USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 SER OG : rot 180:sc= 0.92 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= -0.665! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.189 USER MOD Single : A 12 CYS SG : rot -140:sc= -5.65! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 101:sc= -7.25! USER MOD Single : A 16 CYS SG : rot -53:sc= -1.22 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -130:sc= -12.6! (180deg=-22.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -3.62! C(o=-3.6!,f=-4.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -104:sc= 0.102 USER MOD Single : A 43 SER OG : rot -88:sc= -4.92! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.609 USER MOD Single : A 50 SER OG : rot 105:sc= -3.41! USER MOD Single : A 55 THR OG1 : rot -96:sc= -8.97! USER MOD Single : A 59 SER OG : rot 180:sc=-0.00298 USER MOD Single : A 60 GLN : amide:sc= -2.96! C(o=-3!,f=-5.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= -1.02! (180deg=-2.75!) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 2 6.976 -7.050 11.884 1.00 0.00 N ATOM 9 CA GLU A 2 6.706 -5.659 12.204 1.00 0.00 C ATOM 10 C GLU A 2 6.910 -4.782 10.968 1.00 0.00 C ATOM 11 O GLU A 2 6.038 -3.989 10.613 1.00 0.00 O ATOM 12 CB GLU A 2 7.580 -5.184 13.366 1.00 0.00 C ATOM 13 CG GLU A 2 7.264 -3.731 13.730 1.00 0.00 C ATOM 14 CD GLU A 2 7.021 -3.585 15.233 1.00 0.00 C ATOM 15 OE1 GLU A 2 7.937 -3.197 15.974 1.00 0.00 O ATOM 16 OE2 GLU A 2 5.829 -3.886 15.625 1.00 0.00 O ATOM 0 HA GLU A 2 5.666 -5.573 12.518 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.418 -5.824 14.233 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.632 -5.275 13.096 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.090 -3.088 13.427 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.383 -3.398 13.181 1.00 0.00 H new ATOM 24 N ALA A 3 8.067 -4.953 10.344 1.00 0.00 N ATOM 25 CA ALA A 3 8.397 -4.186 9.155 1.00 0.00 C ATOM 26 C ALA A 3 7.494 -4.628 8.001 1.00 0.00 C ATOM 27 O ALA A 3 6.967 -3.795 7.266 1.00 0.00 O ATOM 28 CB ALA A 3 9.883 -4.358 8.833 1.00 0.00 C ATOM 0 H ALA A 3 8.787 -5.612 10.640 1.00 0.00 H new ATOM 0 HA ALA A 3 8.221 -3.123 9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.131 -3.783 7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.481 -4.002 9.672 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.097 -5.412 8.656 1.00 0.00 H new ATOM 34 N VAL A 4 7.346 -5.938 7.879 1.00 0.00 N ATOM 35 CA VAL A 4 6.516 -6.502 6.827 1.00 0.00 C ATOM 36 C VAL A 4 5.219 -5.696 6.718 1.00 0.00 C ATOM 37 O VAL A 4 4.838 -5.270 5.629 1.00 0.00 O ATOM 38 CB VAL A 4 6.275 -7.990 7.091 1.00 0.00 C ATOM 39 CG1 VAL A 4 7.141 -8.856 6.174 1.00 0.00 C ATOM 40 CG2 VAL A 4 6.517 -8.332 8.562 1.00 0.00 C ATOM 0 H VAL A 4 7.786 -6.626 8.490 1.00 0.00 H new ATOM 0 HA VAL A 4 7.022 -6.434 5.864 1.00 0.00 H new ATOM 0 HB VAL A 4 5.231 -8.206 6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.951 -9.909 6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.897 -8.641 5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.193 -8.635 6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.339 -9.395 8.722 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.547 -8.093 8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.838 -7.752 9.187 1.00 0.00 H new ATOM 50 N ILE A 5 4.578 -5.511 7.863 1.00 0.00 N ATOM 51 CA ILE A 5 3.332 -4.764 7.911 1.00 0.00 C ATOM 52 C ILE A 5 3.641 -3.279 8.113 1.00 0.00 C ATOM 53 O ILE A 5 3.100 -2.428 7.408 1.00 0.00 O ATOM 54 CB ILE A 5 2.397 -5.348 8.972 1.00 0.00 C ATOM 55 CG1 ILE A 5 2.578 -6.863 9.086 1.00 0.00 C ATOM 56 CG2 ILE A 5 0.943 -4.963 8.694 1.00 0.00 C ATOM 57 CD1 ILE A 5 3.537 -7.385 8.015 1.00 0.00 C ATOM 0 H ILE A 5 4.898 -5.865 8.764 1.00 0.00 H new ATOM 0 HA ILE A 5 2.797 -4.853 6.965 1.00 0.00 H new ATOM 0 HB ILE A 5 2.664 -4.918 9.937 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.962 -7.113 10.075 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.611 -7.357 8.985 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.300 -5.391 9.463 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.846 -3.877 8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.645 -5.346 7.718 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.647 -8.464 8.120 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.139 -7.155 7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.510 -6.908 8.134 1.00 0.00 H new ATOM 69 N LYS A 6 4.510 -3.014 9.076 1.00 0.00 N ATOM 70 CA LYS A 6 4.897 -1.647 9.380 1.00 0.00 C ATOM 71 C LYS A 6 5.215 -0.911 8.078 1.00 0.00 C ATOM 72 O LYS A 6 4.954 0.286 7.956 1.00 0.00 O ATOM 73 CB LYS A 6 6.043 -1.627 10.394 1.00 0.00 C ATOM 74 CG LYS A 6 6.552 -0.201 10.618 1.00 0.00 C ATOM 75 CD LYS A 6 6.115 0.328 11.986 1.00 0.00 C ATOM 76 CE LYS A 6 7.305 0.900 12.758 1.00 0.00 C ATOM 77 NZ LYS A 6 7.424 0.250 14.082 1.00 0.00 N ATOM 0 H LYS A 6 4.958 -3.723 9.657 1.00 0.00 H new ATOM 0 HA LYS A 6 4.073 -1.114 9.855 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.704 -2.049 11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.859 -2.257 10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.640 -0.184 10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.172 0.452 9.833 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.356 1.100 11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.656 -0.476 12.561 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.222 0.749 12.188 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.181 1.976 12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.237 0.650 14.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.555 0.415 14.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.564 -0.773 13.955 1.00 0.00 H new ATOM 90 N VAL A 7 5.773 -1.655 7.134 1.00 0.00 N ATOM 91 CA VAL A 7 6.128 -1.088 5.846 1.00 0.00 C ATOM 92 C VAL A 7 4.854 -0.718 5.086 1.00 0.00 C ATOM 93 O VAL A 7 4.624 0.453 4.785 1.00 0.00 O ATOM 94 CB VAL A 7 7.022 -2.062 5.075 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.216 -2.832 4.026 1.00 0.00 C ATOM 96 CG2 VAL A 7 8.202 -1.331 4.432 1.00 0.00 C ATOM 0 H VAL A 7 5.988 -2.647 7.237 1.00 0.00 H new ATOM 0 HA VAL A 7 6.704 -0.172 5.978 1.00 0.00 H new ATOM 0 HB VAL A 7 7.423 -2.784 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.874 -3.517 3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.425 -3.398 4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.774 -2.130 3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.821 -2.046 3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.829 -0.576 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.798 -0.849 5.207 1.00 0.00 H new ATOM 106 N ILE A 8 4.057 -1.737 4.799 1.00 0.00 N ATOM 107 CA ILE A 8 2.810 -1.534 4.080 1.00 0.00 C ATOM 108 C ILE A 8 2.022 -0.403 4.746 1.00 0.00 C ATOM 109 O ILE A 8 1.425 0.427 4.062 1.00 0.00 O ATOM 110 CB ILE A 8 2.032 -2.847 3.976 1.00 0.00 C ATOM 111 CG1 ILE A 8 2.533 -3.688 2.800 1.00 0.00 C ATOM 112 CG2 ILE A 8 0.526 -2.587 3.894 1.00 0.00 C ATOM 113 CD1 ILE A 8 1.614 -4.886 2.552 1.00 0.00 C ATOM 0 H ILE A 8 4.251 -2.706 5.051 1.00 0.00 H new ATOM 0 HA ILE A 8 3.007 -1.225 3.053 1.00 0.00 H new ATOM 0 HB ILE A 8 2.210 -3.423 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.583 -3.071 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.545 -4.038 3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.004 -3.537 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.199 -2.057 4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.309 -1.982 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.993 -5.467 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.585 -5.513 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.608 -4.532 2.325 1.00 0.00 H new ATOM 125 N SER A 9 2.046 -0.408 6.071 1.00 0.00 N ATOM 126 CA SER A 9 1.341 0.608 6.835 1.00 0.00 C ATOM 127 C SER A 9 2.008 1.969 6.634 1.00 0.00 C ATOM 128 O SER A 9 1.426 2.865 6.025 1.00 0.00 O ATOM 129 CB SER A 9 1.304 0.249 8.322 1.00 0.00 C ATOM 130 OG SER A 9 1.508 1.389 9.152 1.00 0.00 O ATOM 0 H SER A 9 2.542 -1.099 6.635 1.00 0.00 H new ATOM 0 HA SER A 9 0.314 0.658 6.475 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.343 -0.206 8.561 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.071 -0.496 8.534 1.00 0.00 H new ATOM 0 HG SER A 9 1.476 1.118 10.093 1.00 0.00 H new ATOM 136 N SER A 