USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 33 GLN : amide:sc= 0.0881 K(o=1.8,f=-3.2) USER MOD Set 1.2: A 46 LYS NZ :NH3+ -168:sc= 1.7 (180deg=0.365) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.379 K(o=0.62,f=-4.1!) USER MOD Set 2.2: A 26 THR OG1 : rot -160:sc= 0.239 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 178:sc=0.000439 USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= 0.29 (180deg=-0.411) USER MOD Single : A 12 GLN : amide:sc= 0.621 K(o=0.62,f=-5.1!) USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= 1.02 (180deg=-0.326!) USER MOD Single : A 17 MET CE :methyl -167:sc= -0.203 (180deg=-0.772) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 92:sc= 1.15 USER MOD Single : A 29 GLN : amide:sc= 1.21 K(o=1.2,f=-0.028) USER MOD Single : A 32 SER OG : rot -79:sc= 1.21 USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= 1.42 (180deg=1.28) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0.861 (180deg=0.833) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 170:sc= -0.95 (180deg=-1.23) USER MOD Single : A 51 SER OG : rot -37:sc= 0.0243 USER MOD Single : A 57 SER OG : rot -152:sc= 1.24 USER MOD Single : A 62 THR OG1 : rot -66:sc= 1.22 USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= 1.2 (180deg=1.19) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0.939 (180deg=0.77) USER MOD Single : A 67 GLN : amide:sc= 0.429 K(o=0.43,f=-3.2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -15.055 -2.549 6.246 1.00 0.00 N ATOM 11 CA TYR A 2 -13.865 -2.631 7.137 1.00 0.00 C ATOM 12 C TYR A 2 -12.556 -2.343 6.394 1.00 0.00 C ATOM 13 O TYR A 2 -11.709 -1.583 6.869 1.00 0.00 O ATOM 14 CB TYR A 2 -13.820 -3.949 7.937 1.00 0.00 C ATOM 15 CG TYR A 2 -12.532 -4.180 8.716 1.00 0.00 C ATOM 16 CD1 TYR A 2 -12.152 -3.302 9.751 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.708 -5.281 8.405 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.962 -3.521 10.469 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.524 -5.515 9.129 1.00 0.00 C ATOM 20 CZ TYR A 2 -10.145 -4.635 10.171 1.00 0.00 C ATOM 21 OH TYR A 2 -9.004 -4.849 10.879 1.00 0.00 O ATOM 0 HA TYR A 2 -13.975 -1.834 7.873 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.657 -3.963 8.635 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.965 -4.781 7.248 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.778 -2.456 9.994 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.988 -5.950 7.605 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.672 -2.835 11.251 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -9.904 -6.366 8.889 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.560 -5.658 10.548 1.00 0.00 H new ATOM 31 N PHE A 3 -12.450 -2.877 5.184 1.00 0.00 N ATOM 32 CA PHE A 3 -11.410 -2.680 4.210 1.00 0.00 C ATOM 33 C PHE A 3 -10.965 -1.223 4.099 1.00 0.00 C ATOM 34 O PHE A 3 -9.762 -1.017 3.987 1.00 0.00 O ATOM 35 CB PHE A 3 -11.921 -3.225 2.875 1.00 0.00 C ATOM 36 CG PHE A 3 -11.815 -4.721 2.702 1.00 0.00 C ATOM 37 CD1 PHE A 3 -10.553 -5.340 2.768 1.00 0.00 C ATOM 38 CD2 PHE A 3 -12.955 -5.484 2.395 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.436 -6.724 2.571 1.00 0.00 C ATOM 40 CE2 PHE A 3 -12.843 -6.869 2.205 1.00 0.00 C ATOM 41 CZ PHE A 3 -11.585 -7.485 2.299 1.00 0.00 C ATOM 0 H PHE A 3 -13.163 -3.518 4.837 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.515 -3.218 4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.966 -2.936 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.367 -2.743 2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.673 -4.748 2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -13.918 -5.003 2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.469 -7.201 2.628 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.721 -7.459 1.987 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.500 -8.553 2.161 1.00 0.00 H new ATOM 51 N CYS A 4 -11.865 -0.227 4.170 1.00 0.00 N ATOM 52 CA CYS A 4 -11.467 1.174 4.060 1.00 0.00 C ATOM 53 C CYS A 4 -10.392 1.528 5.084 1.00 0.00 C ATOM 54 O CYS A 4 -9.335 2.018 4.698 1.00 0.00 