM 0 HA PHE A 99 179.546 -2.675 7.753 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.846 -0.757 5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 99 180.454 -2.222 4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 99 178.887 -4.384 5.582 1.00 0.00 H new ATOM 0 HD2 PHE A 99 177.595 -0.327 5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 99 176.583 -5.134 5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 99 175.290 -1.073 5.044 1.00 0.00 H new ATOM 0 HZ PHE A 99 174.778 -3.480 4.912 1.00 0.00 H new ATOM 1604 N GLU A 100 182.556 -3.083 6.409 1.00 0.00 N ATOM 1605 CA GLU A 100 183.609 -4.071 6.169 1.00 0.00 C ATOM 1606 C GLU A 100 183.987 -4.785 7.465 1.00 0.00 C ATOM 1607 O GLU A 100 184.103 -6.011 7.496 1.00 0.00 O ATOM 1608 CB GLU A 100 184.846 -3.406 5.555 1.00 0.00 C ATOM 1609 CG GLU A 100 185.450 -4.193 4.402 1.00 0.00 C ATOM 1610 CD GLU A 100 186.662 -5.007 4.815 1.00 0.00 C ATOM 1611 OE1 GLU A 100 186.481 -6.046 5.485 1.00 0.00 O ATOM 1612 OE2 GLU A 100 187.792 -4.606 4.467 1.00 0.00 O ATOM 0 H GLU A 100 182.804 -2.131 6.141 1.00 0.00 H new ATOM 0 HA GLU A 100 183.224 -4.809 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.576 -2.410 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.601 -3.276 6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.694 -4.860 3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 100 185.735 -3.503 3.608 1.00 0.00 H new ATOM 1619 N MET A 101 184.169 -4.008 8.535 1.00 0.00 N ATOM 1620 CA MET A 101 184.524 -4.562 9.838 1.00 0.00 C ATOM 1621 C MET A 101 183.423 -5.486 10.355 1.00 0.00 C ATOM 1622 O MET A 101 183.700 -6.590 10.826 1.00 0.00 O ATOM 1623 CB MET A 101 184.780 -3.439 10.848 1.00 0.00 C ATOM 1624 CG MET A 101 186.252 -3.096 11.014 1.00 0.00 C ATOM 1625 SD MET A 101 186.692 -2.725 12.723 1.00 0.00 S ATOM 1626 CE MET A 101 186.386 -4.307 13.505 1.00 0.00 C ATOM 0 H MET A 101 184.076 -2.992 8.522 1.00 0.00 H new ATOM 0 HA MET A 101 185.438 -5.144 9.717 1.00 0.00 H new ATOM 0 HB2 MET A 101 184.241 -2.546 10.531 1.00 0.00 H new ATOM 0 HB3 MET A 101 184.372 -3.731 11.816 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.857 -3.931 10.660 1.00 0.00 H new ATOM 0 HG3 MET A 101 186.494 -2.238 10.386 1.00 0.00 H new ATOM 0 HE1 MET A 101 187.022 -4.407 14.384 1.00 0.00 H new ATOM 0 HE2 MET A 101 185.340 -4.368 13.805 1.00 0.00 H new ATOM 0 HE3 MET A 101 186.610 -5.110 12.802 1.00 0.00 H new ATOM 1636 N ARG A 102 182.172 -5.028 10.262 1.00 0.00 N ATOM 1637 CA ARG A 102 181.028 -5.815 10.717 1.00 0.00 C ATOM 1638 C ARG A 102 180.870 -7.085 9.881 1.00 0.00 C ATOM 1639 O ARG A 102 180.610 -8.160 10.422 1.00 0.00 O ATOM 1640 CB ARG A 102 179.742 -4.982 10.656 1.00 0.00 C ATOM 1641 CG ARG A 102 179.230 -4.538 12.019 1.00 0.00 C ATOM 1642 CD ARG A 102 180.197 -3.578 12.698 1.00 0.00 C ATOM 1643 NE ARG A 102 179.500 -2.514 13.423 1.00 0.00 N ATOM 1644 CZ ARG A 102 180.065 -1.761 14.372 1.00 0.00 C ATOM 1645 NH1 ARG A 102 181.339 -1.947 14.717 1.00 0.00 N ATOM 1646 NH2 ARG A 102 179.354 -0.815 14.977 1.00 0.00 N ATOM 0 H ARG A 102 181.928 -4.116 9.876 1.00 0.00 H new ATOM 0 HA ARG A 102 181.211 -6.104 11.752 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.921 -4.100 10.041 1.00 0.00 H new ATOM 0 HB3 ARG A 102 178.966 -5.565 10.160 1.00 0.00 H new ATOM 0 HG2 ARG A 102 178.259 -4.056 11.904 1.00 0.00 H new ATOM 0 HG3 ARG A 102 179.079 -5.411 