10 3.219 2.084 7.160 1.00 0.00 N ATOM 137 CA SER A 10 3.971 3.321 7.046 1.00 0.00 C ATOM 138 C SER A 10 4.212 3.654 5.571 1.00 0.00 C ATOM 139 O SER A 10 3.929 4.766 5.128 1.00 0.00 O ATOM 140 CB SER A 10 5.302 3.229 7.793 1.00 0.00 C ATOM 141 OG SER A 10 5.504 4.338 8.666 1.00 0.00 O ATOM 0 H SER A 10 3.698 1.339 7.667 1.00 0.00 H new ATOM 0 HA SER A 10 3.385 4.119 7.501 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.331 2.304 8.369 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.119 3.181 7.073 1.00 0.00 H new ATOM 0 HG SER A 10 6.364 4.241 9.125 1.00 0.00 H new ATOM 147 N ALA A 11 4.734 2.670 4.853 1.00 0.00 N ATOM 148 CA ALA A 11 5.018 2.844 3.439 1.00 0.00 C ATOM 149 C ALA A 11 3.780 3.414 2.743 1.00 0.00 C ATOM 150 O ALA A 11 3.860 4.438 2.067 1.00 0.00 O ATOM 151 CB ALA A 11 5.462 1.508 2.839 1.00 0.00 C ATOM 0 H ALA A 11 4.968 1.749 5.225 1.00 0.00 H new ATOM 0 HA ALA A 11 5.834 3.552 3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.675 1.639 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.360 1.160 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.667 0.772 2.962 1.00 0.00 H new ATOM 157 N CYS A 12 2.665 2.724 2.932 1.00 0.00 N ATOM 158 CA CYS A 12 1.411 3.148 2.329 1.00 0.00 C ATOM 159 C CYS A 12 1.362 4.677 2.352 1.00 0.00 C ATOM 160 O CYS A 12 1.195 5.311 1.311 1.00 0.00 O ATOM 161 CB CYS A 12 0.205 2.528 3.037 1.00 0.00 C ATOM 162 SG CYS A 12 -1.345 3.227 2.361 1.00 0.00 S ATOM 0 H CYS A 12 2.603 1.875 3.494 1.00 0.00 H new ATOM 0 HA CYS A 12 1.363 2.798 1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.213 1.446 2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.263 2.720 4.108 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.192 3.421 3.328 1.00 0.00 H new ATOM 168 N LYS A 13 1.509 5.225 3.549 1.00 0.00 N ATOM 169 CA LYS A 13 1.482 6.668 3.721 1.00 0.00 C ATOM 170 C LYS A 13 2.914 7.206 3.702 1.00 0.00 C ATOM 171 O LYS A 13 3.262 8.026 2.853 1.00 0.00 O ATOM 172 CB LYS A 13 0.701 7.043 4.981 1.00 0.00 C ATOM 173 CG LYS A 13 0.106 8.448 4.860 1.00 0.00 C ATOM 174 CD LYS A 13 -1.057 8.467 3.865 1.00 0.00 C ATOM 175 CE LYS A 13 -1.831 9.783 3.953 1.00 0.00 C ATOM 176 NZ LYS A 13 -1.114 10.857 3.231 1.00 0.00 N ATOM 0 H LYS A 13 1.647 4.696 4.410 1.00 0.00 H new ATOM 0 HA LYS A 13 0.952 7.140 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.097 6.319 5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.359 6.996 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.241 8.785 5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.877 9.147 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.677 8.332 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.728 7.632 4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.827 9.655 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.963 10.065 4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.654 11.743 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.173 10.991 3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.010 10.593 2.230 1.00 0.00 H new ATOM 189 N THR A 14 3.707 6.723 4.648 1.00 0.00 N ATOM 190 CA THR A 14 5.092 7.145 4.751 1.00 0.00 C ATOM 191 C THR A 14 5.768 7.097 3.379 1.00 0.00 C ATOM 192 O THR A 14 6.666 7.888 3.097 1.00 0.00 O ATOM 193 CB THR A 14 5.779 6.264 5.798 1.00 0.00 C ATOM 194 OG1 THR A 14 4.821 6.162 6.848 1.00 0.00 O ATOM 195 CG2 THR A 14 6.975 6.957 6.452 1.00 0.00 C ATOM 0 H THR A 14 3.415 6.043 5.350 1.00 0.00 H new ATOM 0 HA THR A 14 5.166 8.182 5.079 1.00 0.00 H new ATOM 0 HB THR A 14 6.108 5.335 5.332 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.182 5.603 7.567 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.426 6.289 7.186 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.712 7.208 5.689 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.641 7.869 6.948 1.00 0.00 H new ATOM 203 N TYR A 15 5.309 6.159 2.562 1.00 0.00 N ATOM 204 CA TYR A 15 5.858 5.997 1.227 1.00 0.00 C ATOM 205 C TYR A 15 5.434 7.150 0.316 1.00 0.00 C ATOM 206 O TYR A 15 6.199 8.090 0.099 1.00 0.00 O ATOM 207 CB TYR A 15 5.271 4.693 0.685 1.00 0.00 C ATOM 208 CG TYR A 15 6.203 3.937 -0.265 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.228 4.607 -0.902 1.00 0.00 C ATOM 210 CD2 TYR A 15 6.018 2.587 -0.483 1.00 0.00 C ATOM 211 CE1 TYR A 15 8.105 3.894 -1.796 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.895 1.876 -1.378 1.00 0.00 C ATOM 213 CZ TYR A 15 7.895 2.565 -1.989 1.00 0.00 C ATOM 214 OH TYR A 15 8.724 1.893 -2.834 1.00 0.00 O ATOM 0 H TYR A 15 4.564 5.504 2.799 1.00 0.00 H new ATOM 0 HA TYR A 15 6.947 5.984 1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.020 4.044 1.524 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.340 4.915 0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.372 5.664 -0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.216 2.064 0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.911 4.404 -2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.761 0.820 -1.559 1.00 0.00 H new ATOM 0 HH TYR A 15 9.388 1.395 -2.313 1.00 0.00 H new ATOM 224 N CYS A 16 4.215 7.043 -0.194 1.00 0.00 N ATOM 225 CA CYS A 16 3.680 8.067 -1.076 1.00 0.00 C ATOM 226 C CYS A 16 2.607 8.847 -0.312 1.00 0.00 C ATOM 227 O CYS A 16 1.511 9.066 -0.824 1.00 0.00 O ATOM 228 CB CYS A 16 3.133 7.465 -2.372 1.00 0.00 C ATOM 229 SG CYS A 16 2.066 8.682 -3.225 1.00 0.00 S ATOM 0 H CYS A 16 3.583 6.263 -0.013 1.00 0.00 H new ATOM 0 HA CYS A 16 4.478 8.747 -1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.957 7.172 -3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.564 6.562 -2.152 1.00 0.00 H new ATOM 0 HG CYS A 16 1.158 9.115 -2.402 1.00 0.00 H new ATOM 235 N GLY A 17 2.963 9.245 0.901 1.00 0.00 N ATOM 236 CA GLY A 17 2.045 9.997 1.740 1.00 0.00 C ATOM 237 C GLY A 17 2.763 10.566 2.964 1.00 0.00 C ATOM 238 O GLY A 17 2.230 11.434 3.653 1.00 0.00 O ATOM 0 H GLY A 17 3.873 9.061 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.602 10.809 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.228 9.351 2.061 1.00 0.00 H new ATOM 242 N LYS A 18 3.961 10.053 3.199 1.00 0.00 N ATOM 243 CA LYS A 18 4.758 10.501 4.329 1.00 0.00 C ATOM 244 C LYS A 18 3.976 10.268 5.623 1.00 0.00 C ATOM 245 O LYS A 18 2.911 9.654 5.607 1.00 0.00 O ATOM 246 CB LYS A 18 5.205 11.951 4.132 1.00 0.00 C ATOM 247 CG LYS A 18 4.384 12.900 5.004 1.00 0.00 C ATOM 248 CD LYS A 18 4.278 14.285 4.362 1.00 0.00 C ATOM 249 CE LYS A 18 5.144 15.302 5.106 1.00 0.00 C ATOM 250 NZ LYS A 18 5.107 16.614 4.422 1.00 0.00 N ATOM 0 H LYS A 18 4.400 9.332 2.627 1.00 0.00 H new ATOM 0 HA LYS A 18 5.676 9.918 4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.262 12.046 4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.097 12.229 3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.386 12.488 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.846 12.986 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.590 14.231 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.239 14.614 4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.789 15.410 6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.172 14.943 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.700 17.293 4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.467 16.510 3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.128 16.963 4.392 1.00 0.00 H new ATOM 334 N LYS A 24 -6.691 6.692 4.699 1.00 0.00 N ATOM 335 CA LYS A 24 -6.002 5.865 3.723 1.00 0.00 C ATOM 336 C LYS A 24 -4.719 5.311 4.347 1.00 0.00 C ATOM 337 O LYS A 24 -4.467 4.107 4.287 1.00 0.00 O ATOM 338 CB LYS A 24 -5.767 6.648 2.429 1.00 0.00 C ATOM 339 CG LYS A 24 -7.041 7.369 1.986 1.00 0.00 C ATOM 340 CD LYS A 24 -6.755 8.327 0.827 1.00 0.00 C ATOM 341 CE LYS A 24 -6.894 9.783 1.273 1.00 0.00 C ATOM 342 NZ LYS A 24 -5.610 10.501 1.110 1.00 0.00 N ATOM 0 HA LYS A 24 -6.618 5.010 3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.968 7.374 2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.437 5.968 1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.790 6.638 1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.460 7.923 2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.748 8.154 0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.444 8.127 0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.670 10.276 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.209 9.821 