O ATOM 55 CB CYS A 4 -12.633 2.165 4.234 1.00 0.00 C ATOM 56 SG CYS A 4 -12.067 3.862 3.888 1.00 0.00 S ATOM 0 H CYS A 4 -12.866 -0.372 4.302 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.083 1.273 3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.449 1.901 3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.025 2.104 5.249 1.00 0.00 H new ATOM 0 HG CYS A 4 -13.059 4.689 4.036 1.00 0.00 H new ATOM 61 N GLU A 5 -10.670 1.320 6.375 1.00 0.00 N ATOM 62 CA GLU A 5 -9.765 1.723 7.446 1.00 0.00 C ATOM 63 C GLU A 5 -8.475 0.926 7.293 1.00 0.00 C ATOM 64 O GLU A 5 -7.398 1.518 7.226 1.00 0.00 O ATOM 65 CB GLU A 5 -10.424 1.517 8.820 1.00 0.00 C ATOM 66 CG GLU A 5 -9.771 2.369 9.922 1.00 0.00 C ATOM 67 CD GLU A 5 -8.281 2.096 10.148 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.911 0.959 10.520 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.461 3.038 10.033 1.00 0.00 O ATOM 0 H GLU A 5 -11.525 0.870 6.702 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.534 2.786 7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.483 1.767 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.362 0.464 9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.899 3.422 9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.303 2.197 10.858 1.00 0.00 H new ATOM 76 N SER A 6 -8.608 -0.397 7.130 1.00 0.00 N ATOM 77 CA SER A 6 -7.471 -1.282 6.919 1.00 0.00 C ATOM 78 C SER A 6 -6.564 -0.721 5.819 1.00 0.00 C ATOM 79 O SER A 6 -5.378 -0.504 6.045 1.00 0.00 O ATOM 80 CB SER A 6 -7.962 -2.683 6.540 1.00 0.00 C ATOM 81 OG SER A 6 -8.686 -3.302 7.582 1.00 0.00 O ATOM 0 H SER A 6 -9.508 -0.876 7.142 1.00 0.00 H new ATOM 0 HA SER A 6 -6.897 -1.349 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.593 -2.616 5.654 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.107 -3.305 6.276 1.00 0.00 H new ATOM 0 HG SER A 6 -9.005 -4.179 7.283 1.00 0.00 H new ATOM 87 N CYS A 7 -7.122 -0.463 4.638 1.00 0.00 N ATOM 88 CA CYS A 7 -6.432 0.051 3.469 1.00 0.00 C ATOM 89 C CYS A 7 -5.810 1.415 3.737 1.00 0.00 C ATOM 90 O CYS A 7 -4.655 1.629 3.375 1.00 0.00 O ATOM 91 CB CYS A 7 -7.431 0.123 2.320 1.00 0.00 C ATOM 92 SG CYS A 7 -6.750 0.675 0.738 1.00 0.00 S ATOM 0 H CYS A 7 -8.116 -0.616 4.468 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.611 -0.618 3.210 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.873 -0.864 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.239 0.797 2.604 1.00 0.00 H new ATOM 97 N ARG A 8 -6.547 2.333 4.366 1.00 0.00 N ATOM 98 CA ARG A 8 -6.051 3.665 4.676 1.00 0.00 C ATOM 99 C ARG A 8 -4.796 3.538 5.531 1.00 0.00 C ATOM 100 O ARG A 8 -3.779 4.131 5.191 1.00 0.00 O ATOM 101 CB ARG A 8 -7.145 4.497 5.369 1.00 0.00 C ATOM 102 CG ARG A 8 -6.809 5.993 5.322 1.00 0.00 C ATOM 103 CD ARG A 8 -7.709 6.806 6.263 1.00 0.00 C ATOM 104 NE ARG A 8 -7.579 8.253 6.012 1.00 0.00 N ATOM 105 CZ ARG A 8 -6.518 9.027 6.285 1.00 0.00 C ATOM 106 NH1 ARG A 8 -5.469 8.528 6.933 1.00 0.00 N ATOM 107 NH2 ARG A 8 -6.496 10.295 5.888 1.00 0.00 N ATOM 0 H ARG A 8 -7.506 2.168 4.673 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.789 4.192 3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.104 4.320 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.249 4.176 6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.765 6.141 5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.923 6.360 4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.747 6.503 6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.446 6.589 7.298 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.382 8.715 5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.468 7.551 7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.666 9.122 7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.287 10.682 5.374 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.688 10.881 6.097 1.00 0.00 H new ATOM 121 N LYS A 9 -4.859 2.767 6.617 1.00 0.00 N ATOM 122 CA LYS A 9 -3.736 2.517 7.511 1.00 0.00 C ATOM 123 C LYS A 9 -2.579 1.851 6.758 1.00 0.00 C ATOM 124 O LYS A 9 -1.433 2.265 6.924 1.00 0.00 O ATOM 125 CB LYS A 9 -4.262 1.677 8.689 1.00 0.00 C ATOM 126 CG LYS A 9 -3.202 1.414 9.765 1.00 0.00 C ATOM 127 CD LYS A 9 -3.755 0.640 10.975 1.00 0.00 C ATOM 128 CE LYS A 9 -4.392 1.520 12.066 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.779 1.939 11.777 1.00 0.00 N ATOM 0 H LYS A 9 -5.714 2.289 6.903 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.324 3.448 7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.111 2.190 9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.631 0.724 8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.378 0.851 9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.793 2.365 10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.500 -0.074 10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.945 0.062 11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.379 0.975 13.010 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.777 2.410 12.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.247 2.223 12.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.768 2.743 11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.299 1.147 11.349 1.00 0.00 H new ATOM 143 N ILE A 10 -2.876 0.828 5.954 1.00 0.00 N ATOM 144 CA ILE A 10 -1.914 0.057 5.174 1.00 0.00 C ATOM 145 C ILE A 10 -1.143 0.984 4.229 1.00 0.00 C ATOM 146 O ILE A 10 0.087 0.984 4.279 1.00 0.00 O ATOM 147 CB ILE A 10 -2.638 -1.129 4.484 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.889 -2.245 5.524 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.850 -1.720 3.310 1.00 0.00 C ATOM 150 CD1 ILE A 10 -3.943 -3.276 5.090 1.00 0.00 C ATOM 0 H ILE A 10 -3.834 0.503 5.825 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.156 -0.392 5.815 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.573 -0.737 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.950 -2.762 5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.206 -1.789 6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.413 -2.545 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.689 -0.950 2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.887 -2.086 3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.062 -4.026 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.895 -2.774 4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.620 -3.761 4.169 1.00 0.00 H new ATOM 162 N ILE A 11 -1.833 1.768 3.388 1.00 0.00 N ATOM 163 CA ILE A 11 -1.174 2.724 2.506 1.00 0.00 C ATOM 164 C ILE A 11 -0.414 3.739 3.352 1.00 0.00 C ATOM 165 O ILE A 11 0.764 3.918 3.094 1.00 0.00 O ATOM 166 CB ILE A 11 -2.153 3.407 1.512 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.658 2.485 0.372 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.532 4.665 0.870 1.00 0.00 C ATOM 169 CD1 ILE A 11 -1.583 1.865 -0.530 1.00 0.00 C ATOM 0 H ILE A 11 -2.850 1.754 3.305 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.469 2.180 1.878 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.010 3.672 2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.238 1.677 0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.341 3.059 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.248 5.113 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.279 5.384 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.630 4.388 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.059 1.242 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.015 2.658 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.911 1.254 0.072 1.00 0.00 H new ATOM 181 N GLN A 12 -1.033 4.378 4.349 1.00 0.00 N ATOM 182 CA GLN A 12 -0.383 5.454 5.095 1.00 0.00 C ATOM 183 C GLN A 12 0.961 5.032 5.681 1.00 0.00 C ATOM 184 O GLN A 12 1.926 5.765 5.494 1.00 0.00 O ATOM 185 CB GLN A 12 -1.309 6.021 6.179 1.00 0.00 C ATOM 186 CG GLN A 12 -2.443 6.865 5.577 1.00 0.00 C ATOM 187 CD GLN A 12 -2.169 8.370 5.609 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.818 9.085 6.371 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.294 8.898 4.770 1.00 0.00 N ATOM 0 H GLN A 12 -1.983 4.167 4.656 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.176 6.249 4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.734 