12.653 1.00 0.00 H new ATOM 0 HD2 ARG A 102 180.831 -4.132 13.390 1.00 0.00 H new ATOM 0 HD3 ARG A 102 180.854 -3.135 11.949 1.00 0.00 H new ATOM 0 HE ARG A 102 178.523 -2.336 13.190 1.00 0.00 H new ATOM 0 HH11 ARG A 102 181.892 -2.669 14.256 1.00 0.00 H new ATOM 0 HH12 ARG A 102 181.761 -1.367 15.442 1.00 0.00 H new ATOM 0 HH21 ARG A 102 178.379 -0.665 14.717 1.00 0.00 H new ATOM 0 HH22 ARG A 102 179.783 -0.239 15.701 1.00 0.00 H new ATOM 1660 N PHE A 103 181.034 -6.954 8.561 1.00 0.00 N ATOM 1661 CA PHE A 103 180.916 -8.094 7.652 1.00 0.00 C ATOM 1662 C PHE A 103 181.959 -9.161 7.981 1.00 0.00 C ATOM 1663 O PHE A 103 181.645 -10.350 8.038 1.00 0.00 O ATOM 1664 CB PHE A 103 181.079 -7.645 6.196 1.00 0.00 C ATOM 1665 CG PHE A 103 179.920 -8.021 5.313 1.00 0.00 C ATOM 1666 CD1 PHE A 103 178.750 -7.278 5.328 1.00 0.00 C ATOM 1667 CD2 PHE A 103 180.000 -9.119 4.470 1.00 0.00 C ATOM 1668 CE1 PHE A 103 177.683 -7.622 4.520 1.00 0.00 C ATOM 1669 CE2 PHE A 103 178.935 -9.469 3.660 1.00 0.00 C ATOM 1670 CZ PHE A 103 177.775 -8.718 3.685 1.00 0.00 C ATOM 0 H PHE A 103 181.249 -6.070 8.100 1.00 0.00 H new ATOM 0 HA PHE A 103 179.922 -8.522 7.782 1.00 0.00 H new ATOM 0 HB2 PHE A 103 181.207 -6.563 6.171 1.00 0.00 H new ATOM 0 HB3 PHE A 103 181.991 -8.083 5.790 1.00 0.00 H new ATOM 0 HD1 PHE A 103 178.671 -6.420 5.979 1.00 0.00 H new ATOM 0 HD2 PHE A 103 180.905 -9.708 4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 103 176.777 -7.034 4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 103 179.010 -10.328 3.009 1.00 0.00 H new ATOM 0 HZ PHE A 103 176.942 -8.988 3.053 1.00 0.00 H new ATOM 1680 N ALA A 104 183.200 -8.725 8.202 1.00 0.00 N ATOM 1681 CA ALA A 104 184.290 -9.639 8.535 1.00 0.00 C ATOM 1682 C ALA A 104 184.088 -10.257 9.916 1.00 0.00 C ATOM 1683 O ALA A 104 184.471 -11.399 10.147 1.00 0.00 O ATOM 1684 CB ALA A 104 185.629 -8.919 8.469 1.00 0.00 C ATOM 0 H ALA A 104 183.474 -7.744 8.156 1.00 0.00 H new ATOM 0 HA ALA A 104 184.288 -10.444 7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.429 -9.615 8.720 1.00 0.00 H new ATOM 0 HB2 ALA A 104 185.786 -8.534 7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.632 -8.091 9.178 1.00 0.00 H new ATOM 1690 N LYS A 105 183.481 -9.495 10.829 1.00 0.00 N ATOM 1691 CA LYS A 105 183.225 -9.981 12.183 1.00 0.00 C ATOM 1692 C LYS A 105 182.114 -11.031 12.189 1.00 0.00 C ATOM 1693 O LYS A 105 182.225 -12.054 12.860 1.00 0.00 O ATOM 1694 CB LYS A 105 182.857 -8.821 13.113 1.00 0.00 C ATOM 1695 CG LYS A 105 183.615 -8.835 14.431 1.00 0.00 C ATOM 1696 CD LYS A 105 183.023 -9.843 15.405 1.00 0.00 C ATOM 1697 CE LYS A 105 183.841 -11.127 15.454 1.00 0.00 C ATOM 1698 NZ LYS A 105 182.980 -12.342 15.402 1.00 0.00 N ATOM 0 H LYS A 105 183.159 -8.543 10.654 1.00 0.00 H new ATOM 0 HA LYS A 105 184.140 -10.447 12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 105 183.053 -7.879 12.601 1.00 0.00 H new ATOM 0 HB3 LYS A 105 181.787 -8.856 13.318 1.00 0.00 H new ATOM 0 HG2 LYS A 105 184.662 -9.077 14.247 1.00 0.00 H new ATOM 0 HG3 LYS A 105 183.591 -7.840 14.876 1.00 0.00 H new ATOM 0 HD2 LYS A 105 182.977 -9.403 16.401 1.00 0.00 H new ATOM 0 HD3 LYS A 105 181.999 -10.075 15.111 1.00 0.00 H new ATOM 0 HE2 LYS A 105 184.541 -11.143 14.618 1.00 0.00 H new ATOM 0 HE3 LYS A 105 184.435 -11.143 16.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 183.530 -13.171 15.