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.723 11.488 1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.879 10.040 1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.325 10.480 0.110 1.00 0.00 H new ATOM 355 N GLU A 25 -3.946 6.212 4.932 1.00 0.00 N ATOM 356 CA GLU A 25 -2.696 5.827 5.566 1.00 0.00 C ATOM 357 C GLU A 25 -2.828 4.441 6.200 1.00 0.00 C ATOM 358 O GLU A 25 -2.296 3.462 5.675 1.00 0.00 O ATOM 359 CB GLU A 25 -2.266 6.866 6.604 1.00 0.00 C ATOM 360 CG GLU A 25 -1.227 6.283 7.564 1.00 0.00 C ATOM 361 CD GLU A 25 -0.535 7.390 8.362 1.00 0.00 C ATOM 362 OE1 GLU A 25 -0.967 7.713 9.478 1.00 0.00 O ATOM 363 OE2 GLU A 25 0.488 7.922 7.783 1.00 0.00 O ATOM 0 H GLU A 25 -4.160 7.208 4.981 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.921 5.783 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.851 7.739 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.136 7.206 7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.710 5.585 8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.485 5.717 7.002 1.00 0.00 H new ATOM 371 N ILE A 26 -3.537 4.400 7.318 1.00 0.00 N ATOM 372 CA ILE A 26 -3.744 3.151 8.029 1.00 0.00 C ATOM 373 C ILE A 26 -4.757 2.297 7.263 1.00 0.00 C ATOM 374 O ILE A 26 -4.621 1.075 7.197 1.00 0.00 O ATOM 375 CB ILE A 26 -4.140 3.419 9.482 1.00 0.00 C ATOM 376 CG1 ILE A 26 -3.193 4.430 10.129 1.00 0.00 C ATOM 377 CG2 ILE A 26 -4.219 2.116 10.278 1.00 0.00 C ATOM 378 CD1 ILE A 26 -1.761 3.894 10.169 1.00 0.00 C ATOM 0 H ILE A 26 -3.976 5.213 7.749 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.816 2.582 8.077 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.137 3.860 9.489 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.219 5.366 9.571 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.530 4.653 11.141 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.502 2.335 11.307 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.964 1.460 9.828 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.247 1.623 10.266 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.109 4.633 10.634 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.734 2.971 10.748 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.418 3.696 9.153 1.00 0.00 H new ATOM 390 N GLY A 27 -5.752 2.971 6.705 1.00 0.00 N ATOM 391 CA GLY A 27 -6.786 2.290 5.946 1.00 0.00 C ATOM 392 C GLY A 27 -6.181 1.475 4.801 1.00 0.00 C ATOM 393 O GLY A 27 -6.070 0.254 4.897 1.00 0.00 O ATOM 0 H GLY A 27 -5.864 3.983 6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.352 1.632 6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.488 3.021 5.545 1.00 0.00 H new ATOM 397 N ALA A 28 -5.808 2.183 3.747 1.00 0.00 N ATOM 398 CA ALA A 28 -5.217 1.540 2.585 1.00 0.00 C ATOM 399 C ALA A 28 -4.132 0.564 3.044 1.00 0.00 C ATOM 400 O ALA A 28 -4.005 -0.529 2.498 1.00 0.00 O ATOM 401 CB ALA A 28 -4.676 2.608 1.631 1.00 0.00 C ATOM 0 H ALA A 28 -5.903 3.196 3.672 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.967 0.966 2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.233 2.126 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.491 3.257 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.918 3.202 2.142 1.00 0.00 H new ATOM 407 N MET A 29 -3.377 0.996 4.043 1.00 0.00 N ATOM 408 CA MET A 29 -2.307 0.175 4.583 1.00 0.00 C ATOM 409 C MET A 29 -2.737 -1.290 4.680 1.00 0.00 C ATOM 410 O MET A 29 -2.060 -2.174 4.158 1.00 0.00 O ATOM 411 CB MET A 29 -1.919 0.687 5.972 1.00 0.00 C ATOM 412 CG MET A 29 -1.794 -0.468 6.966 1.00 0.00 C ATOM 413 SD MET A 29 -0.547 -1.618 6.413 1.00 0.00 S ATOM 414 CE MET A 29 -0.283 -2.540 7.919 1.00 0.00 C ATOM 0 H MET A 29 -3.485 1.905 4.493 1.00 0.00 H new ATOM 0 HA MET A 29 -1.451 0.240 3.911 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.973 1.226 5.914 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.668 1.396 6.325 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.534 -0.083 7.952 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.752 -0.978 7.066 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.785 -2.592 8.132 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.794 -2.043 8.744 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.679 -3.549 7.802 1.00 0.00 H new ATOM 424 N LEU A 30 -3.858 -1.501 5.352 1.00 0.00 N ATOM 425 CA LEU A 30 -4.386 -2.844 5.524 1.00 0.00 C ATOM 426 C LEU A 30 -5.495 -3.087 4.498 1.00 0.00 C ATOM 427 O LEU A 30 -5.482 -4.095 3.793 1.00 0.00 O ATOM 428 CB LEU A 30 -4.830 -3.063 6.972 1.00 0.00 C ATOM 429 CG LEU A 30 -3.955 -3.999 7.808 1.00 0.00 C ATOM 430 CD1 LEU A 30 -3.236 -3.231 8.918 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.773 -5.170 8.357 1.00 0.00 C ATOM 0 H LEU A 30 -4.416 -0.765 5.784 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.609 -3.586 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.869 -2.094 7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.846 -3.458 6.964 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.187 -4.420 7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.621 -3.920 9.497 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.602 -2.462 8.477 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.972 -2.763 9.572 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.127 -5.820 8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.577 -4.789 8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.198 -5.737 7.529 1.00 0.00 H new ATOM 443 N SER A 31 -6.426 -2.147 4.446 1.00 0.00 N ATOM 444 CA SER A 31 -7.539 -2.247 3.517 1.00 0.00 C ATOM 445 C SER A 31 -7.016 -2.336 2.082 1.00 0.00 C ATOM 446 O SER A 31 -7.644 -2.958 1.226 1.00 0.00 O ATOM 447 CB SER A 31 -8.487 -1.056 3.665 1.00 0.00 C ATOM 448 OG SER A 31 -9.254 -1.128 4.863 1.00 0.00 O ATOM 0 H SER A 31 -6.433 -1.312 5.032 1.00 0.00 H new ATOM 0 HA SER A 31 -8.099 -3.153 3.749 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.910 -0.131 3.659 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.158 -1.018 2.807 1.00 0.00 H new ATOM 0 HG SER A 31 -9.845 -0.348 4.920 1.00 0.00 H new ATOM 454 N LEU A 32 -5.872 -1.704 1.862 1.00 0.00 N ATOM 455 CA LEU A 32 -5.259 -1.703 0.546 1.00 0.00 C ATOM 456 C LEU A 32 -4.671 -3.088 0.261 1.00 0.00 C ATOM 457 O LEU A 32 -5.173 -3.815 -0.594 1.00 0.00 O ATOM 458 CB LEU A 32 -4.241 -0.567 0.429 1.00 0.00 C ATOM 459 CG LEU A 32 -3.942 -0.077 -0.989 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.402 -1.099 -2.031 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.556 1.305 -1.231 1.00 0.00 C ATOM 0 H LEU A 32 -5.354 -1.189 2.574 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.007 -1.509 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.601 0.278 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.306 -0.895 0.883 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.862 0.026 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.178 -0.726 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.880 -2.042 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.476 -1.258 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.329 1.631 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.637 1.251 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.139 2.018 -0.519 1.00 0.00 H new ATOM 473 N LEU A 33 -3.616 -3.410 0.995 1.00 0.00 N ATOM 474 CA LEU A 33 -2.954 -4.692 0.831 1.00 0.00 C ATOM 475 C LEU A 33 -3.865 -5.801 1.367 1.00 0.00 C ATOM 476 O LEU A 33 -4.062 -6.819 0.705 1.00 0.00 O ATOM 477 CB LEU A 33 -1.569 -4.667 1.480 1.00 0.00 C ATOM 478 CG LEU A 33 -0.465 -3.980 0.674 1.00 0.00 C ATOM 479 CD1 LEU A 33 -0.036 -4.842 -0.515 1.00 0.00 C ATOM 480 CD2 LEU A 33 -0.895 -2.578 0.240 1.00 0.00 C ATOM 0 H LEU A 33 -3.204 -2.805 1.705 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.781 -4.901 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.651 -4.168 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.263 -5.694 1.677 1.00 0.00 H new ATOM 0 HG LEU A 33 0.407 -3.864 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.750 -4.330 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.340 -5.799 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.891 -5.012 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.092 -2.112 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.789 -2.647 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.111 -1.974 1.122 1.00 0.00 H new ATOM 492 N GLN A 34 -4.393 -5.565 2.560 