5.202 6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.728 6.632 6.870 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.606 6.556 4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.365 6.660 6.121 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.761 8.295 4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.152 9.908 4.750 1.00 0.00 H new ATOM 198 N LYS A 13 1.074 3.884 6.371 1.00 0.00 N ATOM 199 CA LYS A 13 2.389 3.513 6.898 1.00 0.00 C ATOM 200 C LYS A 13 3.365 3.126 5.782 1.00 0.00 C ATOM 201 O LYS A 13 4.570 3.226 5.989 1.00 0.00 O ATOM 202 CB LYS A 13 2.321 2.519 8.072 1.00 0.00 C ATOM 203 CG LYS A 13 3.614 2.463 8.928 1.00 0.00 C ATOM 204 CD LYS A 13 4.202 3.847 9.280 1.00 0.00 C ATOM 205 CE LYS A 13 5.313 3.832 10.340 1.00 0.00 C ATOM 206 NZ LYS A 13 6.003 5.143 10.411 1.00 0.00 N ATOM 0 H LYS A 13 0.315 3.232 6.567 1.00 0.00 H new ATOM 0 HA LYS A 13 2.813 4.409 7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.483 2.789 8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.114 1.523 7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.401 1.926 9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.367 1.887 8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.596 4.299 8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.394 4.489 9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.887 3.589 11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.035 3.050 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.522 5.214 11.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.671 5.227 9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.301 5.908 10.355 1.00 0.00 H new ATOM 220 N LEU A 14 2.892 2.610 4.644 1.00 0.00 N ATOM 221 CA LEU A 14 3.771 2.347 3.508 1.00 0.00 C ATOM 222 C LEU A 14 4.309 3.663 2.959 1.00 0.00 C ATOM 223 O LEU A 14 5.512 3.804 2.804 1.00 0.00 O ATOM 224 CB LEU A 14 3.021 1.540 2.434 1.00 0.00 C ATOM 225 CG LEU A 14 3.866 1.065 1.237 1.00 0.00 C ATOM 226 CD1 LEU A 14 3.836 2.080 0.102 1.00 0.00 C ATOM 227 CD2 LEU A 14 5.324 0.701 1.543 1.00 0.00 C ATOM 0 H LEU A 14 1.913 2.369 4.488 1.00 0.00 H new ATOM 0 HA LEU A 14 4.622 1.747 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.575 0.666 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.201 2.150 2.056 1.00 0.00 H new ATOM 0 HG LEU A 14 3.383 0.133 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.442 1.716 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.808 2.221 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.236 3.031 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.819 0.381 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.839 1.572 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.352 -0.109 2.272 1.00 0.00 H new ATOM 239 N GLU A 15 3.417 4.599 2.667 1.00 0.00 N ATOM 240 CA GLU A 15 3.649 5.922 2.103 1.00 0.00 C ATOM 241 C GLU A 15 4.664 6.678 2.962 1.00 0.00 C ATOM 242 O GLU A 15 5.634 7.219 2.442 1.00 0.00 O ATOM 243 CB GLU A 15 2.243 6.561 2.030 1.00 0.00 C ATOM 244 CG GLU A 15 2.075 7.965 1.440 1.00 0.00 C ATOM 245 CD GLU A 15 0.595 8.417 1.438 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.183 8.054 2.358 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.211 9.158 0.499 1.00 0.00 O ATOM 0 H GLU A 15 2.424 4.438 2.834 1.00 0.00 H new ATOM 0 HA GLU A 15 4.096 5.923 1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.609 5.888 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.843 6.584 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.670 8.674 2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.460 7.979 0.420 1.00 0.00 H new ATOM 254 N ASP A 16 4.471 6.639 4.278 1.00 0.00 N ATOM 255 CA ASP A 16 5.369 7.167 5.304 1.00 0.00 C ATOM 256 C ASP A 16 6.769 6.574 5.173 1.00 0.00 C ATOM 257 O ASP A 16 7.740 7.325 5.131 1.00 0.00 O ATOM 258 CB ASP A 16 4.713 6.838 6.661 1.00 0.00 C ATOM 259 CG ASP A 16 5.585 6.803 7.921 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.564 6.022 7.973 1.00 0.00 O ATOM 261 OD2 ASP A 16 5.089 7.215 8.996 1.00 0.00 O ATOM 0 H ASP A 16 3.636 6.214 4.681 1.00 0.00 H