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 182.164 -12.217 16.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 182.644 -12.488 14.429 1.00 0.00 H new ATOM 1712 N MET A 106 181.040 -10.775 11.439 1.00 0.00 N ATOM 1713 CA MET A 106 179.921 -11.715 11.364 1.00 0.00 C ATOM 1714 C MET A 106 180.318 -12.991 10.614 1.00 0.00 C ATOM 1715 O MET A 106 179.824 -14.076 10.925 1.00 0.00 O ATOM 1716 CB MET A 106 178.696 -11.064 10.705 1.00 0.00 C ATOM 1717 CG MET A 106 178.910 -10.641 9.257 1.00 0.00 C ATOM 1718 SD MET A 106 177.486 -10.999 8.210 1.00 0.00 S ATOM 1719 CE MET A 106 177.788 -12.715 7.788 1.00 0.00 C ATOM 0 H MET A 106 180.922 -9.931 10.879 1.00 0.00 H new ATOM 0 HA MET A 106 179.655 -11.990 12.385 1.00 0.00 H new ATOM 0 HB2 MET A 106 177.861 -11.764 10.747 1.00 0.00 H new ATOM 0 HB3 MET A 106 178.407 -10.189 11.287 1.00 0.00 H new ATOM 0 HG2 MET A 106 179.122 -9.572 9.222 1.00 0.00 H new ATOM 0 HG3 MET A 106 179.786 -11.153 8.859 1.00 0.00 H new ATOM 0 HE1 MET A 106 176.988 -13.077 7.142 1.00 0.00 H new ATOM 0 HE2 MET A 106 178.742 -12.799 7.267 1.00 0.00 H new ATOM 0 HE3 MET A 106 177.818 -13.314 8.698 1.00 0.00 H new ATOM 1729 N LEU A 107 181.202 -12.855 9.619 1.00 0.00 N ATOM 1730 CA LEU A 107 181.648 -14.003 8.831 1.00 0.00 C ATOM 1731 C LEU A 107 182.815 -14.729 9.500 1.00 0.00 C ATOM 1732 O LEU A 107 182.844 -15.960 9.536 1.00 0.00 O ATOM 1733 CB LEU A 107 182.058 -13.555 7.427 1.00 0.00 C ATOM 1734 CG LEU A 107 181.265 -14.197 6.288 1.00 0.00 C ATOM 1735 CD1 LEU A 107 181.001 -13.181 5.187 1.00 0.00 C ATOM 1736 CD2 LEU A 107 182.003 -15.412 5.739 1.00 0.00 C ATOM 0 H LEU A 107 181.619 -11.966 9.344 1.00 0.00 H new ATOM 0 HA LEU A 107 180.811 -14.698 8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 107 181.949 -12.472 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 107 183.115 -13.778 7.285 1.00 0.00 H new ATOM 0 HG LEU A 107 180.305 -14.533 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 107 180.436 -13.654 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 107 180.428 -12.347 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 107 181.950 -12.814 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 107 181.423 -15.855 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 107 182.978 -15.105 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 107 182.137 -16.146 6.533 1.00 0.00 H new ATOM 1748 N GLN A 108 183.775 -13.966 10.026 1.00 0.00 N ATOM 1749 CA GLN A 108 184.944 -14.546 10.688 1.00 0.00 C ATOM 1750 C GLN A 108 184.666 -14.800 12.171 1.00 0.00 C ATOM 1751 O GLN A 108 184.349 -13.832 12.893 1.00 0.00 O ATOM 1752 CB GLN A 108 186.161 -13.626 10.531 1.00 0.00 C ATOM 1753 CG GLN A 108 187.488 -14.306 10.829 1.00 0.00 C ATOM 1754 CD GLN A 108 188.455 -14.246 9.659 1.00 0.00 C ATOM 1755 OE1 GLN A 108 188.206 -14.828 8.604 1.00 0.00 O ATOM 1756 NE2 GLN A 108 189.567 -13.539 9.838 1.00 0.00 N ATOM 0 H GLN A 108 183.766 -12.946 10.006 1.00 0.00 H new ATOM 0 HA GLN A 108 185.159 -15.502 10.211 1.00 0.00 H new ATOM 0 HB2 GLN A 108 186.183 -13.239 9.512 1.00 0.00 H new ATOM 0 HB3 GLN A 108 186.045 -12.770 11.195 1.00 0.00 H new ATOM 0 HG2 GLN A 108 187.946 -13.834 11.698 1.00 0.00 H new ATOM 0 HG3 GLN A 108 187.306 -15.348 11.091 1.00 0.00 H new ATOM 0 HE21 GLN A 108 189.736 -13.071 10.728 1.00 0.00 H new ATOM 0 HE22 GLN A 108 190.251 -13.465 9.085 1.00 0.00 H new