1.00 0.00 N ATOM 493 CA GLN A 34 -5.275 -6.530 3.191 1.00 0.00 C ATOM 494 C GLN A 34 -6.656 -6.499 2.530 1.00 0.00 C ATOM 495 O GLN A 34 -7.582 -7.166 2.987 1.00 0.00 O ATOM 496 CB GLN A 34 -5.382 -6.275 4.695 1.00 0.00 C ATOM 497 CG GLN A 34 -4.900 -7.488 5.493 1.00 0.00 C ATOM 498 CD GLN A 34 -3.647 -7.148 6.304 1.00 0.00 C ATOM 499 OE1 GLN A 34 -2.840 -6.313 5.929 1.00 0.00 O ATOM 500 NE2 GLN A 34 -3.530 -7.840 7.433 1.00 0.00 N ATOM 0 H GLN A 34 -4.226 -4.719 3.105 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.850 -7.524 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.789 -5.401 4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.416 -6.051 4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.691 -7.825 6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.685 -8.313 4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.242 -8.524 7.688 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.728 -7.686 8.045 1.00 0.00 H new ATOM 509 N LYS A 35 -6.749 -5.717 1.465 1.00 0.00 N ATOM 510 CA LYS A 35 -7.999 -5.590 0.737 1.00 0.00 C ATOM 511 C LYS A 35 -7.705 -5.482 -0.761 1.00 0.00 C ATOM 512 O LYS A 35 -8.441 -4.826 -1.496 1.00 0.00 O ATOM 513 CB LYS A 35 -8.823 -4.424 1.288 1.00 0.00 C ATOM 514 CG LYS A 35 -10.293 -4.819 1.448 1.00 0.00 C ATOM 515 CD LYS A 35 -10.615 -5.159 2.903 1.00 0.00 C ATOM 516 CE LYS A 35 -11.938 -5.920 3.010 1.00 0.00 C ATOM 517 NZ LYS A 35 -13.069 -4.978 3.143 1.00 0.00 N ATOM 0 H LYS A 35 -5.978 -5.165 1.089 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.613 -6.479 0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.420 -4.112 2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.743 -3.569 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.931 -4.002 1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.514 -5.677 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.810 -5.761 3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.670 -4.242 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.078 -6.543 2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.911 -6.589 3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.959 -5.512 3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.942 -4.401 3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.104 -4.357 2.309 1.00 0.00 H new ATOM 530 N GLU A 36 -6.626 -6.135 -1.168 1.00 0.00 N ATOM 531 CA GLU A 36 -6.225 -6.120 -2.564 1.00 0.00 C ATOM 532 C GLU A 36 -5.693 -7.493 -2.979 1.00 0.00 C ATOM 533 O GLU A 36 -5.371 -7.712 -4.145 1.00 0.00 O ATOM 534 CB GLU A 36 -5.187 -5.027 -2.824 1.00 0.00 C ATOM 535 CG GLU A 36 -3.945 -5.233 -1.955 1.00 0.00 C ATOM 536 CD GLU A 36 -3.184 -6.493 -2.375 1.00 0.00 C ATOM 537 OE1 GLU A 36 -3.268 -7.524 -1.691 1.00 0.00 O ATOM 538 OE2 GLU A 36 -2.489 -6.376 -3.455 1.00 0.00 O ATOM 0 H GLU A 36 -6.017 -6.678 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.102 -5.894 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.904 -5.032 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.623 -4.050 -2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.291 -4.365 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.238 -5.313 -0.908 1.00 0.00 H new ATOM 546 N GLY A 37 -5.615 -8.382 -1.998 1.00 0.00 N ATOM 547 CA GLY A 37 -5.126 -9.728 -2.246 1.00 0.00 C ATOM 548 C GLY A 37 -3.866 -10.014 -1.428 1.00 0.00 C ATOM 549 O GLY A 37 -3.027 -10.817 -1.832 1.00 0.00 O ATOM 0 H GLY A 37 -5.882 -8.196 -1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.900 -10.452 -1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.910 -9.850 -3.307 1.00 0.00 H new ATOM 553 N LEU A 38 -3.772 -9.340 -0.291 1.00 0.00 N ATOM 554 CA LEU A 38 -2.628 -9.510 0.590 1.00 0.00 C ATOM 555 C LEU A 38 -3.120 -9.722 2.023 1.00 0.00 C ATOM 556 O LEU A 38 -2.568 -9.152 2.963 1.00 0.00 O ATOM 557 CB LEU A 38 -1.658 -8.338 0.440 1.00 0.00 C ATOM 558 CG LEU A 38 -0.484 -8.557 -0.516 1.00 0.00 C ATOM 559 CD1 LEU A 38 -0.938 -8.463 -1.974 1.00 0.00 C ATOM 560 CD2 LEU A 38 0.661 -7.590 -0.209 1.00 0.00 C ATOM 0 H LEU A 38 -4.470 -8.674 0.041 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.062 -10.399 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.220 -7.468 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.259 -8.095 1.425 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.103 -9.567 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.084 -8.623 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.694 -9.224 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.360 -7.476 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.483 -7.767 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.309 -6.564 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.008 -7.749 0.812 1.00 0.00 H new ATOM 572 N LEU A 39 -4.152 -10.545 2.145 1.00 0.00 N ATOM 573 CA LEU A 39 -4.724 -10.840 3.448 1.00 0.00 C ATOM 574 C LEU A 39 -4.349 -12.266 3.854 1.00 0.00 C ATOM 575 O LEU A 39 -4.914 -12.817 4.797 1.00 0.00 O ATOM 576 CB LEU A 39 -6.232 -10.579 3.443 1.00 0.00 C ATOM 577 CG LEU A 39 -6.785 -9.818 4.650 1.00 0.00 C ATOM 578 CD1 LEU A 39 -8.304 -9.969 4.743 1.00 0.00 C ATOM 579 CD2 LEU A 39 -6.085 -10.253 5.939 1.00 0.00 C ATOM 0 H LEU A 39 -4.606 -11.016 1.363 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.311 -10.173 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.481 -10.020 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.746 -11.538 3.376 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.575 -8.757 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.672 -9.419 5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.765 -9.572 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.559 -11.024 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.496 -9.697 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.243 -11.320 6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.017 -10.052 5.859 1.00 0.00 H new ATOM 591 N MET A 40 -3.396 -12.825 3.121 1.00 0.00 N ATOM 592 CA MET A 40 -2.939 -14.176 3.393 1.00 0.00 C ATOM 593 C MET A 40 -1.565 -14.165 4.070 1.00 0.00 C ATOM 594 O MET A 40 -0.945 -15.213 4.241 1.00 0.00 O ATOM 595 CB MET A 40 -2.856 -14.961 2.082 1.00 0.00 C ATOM 596 CG MET A 40 -2.244 -16.345 2.310 1.00 0.00 C ATOM 597 SD MET A 40 -3.057 -17.550 1.274 1.00 0.00 S ATOM 598 CE MET A 40 -3.057 -18.954 2.375 1.00 0.00 C ATOM 0 H MET A 40 -2.929 -12.366 2.339 1.00 0.00 H new ATOM 0 HA MET A 40 -3.652 -14.651 4.067 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.853 -15.066 1.653 1.00 0.00 H new ATOM 0 HB3 MET A 40 -2.255 -14.408 1.360 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.177 -16.321 2.086 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.344 -16.628 3.358 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.532 -19.802 1.883 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.030 -19.213 2.634 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.608 -18.705 3.282 1.00 0.00 H new ATOM 608 N SER A 41 -1.130 -12.968 4.433 1.00 0.00 N ATOM 609 CA SER A 41 0.157 -12.805 5.086 1.00 0.00 C ATOM 610 C SER A 41 0.766 -11.452 4.713 1.00 0.00 C ATOM 611 O SER A 41 1.170 -11.242 3.571 1.00 0.00 O ATOM 612 CB SER A 41 1.112 -13.939 4.708 1.00 0.00 C ATOM 613 OG SER A 41 1.027 -14.272 3.325 1.00 0.00 O ATOM 0 H SER A 41 -1.647 -12.101 4.287 1.00 0.00 H new ATOM 0 HA SER A 41 0.001 -12.840 6.164 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.134 -13.647 4.948 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.883 -14.820 5.307 1.00 0.00 H new ATOM 0 HG SER A 41 0.524 -15.107 3.220 1.00 0.00 H new ATOM 619 N PRO A 42 0.817 -10.546 5.727 1.00 0.00 N ATOM 620 CA PRO A 42 1.369 -9.218 5.516 1.00 0.00 C ATOM 621 C PRO A 42 2.895 -9.267 5.440 1.00 0.00 C ATOM 622 O PRO A 42 3.539 -8.261 5.146 1.00 0.00 O ATOM 623 CB PRO A 42 0.860 -8.391 6.686 1.00 0.00 C ATOM 624 CG PRO A 42 0.428 -9.390 7.746 1.00 0.00 C ATOM 625 CD PRO A 42 0.348 -10.760 7.093 1.00 0.00 C ATOM 0 HA PRO A 42 1.058 -8.778 4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.640 -7.731 7.066 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.026 -7.758 6.383 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.140 -9.402 8.571 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.539 -9.109 8.163 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.971 -11.485 7.617 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.671 -11.146 7.106 1.00 