new ATOM 0 HA ASP A 16 5.505 8.244 5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.922 7.568 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.233 5.864 6.566 1.00 0.00 H new ATOM 266 N MET A 17 6.883 5.245 5.091 1.00 0.00 N ATOM 267 CA MET A 17 8.186 4.601 5.089 1.00 0.00 C ATOM 268 C MET A 17 8.895 4.752 3.748 1.00 0.00 C ATOM 269 O MET A 17 10.096 5.003 3.740 1.00 0.00 O ATOM 270 CB MET A 17 8.073 3.109 5.419 1.00 0.00 C ATOM 271 CG MET A 17 7.722 2.833 6.886 1.00 0.00 C ATOM 272 SD MET A 17 7.802 1.090 7.438 1.00 0.00 S ATOM 273 CE MET A 17 7.753 0.160 5.872 1.00 0.00 C ATOM 0 H MET A 17 6.092 4.605 5.026 1.00 0.00 H new ATOM 0 HA MET A 17 8.773 5.102 5.859 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.312 2.660 4.781 1.00 0.00 H new ATOM 0 HB3 MET A 17 9.017 2.620 5.181 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.394 3.419 7.513 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.713 3.202 7.069 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.564 -0.893 6.080 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.957 0.554 5.240 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.709 0.262 5.358 1.00 0.00 H new ATOM 283 N VAL A 18 8.231 4.408 2.636 1.00 0.00 N ATOM 284 CA VAL A 18 8.846 4.501 1.316 1.00 0.00 C ATOM 285 C VAL A 18 9.211 5.967 1.006 1.00 0.00 C ATOM 286 O VAL A 18 10.142 6.233 0.249 1.00 0.00 O ATOM 287 CB VAL A 18 7.984 3.787 0.257 1.00 0.00 C ATOM 288 CG1 VAL A 18 6.813 4.609 -0.282 1.00 0.00 C ATOM 289 CG2 VAL A 18 8.838 3.143 -0.837 1.00 0.00 C ATOM 0 H VAL A 18 7.271 4.064 2.630 1.00 0.00 H new ATOM 0 HA VAL A 18 9.793 3.962 1.295 1.00 0.00 H new ATOM 0 HB VAL A 18 7.491 2.974 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.266 4.023 -1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.145 4.873 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.191 5.519 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.190 2.651 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.426 3.911 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.507 2.407 -0.391 1.00 0.00 H new ATOM 299 N GLY A 19 8.451 6.907 1.581 1.00 0.00 N ATOM 300 CA GLY A 19 8.596 8.340 1.438 1.00 0.00 C ATOM 301 C GLY A 19 7.921 8.853 0.161 1.00 0.00 C ATOM 302 O GLY A 19 7.378 8.077 -0.628 1.00 0.00 O ATOM 0 H GLY A 19 7.674 6.660 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.161 8.838 2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.655 8.599 1.419 1.00 0.00 H new ATOM 306 N PRO A 20 7.945 10.177 -0.074 1.00 0.00 N ATOM 307 CA PRO A 20 7.227 10.810 -1.179 1.00 0.00 C ATOM 308 C PRO A 20 7.870 10.677 -2.560 1.00 0.00 C ATOM 309 O PRO A 20 7.315 11.177 -3.536 1.00 0.00 O ATOM 310 CB PRO A 20 7.100 12.280 -0.760 1.00 0.00 C ATOM 311 CG PRO A 20 8.384 12.514 0.036 1.00 0.00 C ATOM 312 CD PRO A 20 8.571 11.185 0.770 1.00 0.00 C ATOM 0 HA PRO A 20 6.272 10.305 -1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.032 12.943 -1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.211 12.453 -0.154 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.229 12.739 -0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.284 13.349 0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.628 10.967 0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.107 11.213 1.756 1.00 0.00 H new ATOM 320 N GLN A 21 9.025 10.030 -2.650 1.00 0.00 N ATOM 321 CA GLN A 21 9.818 9.909 -3.875 1.00 0.00 C ATOM 322 C GLN A 21 10.373 8.479 -4.025 1.00 0.00 C ATOM 323 O GLN A 21 11.591 8.299 -4.052 1.00 0.00 O ATOM 324 CB GLN A 21 10.940 10.970 -3.861 1.00 0.00 C ATOM 325 CG GLN A 21 10.434 12.420 -3.924 1.00 0.00 C ATOM 326 CD GLN A 21 11.566 13.422 -3.714 1.00 0.00 C ATOM 327 OE1 GLN A 21 11.615 14.110 -2.705 1.00 0.00 O ATOM 328 NE2 GLN A 21 12.501 13.528 -4.646 1.00 0.00 N ATOM 0 H GLN A 21 9.452 9.560 -1.852 1.00 0.00 H new ATOM 0 HA GLN A 21 9.185 10.093 -4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.534 10.843 -2.956 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.605 10.791 -4.706 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.964 12.600 -4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.668 12.572 -3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.453 12.950 -5.485 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.270 14.188 -4.525 1.00 0.00 H new ATOM 337 N PRO A 22 9.522 7.440 -4.084 1.00 0.00 N ATOM 338 CA PRO A 22 9.977 6.066 -4.216 1.00 0.00 C ATOM 339 C PRO A 22 10.104 5.677 -5.699 1.00 0.00 C ATOM 340 O PRO A 22 9.931 6.500 -6.598 1.00 0.00 O ATOM 341 CB PRO A 22 8.876 5.289 -3.517 1.00 0.00 C ATOM 342 CG PRO A 22 7.630 5.989 -4.041 1.00 0.00 C ATOM 343 CD PRO A 22 8.062 7.458 -4.041 1.00 0.00 C ATOM 0 HA PRO A 22 10.963 5.880 -3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.892 4.231 -3.778 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.956 5.351 -2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.358 5.644 -5.039 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.766 5.818 -3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.651 7.987 -4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.703 7.972 -3.149 1.00 0.00 H new ATOM 351 N ASN A 23 10.349 4.394 -5.967 1.00 0.00 N ATOM 352 CA ASN A 23 10.373 3.805 -7.303 1.00 0.00 C ATOM 353 C ASN A 23 9.684 2.438 -7.229 1.00 0.00 C ATOM 354 O ASN A 23 9.502 1.895 -6.140 1.00 0.00 O ATOM 355 CB ASN A 23 11.807 3.686 -7.840 1.00 0.00 C ATOM 356 CG ASN A 23 12.601 2.667 -7.041 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.403 1.469 -7.194 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.453 3.120 -6.140 1.00 0.00 N ATOM 0 H ASN A 23 10.543 3.713 -5.232 1.00 0.00 H new ATOM 0 HA ASN A 23 9.840 4.450 -8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.784 3.393 -8.890 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.300 4.657 -7.791 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.966 2.466 -5.549 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.598 4.124 -6.035 1.00 0.00 H new ATOM 365 N GLU A 24 9.254 1.930 -8.385 1.00 0.00 N ATOM 366 CA GLU A 24 8.542 0.668 -8.596 1.00 0.00 C ATOM 367 C GLU A 24 9.070 -0.526 -7.777 1.00 0.00 C ATOM 368 O GLU A 24 8.268 -1.269 -7.204 1.00 0.00 O ATOM 369 CB GLU A 24 8.551 0.416 -10.116 1.00 0.00 C ATOM 370 CG GLU A 24 7.936 -0.903 -10.614 1.00 0.00 C ATOM 371 CD GLU A 24 6.407 -0.918 -10.551 1.00 0.00 C ATOM 372 OE1 GLU A 24 5.857 -1.175 -9.462 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.759 -0.739 -11.609 1.00 0.00 O ATOM 0 H GLU A 24 9.405 2.426 -9.263 1.00 0.00 H new ATOM 0 HA GLU A 24 7.524 0.761 -8.217 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.022 1.238 -10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.585 0.457 -10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.252 -1.078 -11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.326 -1.727 -10.016 1.00 0.00 H new ATOM 380 N ASP A 25 10.394 -0.691 -7.654 1.00 0.00 N ATOM 381 CA ASP A 25 10.969 -1.754 -6.826 1.00 0.00 C ATOM 382 C ASP A 25 10.758 -1.433 -5.362 1.00 0.00 C ATOM 383 O ASP A 25 10.153 -2.217 -4.634 1.00 0.00 O ATOM 384 CB ASP A 25 12.470 -1.976 -7.058 1.00 0.00 C ATOM 385 CG ASP A 25 13.004 -2.896 -5.950 1.00 0.00 C ATOM 386 OD1 ASP A 25 12.735 -4.113 -6.015 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.579 -2.351 -4.976 1.00 0.00 O ATOM 0 H ASP A 25 11.085 -0.101 -8.118 1.00 0.00 H new ATOM 0 HA ASP A 25 10.454 -2.670 -7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.640 -2.424 -8.037 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.000 -1.023 -7.047 1.00 0.00 H new ATOM 392 N THR A 26 11.233 -0.269 -4.926 1.00 0.00 N ATOM 393 CA THR A 26 11.206 0.088 -3.523 1.00 0.00 C ATOM 394 C THR A 26 9.773 0.065 -2.985 1.00 0.00 C ATOM 395 O THR A 26 9.575 -0.374 -1.855 1.00 0.00 O ATOM 396 CB THR A 26 11.965 1.405 -3.329 1.00 0.00 C ATOM 397 OG1 THR A 26 13.229 1.297 -3.967 1.00 0.00 O ATOM 398 CG2 THR A 26 12.223 1.739 -1.859 1.00 0.00 C ATOM 0 H THR A 26 11.642 0.442 -5.533 1.00 0.00 H new ATOM 0 HA THR A 26 11.728 -0.651 -2.916 1.00 0.00 H new ATOM 0 HB THR A 26 11.345 2.194 -3.753 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.839 1.971 -3.601 