0.00 H new ATOM 633 N SER A 43 3.433 -10.448 5.709 1.00 0.00 N ATOM 634 CA SER A 43 4.873 -10.640 5.674 1.00 0.00 C ATOM 635 C SER A 43 5.381 -10.528 4.235 1.00 0.00 C ATOM 636 O SER A 43 6.585 -10.423 4.005 1.00 0.00 O ATOM 637 CB SER A 43 5.262 -11.996 6.269 1.00 0.00 C ATOM 638 OG SER A 43 6.290 -11.873 7.248 1.00 0.00 O ATOM 0 H SER A 43 2.897 -11.281 5.952 1.00 0.00 H new ATOM 0 HA SER A 43 5.337 -9.861 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.385 -12.459 6.720 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.598 -12.659 5.472 1.00 0.00 H new ATOM 0 HG SER A 43 7.166 -11.921 6.811 1.00 0.00 H new ATOM 644 N ASP A 44 4.438 -10.553 3.305 1.00 0.00 N ATOM 645 CA ASP A 44 4.775 -10.453 1.895 1.00 0.00 C ATOM 646 C ASP A 44 5.967 -9.510 1.725 1.00 0.00 C ATOM 647 O ASP A 44 6.811 -9.722 0.856 1.00 0.00 O ATOM 648 CB ASP A 44 3.605 -9.888 1.088 1.00 0.00 C ATOM 649 CG ASP A 44 3.704 -10.094 -0.426 1.00 0.00 C ATOM 650 OD1 ASP A 44 2.871 -9.593 -1.195 1.00 0.00 O ATOM 651 OD2 ASP A 44 4.703 -10.813 -0.815 1.00 0.00 O ATOM 0 H ASP A 44 3.441 -10.641 3.500 1.00 0.00 H new ATOM 0 HA ASP A 44 5.012 -11.454 1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.683 -10.348 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.526 -8.820 1.290 1.00 0.00 H new ATOM 657 N LEU A 45 5.998 -8.489 2.568 1.00 0.00 N ATOM 658 CA LEU A 45 7.073 -7.512 2.522 1.00 0.00 C ATOM 659 C LEU A 45 8.419 -8.240 2.541 1.00 0.00 C ATOM 660 O LEU A 45 9.380 -7.790 1.921 1.00 0.00 O ATOM 661 CB LEU A 45 6.913 -6.486 3.645 1.00 0.00 C ATOM 662 CG LEU A 45 8.210 -5.950 4.254 1.00 0.00 C ATOM 663 CD1 LEU A 45 7.945 -4.702 5.098 1.00 0.00 C ATOM 664 CD2 LEU A 45 8.931 -7.037 5.053 1.00 0.00 C ATOM 0 H LEU A 45 5.296 -8.317 3.287 1.00 0.00 H new ATOM 0 HA LEU A 45 7.031 -6.943 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.340 -5.642 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.321 -6.937 4.441 1.00 0.00 H new ATOM 0 HG LEU A 45 8.872 -5.655 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.884 -4.342 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.506 -3.925 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.256 -4.949 5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.850 -6.629 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.285 -7.385 5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.173 -7.872 4.395 1.00 0.00 H new ATOM 676 N TYR A 46 8.443 -9.352 3.261 1.00 0.00 N ATOM 677 CA TYR A 46 9.656 -10.146 3.369 1.00 0.00 C ATOM 678 C TYR A 46 10.159 -10.569 1.988 1.00 0.00 C ATOM 679 O TYR A 46 11.287 -11.041 1.852 1.00 0.00 O ATOM 680 CB TYR A 46 9.272 -11.395 4.165 1.00 0.00 C ATOM 681 CG TYR A 46 9.281 -11.195 5.681 1.00 0.00 C ATOM 682 CD1 TYR A 46 9.930 -10.108 6.230 1.00 0.00 C ATOM 683 CD2 TYR A 46 8.642 -12.103 6.501 1.00 0.00 C ATOM 684 CE1 TYR A 46 9.939 -9.921 7.658 1.00 0.00 C ATOM 685 CE2 TYR A 46 8.652 -11.916 7.928 1.00 0.00 C ATOM 686 CZ TYR A 46 9.299 -10.833 8.436 1.00 0.00 C ATOM 687 OH TYR A 46 9.308 -10.655 9.785 1.00 0.00 O ATOM 0 H TYR A 46 7.643 -9.722 3.775 1.00 0.00 H new ATOM 0 HA TYR A 46 10.449 -9.573 3.848 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.277 -11.717 3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.961 -12.201 3.911 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.431 -9.398 5.589 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.134 -12.954 6.072 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.443 -9.075 8.101 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.157 -12.620 8.581 1.00 0.00 H new ATOM 0 HH TYR A 46 8.811 -11.382 10.214 1.00 0.00 H new ATOM 697 N SER A 47 9.299 -10.386 0.998 1.00 0.00 N ATOM 698 CA SER A 47 9.641 -10.742 -0.367 1.00 0.00 C ATOM 699 C SER A 47 10.045 -9.491 -1.150 1.00 0.00 C ATOM 700 O SER A 47 9.493 -8.413 -0.931 1.00 0.00 O ATOM 701 CB SER A 47 8.476 -11.449 -1.062 1.00 0.00 C ATOM 702 OG SER A 47 8.745 -11.694 -2.440 1.00 0.00 O ATOM 0 H SER A 47 8.364 -9.995 1.115 1.00 0.00 H new ATOM 0 HA SER A 47 10.484 -11.433 -0.338 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.274 -12.394 -0.559 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.576 -10.840 -0.971 1.00 0.00 H new ATOM 0 HG SER A 47 7.978 -12.148 -2.847 1.00 0.00 H new ATOM 708 N PRO A 48 11.027 -9.680 -2.071 1.00 0.00 N ATOM 709 CA PRO A 48 11.509 -8.579 -2.887 1.00 0.00 C ATOM 710 C PRO A 48 10.502 -8.226 -3.984 1.00 0.00 C ATOM 711 O PRO A 48 10.326 -8.985 -4.937 1.00 0.00 O ATOM 712 CB PRO A 48 12.844 -9.053 -3.439 1.00 0.00 C ATOM 713 CG PRO A 48 12.842 -10.566 -3.291 1.00 0.00 C ATOM 714 CD PRO A 48 11.701 -10.942 -2.360 1.00 0.00 C ATOM 0 HA PRO A 48 11.632 -7.658 -2.318 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.960 -8.763 -4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.674 -8.608 -2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.716 -11.044 -4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.794 -10.911 -2.887 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.023 -11.654 -2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.072 -11.411 -1.448 1.00 0.00 H new ATOM 722 N GLY A 49 9.867 -7.077 -3.812 1.00 0.00 N ATOM 723 CA GLY A 49 8.882 -6.614 -4.776 1.00 0.00 C ATOM 724 C GLY A 49 7.468 -7.020 -4.352 1.00 0.00 C ATOM 725 O GLY A 49 6.773 -7.716 -5.088 1.00 0.00 O ATOM 0 H GLY A 49 10.015 -6.452 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.941 -5.530 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.105 -7.031 -5.758 1.00 0.00 H new ATOM 729 N SER A 50 7.088 -6.567 -3.167 1.00 0.00 N ATOM 730 CA SER A 50 5.771 -6.874 -2.636 1.00 0.00 C ATOM 731 C SER A 50 4.787 -5.759 -2.999 1.00 0.00 C ATOM 732 O SER A 50 3.614 -5.817 -2.633 1.00 0.00 O ATOM 733 CB SER A 50 5.818 -7.065 -1.119 1.00 0.00 C ATOM 734 OG SER A 50 5.651 -8.431 -0.747 1.00 0.00 O ATOM 0 H SER A 50 7.669 -5.990 -2.559 1.00 0.00 H new ATOM 0 HA SER A 50 5.433 -7.809 -3.083 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.771 -6.699 -0.737 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.036 -6.464 -0.654 1.00 0.00 H new ATOM 0 HG SER A 50 6.517 -8.806 -0.482 1.00 0.00 H new ATOM 740 N TRP A 51 5.301 -4.770 -3.715 1.00 0.00 N ATOM 741 CA TRP A 51 4.483 -3.644 -4.133 1.00 0.00 C ATOM 742 C TRP A 51 4.047 -3.887 -5.579 1.00 0.00 C ATOM 743 O TRP A 51 3.109 -3.253 -6.062 1.00 0.00 O ATOM 744 CB TRP A 51 5.233 -2.323 -3.947 1.00 0.00 C ATOM 745 CG TRP A 51 5.298 -1.842 -2.497 1.00 0.00 C ATOM 746 CD1 TRP A 51 6.239 -2.106 -1.580 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.339 -0.996 -1.828 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.959 -1.496 -0.377 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.766 -0.798 -0.531 1.00 0.00 C ATOM 750 CE3 TRP A 51 3.150 -0.417 -2.304 1.00 0.00 C ATOM 751 CZ2 TRP A 51 4.065 -0.021 0.398 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.460 0.359 -1.363 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.877 0.566 -0.053 1.00 0.00 C ATOM 0 H TRP A 51 6.274 -4.725 -4.017 1.00 0.00 H new ATOM 0 HA TRP A 51 3.592 -3.562 -3.511 1.00 0.00 H new ATOM 0 HB2 TRP A 51 6.248 -2.437 -4.327 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.751 -1.555 -4.552 1.00 0.00 H new ATOM 0 HD1 TRP A 51 7.108 -2.720 -1.762 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.523 -1.547 0.471 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.796 -0.559 -3.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.421 0.118 1.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.540 0.829 -1.677 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.287 1.177 0.614 1.00 0.00 H new ATOM 764 N ASP A 52 4.747 -4.804 -6.229 1.00 0.00 N ATOM 765 CA ASP A 52 4.443 -5.138 -7.610 1.00 0.00 C ATOM 766 C ASP A 52 3.218 -6.052 -7.652 1.00 0.00 C ATOM 767 O ASP A 52 2.505 -6.095 -8.653 1.00 0.00 O ATOM 768 CB ASP A 52 5.610 -5.880 -8.266 1.00 0.00 C ATOM 769 CG ASP A 52 6.014 -5.358 -9.646 1.00 0.00 C ATOM 770 OD1 ASP A 52 6.301 -6.138 -10.566 1.00 0.00 O ATOM 771 OD2 ASP A 52 6.027 -4.073 -9.761 1.00 0.00 O ATOM 0 H ASP A 52 5.524 -5.327 -5.825 1.00 0.00 H new ATOM 0 HA ASP A 52 4.257 -4.209 -8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.475 -5.823 -7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.346 -6.934 -8.356 1.00 0.00 H new ATOM 777 N PRO A 53 3.006 -6.780 -6.523 1.00 0.00 N ATOM 778 CA PRO A 53 1.878 -7.692 -6.421 1.00 0.00 C ATOM 779 C PRO A 53 0.570 -6.924 -6.214 1.00 0.00 C ATOM 780 O PRO A 53 -0.464 -7.291 -6.772 1.00 0.00 O ATOM 781 CB PRO A 53 2.218 -8.610 -5.258 1.00 0.00 C ATOM 782 CG PRO A 53 3.296 -7.892 -4.461 1.00 0.00 C ATOM 783 CD PRO A 53 3.829 -6.756 -5.317 1.00 0.00 C ATOM 0 HA PRO A 53 1.719 -8.268 -7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.339 -8.802 -4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.574 -9.576 -5.615 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.887 -7.507 -3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.099 -8.581 -4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.747 -5.799 -4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.883 -6.900 -5.554 1.00 0.00 H new ATOM 791 N ILE A 54 0.658 -5.875 -5.411 1.00 0.00 N ATOM 792 CA ILE A 54 -0.506 -5.052 -5.123 1.00 0.00 C ATOM 793 C ILE A 54 -0.856 -4.223 -6.360 1.00 0.00 C ATOM 794 O ILE A 54 -1.988 -3.762 -6.503 1.00 0.00 O ATOM 795 CB ILE A 54 -0.271 -4.214 -3.866 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.566 -4.049 -3.067 1.00 0.00 C ATOM 797 CG2 ILE A 54 0.362 -2.865 -4.217 1.00 0.00 C ATOM 798 CD1 ILE A 54 -1.753 -2.598 -2.620 1.00 0.00 C ATOM 0 H ILE A 54 1.517 -5.575 -4.950 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.371 -5.677 -4.903 1.00 0.00 H new ATOM 0 HB ILE A 54 0.435 -4.745 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.415 -4.358 -3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.545 -4.702 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.519 -2.288 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.319 -3.030 -4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.301 -2.315 -4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.680 -2.508 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.914 -2.300 -1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.798 -1.950 -3.496 1.00 0.00 H new ATOM 810 N THR A 55 0.135 -4.058 -7.223 1.00 0.00 N ATOM 811 CA THR A 55 -0.055 -3.291 -8.443 1.00 0.00 C ATOM 812 C THR A 55 -1.167 -3.910 -9.293 1.00 0.00 C ATOM 813 O THR A 55 -2.167 -3.256 -9.585 1.00 0.00 O ATOM 814 CB THR A 55 1.291 -3.212 -9.167 1.00 0.00 C ATOM 815 OG1 THR A 55 1.721 -1.870 -8.955 1.00 0.00 O ATOM 816 CG2 THR A 55 1.147 -3.322 -10.685 1.00 0.00 C ATOM 0 H THR A 55 1.072 -4.442 -7.102 1.00 0.00 H new ATOM 0 HA THR A 55 -0.382 -2.275 -8.225 1.00 0.00 H new ATOM 0 HB THR A 55 1.944 -4.007 -8.806 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.472 -1.321 -9.728 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.131 -3.260 -11.149 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.686 -4.276 -10.938 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.521 -2.508 -11.051 1.00 0.00 H new ATOM 824 N ALA A 56 -0.955 -5.162 -9.667 1.00 0.00 N ATOM 825 CA ALA A 56 -1.925 -5.877 -10.478 1.00 0.00 C ATOM 826 C ALA A 56 -3.054 -6.389 -9.581 1.00 0.00 C ATOM 827 O ALA A 56 -4.114 -6.779 -10.072 1.00 0.00 O ATOM 828 CB ALA A 56 -1.226 -7.006 -11.237 1.00 0.00 C ATOM 0 H ALA A 56 -0.124 -5.701 -9.423 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.368 -5.213 -11.220 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.955 -7.542 -11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.453 -6.587 -11.882 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.771 -7.695 -10.526 1.00 0.00 H new ATOM 834 N ALA A 57 -2.790 -6.371 -8.284 1.00 0.00 N ATOM 835 CA ALA A 57 -3.772 -6.830 -7.314 1.00 0.00 C ATOM 836 C ALA A 57 -5.086 -6.078 -7.531 1.00 0.00 C ATOM 837 O ALA A 57 -6.079 -6.668 -7.955 1.00 0.00 O ATOM 838 CB ALA A 57 -3.218 -6.639 -5.899 1.00 0.00 C ATOM 0 H ALA A 57 -1.911 -6.046 -7.881 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.975 -7.893 -7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.953 -6.983 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.300 -7.215 -5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.007 -5.583 -5.730 1.00 0.00 H new ATOM 844 N LEU A 58 -5.051 -4.789 -7.232 1.00 0.00 N ATOM 845 CA LEU A 58 -6.227 -3.952 -7.388 1.00 0.00 C ATOM 846 C LEU A 58 -6.600 -3.876 -8.870 1.00 0.00 C ATOM 847 O LEU A 58 -7.773 -3.983 -9.226 1.00 0.00 O ATOM 848 CB LEU A 58 -6.003 -2.584 -6.740 1.00 0.00 C ATOM 849 CG LEU A 58 -5.477 -2.601 -5.303 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.950 -2.694 -5.281 1.00 0.00 C ATOM 851 CD2 LEU A 58 -5.989 -1.391 -4.519 1.00 0.00 C ATOM 0 H LEU A 58 -4.225 -4.303 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.077 -4.390 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.301 -2.023 -7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.946 -2.038 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.861 -3.492 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.601 -2.704 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.634 -3.610 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.526 -1.834 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.601 -1.426 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.653 -0.475 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.079 -1.409 -4.493 1.00 0.00 H new ATOM 863 N SER A 59 -5.580 -3.693 -9.695 1.00 0.00 N ATOM 864 CA SER A 59 -5.784 -3.601 -11.131 1.00 0.00 C ATOM 865 C SER A 59 -6.560 -4.824 -11.627 1.00 0.00 C ATOM 866 O SER A 59 -7.370 -4.718 -12.545 1.00 0.00 O ATOM 867 CB SER A 59 -4.452 -3.481 -11.871 1.00 0.00 C ATOM 868 OG SER A 59 -4.259 -4.544 -12.800 1.00 0.00 O ATOM 0 H SER A 59 -4.609 -3.606 -9.396 1.00 0.00 H new ATOM 0 HA SER A 59 -6.364 -2.701 -11.338 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.415 -2.528 -12.398 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.635 -3.478 -11.149 1.00 0.00 H new ATOM 0 HG SER A 59 -3.398 -4.430 -13.253 1.00 0.00 H new ATOM 874 N GLN A 60 -6.282 -5.956 -10.999 1.00 0.00 N ATOM 875 CA GLN A 60 -6.941 -7.197 -11.365 1.00 0.00 C ATOM 876 C GLN A 60 -8.404 -7.174 -10.913 1.00 0.00 C ATOM 877 O GLN A 60 -9.268 -7.756 -11.566 1.00 0.00 O ATOM 878 CB GLN A 60 -6.206 -8.403 -10.778 1.00 0.00 C ATOM 879 CG GLN A 60 -7.138 -9.612 -10.664 1.00 0.00 C ATOM 880 CD GLN A 60 -7.809 -9.914 -12.005 1.00 0.00 C ATOM 881 OE1 GLN A 60 -7.402 -9.443 -13.054 1.00 0.00 O ATOM 882 NE2 GLN A 60 -8.860 -10.725 -11.914 1.00 0.00 N ATOM 0 H GLN A 60 -5.608 -6.040 -10.238 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.917 -7.292 -12.451 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.353 -8.655 -11.408 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.812 -8.149 -9.794 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.572 -10.482 -10.332 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.899 -9.419 -9.908 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.149 -11.085 -11.005 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.376 -10.987 -12.754 1.00 0.00 H new ATOM 891 N ARG A 61 -8.635 -6.496 -9.799 1.00 0.00 N ATOM 892 CA ARG A 61 -9.977 -6.389 -9.251 1.00 0.00 C ATOM 893 C ARG A 61 -10.141 -5.067 -8.500 1.00 0.00 C ATOM 894 O ARG A 61 -10.370 -5.059 -7.292 1.00 0.00 O ATOM 895 CB ARG A 61 -10.279 -7.549 -8.300 1.00 0.00 C ATOM 896 CG ARG A 61 -10.580 -8.833 -9.077 1.00 0.00 C ATOM 897 CD ARG A 61 -11.985 -8.789 -9.683 1.00 0.00 C ATOM 898 NE ARG A 61 -12.918 -9.581 -8.851 1.00 0.00 N ATOM 899 CZ ARG A 61 -14.139 -9.984 -9.259 1.00 0.00 C ATOM 900 NH1 ARG A 61 -14.587 -9.673 -10.494 1.00 0.00 N ATOM 901 NH2 ARG A 61 -14.890 -10.689 -8.433 1.00 0.00 N ATOM 0 H ARG A 61 -7.915 -6.015 -9.260 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.678 -6.426 -10.085 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.429 -7.712 -7.638 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.130 -7.294 -7.669 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.842 -8.965 -9.869 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.493 -9.693 -8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.330 -7.757 -9.749 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.965 -9.184 -10.699 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.619 -9.838 -7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.001 -9.129 -11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.512 -9.982 -10.794 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.544 -10.921 -7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.816 -11.001 -8.726 1.00 0.00 H new ATOM 913 N ALA A 62 -10.017 -3.979 -9.248 