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.764 2.683 -1.790 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.272 1.826 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.817 0.946 -1.405 1.00 0.00 H new ATOM 406 N VAL A 27 8.759 0.443 -3.773 1.00 0.00 N ATOM 407 CA VAL A 27 7.374 0.299 -3.336 1.00 0.00 C ATOM 408 C VAL A 27 7.037 -1.193 -3.230 1.00 0.00 C ATOM 409 O VAL A 27 6.457 -1.605 -2.226 1.00 0.00 O ATOM 410 CB VAL A 27 6.377 1.036 -4.256 1.00 0.00 C ATOM 411 CG1 VAL A 27 4.952 0.836 -3.712 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.642 2.545 -4.338 1.00 0.00 C ATOM 0 H VAL A 27 8.873 0.845 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 27 7.275 0.769 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 27 6.497 0.617 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.241 1.353 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.716 -0.228 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.888 1.241 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.909 3.008 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.561 2.983 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.644 2.718 -4.730 1.00 0.00 H new ATOM 422 N THR A 28 7.387 -2.011 -4.223 1.00 0.00 N ATOM 423 CA THR A 28 7.126 -3.443 -4.236 1.00 0.00 C ATOM 424 C THR A 28 7.697 -4.124 -2.983 1.00 0.00 C ATOM 425 O THR A 28 6.951 -4.807 -2.261 1.00 0.00 O ATOM 426 CB THR A 28 7.638 -4.025 -5.574 1.00 0.00 C ATOM 427 OG1 THR A 28 6.814 -3.532 -6.611 1.00 0.00 O ATOM 428 CG2 THR A 28 7.654 -5.557 -5.653 1.00 0.00 C ATOM 0 H THR A 28 7.871 -1.684 -5.059 1.00 0.00 H new ATOM 0 HA THR A 28 6.055 -3.642 -4.187 1.00 0.00 H new ATOM 0 HB THR A 28 8.678 -3.710 -5.666 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.198 -2.704 -6.968 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.028 -5.867 -6.629 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.302 -5.955 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.643 -5.939 -5.514 1.00 0.00 H new ATOM 436 N GLN A 29 8.984 -3.925 -2.686 1.00 0.00 N ATOM 437 CA GLN A 29 9.612 -4.541 -1.524 1.00 0.00 C ATOM 438 C GLN A 29 9.053 -3.928 -0.235 1.00 0.00 C ATOM 439 O GLN A 29 8.579 -4.661 0.642 1.00 0.00 O ATOM 440 CB GLN A 29 11.152 -4.495 -1.598 1.00 0.00 C ATOM 441 CG GLN A 29 11.824 -3.139 -1.857 1.00 0.00 C ATOM 442 CD GLN A 29 13.290 -3.153 -1.435 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.588 -3.274 -0.250 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.219 -3.013 -2.363 1.00 0.00 N ATOM 0 H GLN A 29 9.610 -3.339 -3.239 1.00 0.00 H new ATOM 0 HA GLN A 29 9.360 -5.601 -1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.543 -4.887 -0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.468 -5.180 -2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.751 -2.892 -2.916 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.294 -2.359 -1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.951 -2.914 -3.342 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.205 -3.004 -2.101 1.00 0.00 H new ATOM 453 N ALA A 30 9.038 -2.594 -0.123 1.00 0.00 N ATOM 454 CA ALA A 30 8.634 -1.925 1.101 1.00 0.00 C ATOM 455 C ALA A 30 7.186 -2.242 1.440 1.00 0.00 C ATOM 456 O ALA A 30 6.893 -2.350 2.621 1.00 0.00 O ATOM 457 CB ALA A 30 8.840 -0.408 1.028 1.00 0.00 C ATOM 0 H ALA A 30 9.305 -1.960 -0.876 1.00 0.00 H new ATOM 0 HA ALA A 30 9.276 -2.306 1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.524 0.048 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.895 -0.192 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.248 0.000 0.209 1.00 0.00 H new ATOM 463 N ALA A 31 6.286 -2.404 0.463 1.00 0.00 N ATOM 464 CA ALA A 31 4.871 -2.680 0.687 1.00 0.00 C ATOM 465 C ALA A 31 4.644 -4.152 1.015 1.00 0.00 C ATOM 466 O ALA A 31 3.931 -4.458 1.965 1.00 0.00 O ATOM 467 CB ALA A 31 4.038 -2.294 -0.541 1.00 0.00 C ATOM 0 H ALA A 31 6.531 -2.345 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 31 4.552 -2.077 1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.987 -2.509 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.160 -1.230 