1.00 0.00 N ATOM 914 CA ALA A 62 -10.148 -2.653 -8.667 1.00 0.00 C ATOM 915 C ALA A 62 -11.612 -2.404 -8.303 1.00 0.00 C ATOM 916 O ALA A 62 -11.942 -1.381 -7.703 1.00 0.00 O ATOM 917 CB ALA A 62 -9.604 -1.611 -9.646 1.00 0.00 C ATOM 0 H ALA A 62 -9.827 -3.989 -10.250 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.563 -2.575 -7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.702 -0.617 -9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.553 -1.816 -9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.169 -1.657 -10.577 1.00 0.00 H new ATOM 1040 N LEU A 71 -9.115 3.411 -7.735 1.00 0.00 N ATOM 1041 CA LEU A 71 -7.884 2.877 -7.180 1.00 0.00 C ATOM 1042 C LEU A 71 -6.988 4.033 -6.731 1.00 0.00 C ATOM 1043 O LEU A 71 -5.772 3.881 -6.637 1.00 0.00 O ATOM 1044 CB LEU A 71 -7.212 1.932 -8.179 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.908 0.522 -7.667 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.199 -0.236 -7.349 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.024 -0.241 -8.654 1.00 0.00 C ATOM 0 HA LEU A 71 -8.095 2.274 -6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.852 1.848 -9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.278 2.387 -8.508 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.348 0.610 -6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.955 -1.235 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.757 0.301 -6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.806 -0.315 -8.251 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.823 -1.240 -8.266 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.535 -0.321 -9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.083 0.293 -8.787 1.00 0.00 H new ATOM 1059 N LYS A 72 -7.625 5.164 -6.465 1.00 0.00 N ATOM 1060 CA LYS A 72 -6.901 6.347 -6.028 1.00 0.00 C ATOM 1061 C LYS A 72 -5.953 5.966 -4.889 1.00 0.00 C ATOM 1062 O LYS A 72 -4.779 6.333 -4.905 1.00 0.00 O ATOM 1063 CB LYS A 72 -7.876 7.470 -5.668 1.00 0.00 C ATOM 1064 CG LYS A 72 -7.350 8.825 -6.140 1.00 0.00 C ATOM 1065 CD LYS A 72 -7.952 9.205 -7.495 1.00 0.00 C ATOM 1066 CE LYS A 72 -7.355 10.515 -8.012 1.00 0.00 C ATOM 1067 NZ LYS A 72 -6.737 10.314 -9.342 1.00 0.00 N ATOM 0 H LYS A 72 -8.635 5.287 -6.544 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.286 6.739 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.846 7.274 -6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.029 7.491 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.593 9.590 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.263 8.790 -6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.768 8.408 -8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.033 9.306 -7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.133 11.275 -8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.608 10.883 -7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.337 11.213 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.981 9.604 -9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.459 9.984 -10.014 1.00 0.00 H new ATOM 1080 N THR A 73 -6.498 5.236 -3.927 1.00 0.00 N ATOM 1081 CA THR A 73 -5.715 4.801 -2.783 1.00 0.00 C ATOM 1082 C THR A 73 -4.515 3.969 -3.242 1.00 0.00 C ATOM 1083 O THR A 73 -3.403 4.156 -2.751 1.00 0.00 O ATOM 1084 CB THR A 73 -6.646 4.050 -1.831 1.00 0.00 C ATOM 1085 OG1 THR A 73 -7.951 4.486 -2.205 1.00 0.00 O ATOM 1086 CG2 THR A 73 -6.500 4.516 -0.380 1.00 0.00 C ATOM 0 H THR A 73 -7.472 4.935 -3.916 1.00 0.00 H new ATOM 0 HA THR A 73 -5.294 5.651 -2.246 1.00 0.00 H new ATOM 0 HB THR A 73 -6.441 2.981 -1.892 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.618 4.046 -1.638 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.183 3.951 0.254 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.475 4.352 -0.046 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.737 5.578 -0.313 1.00 0.00 H new ATOM 1094 N TRP A 74 -4.783 3.070 -4.177 1.00 0.00 N ATOM 1095 CA TRP A 74 -3.740 2.209 -4.707 1.00 0.00 C ATOM 1096 C TRP A 74 -2.592 3.098 -5.189 1.00 0.00 C ATOM 1097 O TRP A 74 -1.431 2.697 -5.141 1.00 0.00 O ATOM 1098 CB TRP A 74 -4.288 1.294 -5.804 1.00 0.00 C ATOM 1099 CG TRP A 74 -3.218 0.470 -6.520 1.00 0.00 C ATOM 1100 CD1 TRP A 74 -2.377 -0.429 -5.991 1.00 0.00 C ATOM 1101 CD2 TRP A 74 -2.904 0.505 -7.929 1.00 0.00 C ATOM 1102 NE1 TRP A 74 -1.549 -0.973 -6.952 1.00 0.00 N ATOM 1103 CE2 TRP A 74 -1.879 -0.386 -8.167 1.00 0.00 C ATOM 1104 CE3 TRP A 74 -3.469 1.268 -8.968 1.00 0.00 C ATOM 1105 CZ2 TRP A 74 -1.329 -0.601 -9.437 1.00 0.00 C ATOM 1106 CZ3 TRP A 74 -2.906 1.043 -10.230 1.00 0.00 C ATOM 1107 CH2 TRP A 74 -1.875 0.147 -10.487 1.00 0.00 C ATOM 0 H TRP A 74 -5.707 2.919 -4.581 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.362 1.541 -3.933 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.020 0.616 -5.365 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.816 1.901 -6.539 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.350 -0.695 -4.944 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -0.827 -1.677 -6.798 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.273 1.971 -8.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.527 -1.306 -9.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.301 1.606 -11.063 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.497 0.028 -11.492 1.00 0.00 H new ATOM 1118 N GLY A 75 -2.959 4.287 -5.640 1.00 0.00 N ATOM 1119 CA GLY A 75 -1.974 5.237 -6.131 1.00 0.00 C ATOM 1120 C GLY A 75 -0.968 5.601 -5.035 1.00 0.00 C ATOM 1121 O GLY A 75 0.241 5.541 -5.252 1.00 0.00 O ATOM 0 H GLY A 75 -3.924 4.615 -5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.448 4.812 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.476 6.138 -6.482 1.00 0.00 H new ATOM 1125 N LEU A 76 -1.507 5.968 -3.882 1.00 0.00 N ATOM 1126 CA LEU A 76 -0.673 6.340 -2.751 1.00 0.00 C ATOM 1127 C LEU A 76 0.209 5.153 -2.362 1.00 0.00 C ATOM 1128 O LEU A 76 1.405 5.317 -2.118 1.00 0.00 O ATOM 1129 CB LEU A 76 -1.533 6.869 -1.602 1.00 0.00 C ATOM 1130 CG LEU A 76 -1.935 8.342 -1.688 1.00 0.00 C ATOM 1131 CD1 LEU A 76 -3.077 8.542 -2.686 1.00 0.00 C ATOM 1132 CD2 LEU A 76 -2.279 8.900 -0.305 1.00 0.00 C ATOM 0 H LEU A 76 -2.511 6.016 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.006 7.158 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.441 6.268 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.992 6.715 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.080 8.907 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.343 9.598 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.759 8.209 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.943 7.962 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.561 9.949 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.110 8.336 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.411 8.813 0.349 1.00 0.00 H new ATOM 1144 N VAL A 77 -0.411 3.984 -2.316 1.00 0.00 N ATOM 1145 CA VAL A 77 0.304 2.770 -1.960 1.00 0.00 C ATOM 1146 C VAL A 77 1.295 2.423 -3.073 1.00 0.00 C ATOM 1147 O VAL A 77 2.500 2.350 -2.834 1.00 0.00 O ATOM 1148 CB VAL A 77 -0.690 1.642 -1.672 1.00 0.00 C ATOM 1149 CG1 VAL A 77 -0.737 1.321 -0.177 1.00 0.00 C ATOM 1150 CG2 VAL A 77 -2.082 1.990 -2.203 1.00 0.00 C ATOM 0 H VAL A 77 -1.402 3.851 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 77 0.879 2.919 -1.046 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.346 0.750 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.451 0.516 0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.252 1.009 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.046 2.208 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.769 1.172 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.438 2.901 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.032 2.145 -3.281 1.00 0.00 H new ATOM 1160 N LEU A 78 0.753 2.220 -4.263 1.00 0.00 N ATOM 1161 CA LEU A 78 1.576 1.882 -5.413 1.00 0.00 C ATOM 1162 C LEU A 78 2.466 3.076 -5.765 1.00 0.00 C ATOM 1163 O LEU A 78 3.690 2.958 -5.780 1.00 0.00 O ATOM 1164 CB LEU A 78 0.701 1.404 -6.574 1.00 0.00 C ATOM 1165 CG LEU A 78 1.186 0.149 -7.305 1.00 0.00 C ATOM 1166 CD1 LEU A 78 2.512 0.411 -8.023 1.00 0.00 C ATOM 1167 CD2 LEU A 78 1.277 -1.042 -6.350 1.00 0.00 C ATOM 0 H LEU A 78 -0.246 2.283 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 78 2.238 1.049 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.302 1.214 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.619 2.214 -7.299 1.00 0.00 H new ATOM 0 HG LEU A 78 0.451 -0.107 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.834 -0.496 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.379 1.211 -8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.268 0.705 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.624 -1.920 -6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.978 -0.812 -5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.294 -1.244 -5.925 1.00 0.00 H new ATOM 1179 N GLY A 79 1.817 4.198 -6.038 1.00 0.00 N ATOM 1180 CA GLY A 79 2.535 5.411 -6.389 1.00 0.00 C ATOM 1181 C GLY A 79 3.819 5.544 -5.567 1.00 0.00 C ATOM 1182 O GLY A 79 4.807 6.107 -6.040 1.00 0.00 O ATOM 0 H GLY A 79 0.801 4.293 -6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.778 5.400 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.897 6.278 -6.217 1.00 0.00 H new ATOM 1186 N ALA A 80 3.765 5.018 -4.353 1.00 0.00 N ATOM 1187 CA ALA A 80 4.911 5.072 -3.462 1.00 0.00 C ATOM 1188 C ALA A 80 5.993 4.117 -3.972 1.00 0.00 C ATOM 1189 O ALA A 80 7.159 4.492 -4.076 1.00 0.00 O ATOM 1190 CB ALA A 80 4.466 4.741 -2.035 1.00 0.00 C ATOM 0 H ALA A 80 2.945 4.552 -3.965 1.00 0.00 H new ATOM 0 HA ALA A 80 5.337 6.075 -3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.326 4.782 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.719 5.465 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.035 3.740 -2.011 1.00 0.00 H new ATOM 1196 N LEU A 81 5.567 2.899 -4.275 1.00 0.00 N ATOM 1197 CA LEU A 81 6.483 1.887 -4.771 1.00 0.00 C ATOM 1198 C LEU A 81 7.258 2.448 -5.965 1.00 0.00 C ATOM 1199 O LEU A 81 8.471 2.268 -6.064 1.00 0.00 O ATOM 1200 CB LEU A 81 5.734 0.589 -5.079 1.00 0.00 C ATOM 1201 CG LEU A 81 6.346 -0.296 -6.167 1.00 0.00 C ATOM 1202 CD1 LEU A 81 7.591 -1.017 -5.651 1.00 0.00 C ATOM 1203 CD2 LEU A 81 5.307 -1.272 -6.725 1.00 0.00 C ATOM 0 H LEU A 81 4.599 2.591 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 81 7.216 1.630 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.665 0.006 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.716 0.842 -5.374 1.00 0.00 H new ATOM 0 HG LEU A 81 6.664 0.343 -6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.006 -1.639 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.334 -0.283 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.322 -1.644 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.766 -1.890 -7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.938 -1.909 -5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.476 -0.712 -7.155 1.00 0.00 H new ATOM 1215 N LYS A 82 6.524 3.115 -6.845 1.00 0.00 N ATOM 1216 CA LYS A 82 7.126 3.704 -8.029 1.00 0.00 C ATOM 1217 C LYS A 82 8.005 4.886 -7.616 1.00 0.00 C ATOM 1218 O LYS A 82 8.926 5.263 -8.340 1.00 0.00 O ATOM 1219 CB LYS A 82 6.050 4.067 -9.053 1.00 0.00 C ATOM 1220 CG LYS A 82 5.819 2.918 -10.037 1.00 0.00 C ATOM 1221 CD LYS A 82 4.574 2.113 -9.657 1.00 0.00 C ATOM 1222 CE LYS A 82 4.944 0.672 -9.294 1.00 0.00 C ATOM 1223 NZ LYS A 82 6.173 0.258 -10.006 1.00 0.00 N ATOM 0 H LYS A 82 5.518 3.260 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 82 7.775 2.982 -8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.118 4.303 -8.539 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.349 4.963 -9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.706 3.315 -11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.690 2.263 -10.048 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.073 2.587 -8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.868 2.113 -10.488 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.095 0.589 -8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.123 0.003 -9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.185 -0.777 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.192 0.696 -10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.007 0.564 -9.466 1.00 0.00 H new ATOM 1236 N ALA A 83 7.691 5.437 -6.452 1.00 0.00 N ATOM 1237 CA ALA A 83 8.441 6.569 -5.934 1.00 0.00 C ATOM 1238 C ALA A 83 9.824 6.096 -5.485 1.00 0.00 C ATOM 1239 O ALA A 83 10.810 6.817 -5.631 1.00 0.00 O ATOM 1240 CB ALA A 83 7.653 7.227 -4.800 1.00 0.00 C ATOM 0 H ALA A 83 6.928 5.121 -5.854 1.00 0.00 H new ATOM 0 HA ALA A 83 8.586 7.321 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.215 8.076 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.690 7.572 -5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.491 6.503 -4.002 1.00 0.00 H new ATOM 1246 N ALA A 84 9.854 4.885 -4.947 1.00 0.00 N ATOM 1247 CA ALA A 84 11.102 4.306 -4.475 1.00 0.00 C ATOM 1248 C ALA A 84 12.054 4.125 -5.658 1.00 0.00 C ATOM 1249 O ALA A 84 13.211 4.537 -5.597 1.00 0.00 O ATOM 1250 CB ALA A 84 10.811 2.989 -3.753 1.00 0.00 C ATOM 0 H ALA A 84 9.035 4.289 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 84 11.588 4.970 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.746 2.554 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.154 3.177 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.326 2.296 -4.441 1.00 0.00 H new ATOM 1256 N ARG A 85 11.532 3.507 -6.708 1.00 0.00 N ATOM 1257 CA ARG A 85 12.322 3.266 -7.903 1.00 0.00 C ATOM 1258 C ARG A 85 12.685 4.591 -8.576 1.00 0.00 C ATOM 1259 O ARG A 85 13.678 4.673 -9.298 1.00 0.00 O ATOM 1260 CB ARG A 85 11.561 2.389 -8.898 1.00 0.00 C ATOM 1261 CG ARG A 85 12.171 0.988 -8.971 1.00 0.00 C ATOM 1262 CD ARG A 85 11.084 -0.074 -9.161 1.00 0.00 C ATOM 1263 NE ARG A 85 11.653 -1.267 -9.827 1.00 0.00 N ATOM 1264 CZ ARG A 85 10.920 -2.183 -10.495 1.00 0.00 C ATOM 1265 NH1 ARG A 85 9.580 -2.050 -10.591 1.00 0.00 N ATOM 1266 NH2 ARG A 85 11.533 -3.211 -11.052 1.00 0.00 N ATOM 0 H ARG A 85 10.572 3.166 -6.755 1.00 0.00 H new ATOM 0 HA ARG A 85 13.232 2.747 -7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.515 2.319 -8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.582 2.851 -9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.881 0.939 -9.797 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.730 0.783 -8.058 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.663 -0.353 -8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.268 0.332 -9.759 1.00 0.00 H new ATOM 0 HE ARG A 85 12.662 -1.406 -9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.114 -1.253 -10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.033 -2.746 -11.097 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.546 -3.304 -10.974 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.994 -3.912 -11.560 1.00 0.00 H new ATOM 1278 N GLU A 86 11.861 5.596 -8.316 1.00 0.00 N ATOM 1279 CA GLU A 86 12.081 6.913 -8.887 1.00 0.00 C ATOM 1280 C GLU A 86 13.176 7.651 -8.111 1.00 0.00 C ATOM 1281 O GLU A 86 13.951 8.408 -8.693 1.00 0.00 O ATOM 1282 CB GLU A 86 10.785 7.725 -8.912 1.00 0.00 C ATOM 1283 CG GLU A 86 10.151 7.700 -10.304 1.00 0.00 C ATOM 1284 CD GLU A 86 9.629 9.084 -10.694 1.00 0.00 C ATOM 1285 OE1 GLU A 86 8.715 9.609 -10.038 1.00 0.00 O ATOM 1286 OE2 GLU A 86 10.207 9.618 -11.716 1.00 0.00 O ATOM 0 H GLU A 86 11.039 5.524 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 86 12.412 6.790 -9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.084 7.321 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.991 8.755 -8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.886 7.365 -11.036 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.332 6.980 -10.322 1.00 0.00 H new ATOM 1294 N GLU A 87 13.202 7.405 -6.810 1.00 0.00 N ATOM 1295 CA GLU A 87 14.187 8.036 -5.949 1.00 0.00 C ATOM 1296 C GLU A 87 14.774 7.014 -4.975 1.00 0.00 C ATOM 1297 O GLU A 87 14.526 7.083 -3.772 1.00 0.00 O ATOM 1298 CB GLU A 87 13.580 9.223 -5.198 1.00 0.00 C ATOM 1299 CG GLU A 87 14.668 10.185 -4.720 1.00 0.00 C ATOM 1300 CD GLU A 87 15.329 10.898 -5.901 1.00 0.00 C ATOM 1301 OE1 GLU A 87 14.700 11.061 -6.956 1.00 0.00 O ATOM 1302 OE2 GLU A 87 16.540 11.292 -5.693 1.00 0.00 O ATOM 0 H GLU A 87 12.556 6.777 -6.331 1.00 0.00 H new ATOM 0 HA GLU A 87 14.994 8.418 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.883 9.751 -5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.007 8.863 -4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.235 10.921 -4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.421 9.636 -4.155 1.00 0.00 H new