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.375 -2.868 -1.404 1.00 0.00 H new ATOM 473 N SER A 32 5.192 -5.101 0.255 1.00 0.00 N ATOM 474 CA SER A 32 5.003 -6.515 0.602 1.00 0.00 C ATOM 475 C SER A 32 5.492 -6.811 2.020 1.00 0.00 C ATOM 476 O SER A 32 4.870 -7.625 2.722 1.00 0.00 O ATOM 477 CB SER A 32 5.624 -7.411 -0.475 1.00 0.00 C ATOM 478 OG SER A 32 6.971 -7.075 -0.718 1.00 0.00 O ATOM 0 H SER A 32 5.753 -4.929 -0.579 1.00 0.00 H new ATOM 0 HA SER A 32 3.938 -6.746 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.559 -8.453 -0.163 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.053 -7.319 -1.399 1.00 0.00 H new ATOM 0 HG SER A 32 7.012 -6.285 -1.297 1.00 0.00 H new ATOM 484 N GLN A 33 6.509 -6.081 2.480 1.00 0.00 N ATOM 485 CA GLN A 33 6.991 -6.150 3.842 1.00 0.00 C ATOM 486 C GLN A 33 6.300 -5.125 4.751 1.00 0.00 C ATOM 487 O GLN A 33 6.313 -5.350 5.956 1.00 0.00 O ATOM 488 CB GLN A 33 8.524 -6.206 3.893 1.00 0.00 C ATOM 489 CG GLN A 33 9.045 -7.535 3.293 1.00 0.00 C ATOM 490 CD GLN A 33 8.515 -8.773 4.033 1.00 0.00 C ATOM 491 OE1 GLN A 33 7.510 -9.381 3.650 1.00 0.00 O ATOM 492 NE2 GLN A 33 9.122 -9.127 5.155 1.00 0.00 N ATOM 0 H GLN A 33 7.023 -5.418 1.900 1.00 0.00 H new ATOM 0 HA GLN A 33 6.690 -7.100 4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.942 -5.364 3.341 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.862 -6.110 4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.755 -7.593 2.244 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.135 -7.539 3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.951 -8.622 5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.760 -9.905 5.707 1.00 0.00 H new ATOM 501 N VAL A 34 5.646 -4.059 4.255 1.00 0.00 N ATOM 502 CA VAL A 34 4.866 -3.136 5.098 1.00 0.00 C ATOM 503 C VAL A 34 3.810 -3.991 5.777 1.00 0.00 C ATOM 504 O VAL A 34 3.564 -3.869 6.971 1.00 0.00 O ATOM 505 CB VAL A 34 4.152 -1.974 4.356 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.789 -2.173 3.649 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.986 -0.797 5.298 1.00 0.00 C ATOM 0 H VAL A 34 5.643 -3.815 3.265 1.00 0.00 H new ATOM 0 HA VAL A 34 5.566 -2.643 5.773 1.00 0.00 H new ATOM 0 HB VAL A 34 4.841 -1.843 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.473 -1.233 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.888 -2.934 2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.044 -2.492 4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.485 0.018 4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.388 -1.100 6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.966 -0.462 5.638 1.00 0.00 H new ATOM 517 N CYS A 35 3.262 -4.934 5.011 1.00 0.00 N ATOM 518 CA CYS A 35 2.237 -5.827 5.454 1.00 0.00 C ATOM 519 C CYS A 35 2.842 -6.752 6.477 1.00 0.00 C ATOM 520 O CYS A 35 2.249 -6.964 7.524 1.00 0.00 O ATOM 521 CB CYS A 35 1.781 -6.670 4.266 1.00 0.00 C ATOM 522 SG CYS A 35 1.129 -5.779 2.851 1.00 0.00 S ATOM 0 H CYS A 35 3.539 -5.087 4.041 1.00 0.00 H new ATOM 0 HA CYS A 35 1.397 -5.272 5.873 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.626 -7.271 3.930 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.015 -7.363 4.614 1.00 0.00 H new ATOM 527 N ASP A 36 3.987 -7.347 6.145 1.00 0.00 N ATOM 528 CA ASP A 36 4.675 -8.224 7.086 1.00 0.00 C ATOM 529 C ASP A 36 4.895 -7.561 8.465 1.00 0.00 C ATOM 530 O ASP A 36 4.635 -8.148 9.514 1.00 0.00 O ATOM 531 CB ASP A 36 5.978 -8.731 6.489 1.00 0.00 C ATOM 532 CG ASP A 36 6.333 -10.003 7.234 1.00 0.00 C ATOM 533 OD1 ASP A 36 5.537 -10.954 7.057 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.297 -10.066 8.012 1.00 0.00 O ATOM 0 H ASP A 36 4.451 -7.239 5.243 1.00 0.00 H new ATOM 0 HA ASP A 36 4.026 -9.081 7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.865 -8.926 5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.768 -7.987 6.595 1.00 0.00 H new ATOM 539 N LYS A 37 5.318 -6.292 8.432 1.00 0.00 N ATOM 540 CA LYS A 37 5.726 -5.421 9.539 1.00 0.00 C ATOM 541 C LYS A 37 4.494 -4.972 10.334 1.00 0.00 C ATOM 542 O LYS A 37 4.575 -4.813 11.562 1.00 0.00 O ATOM 543 CB LYS A 37 6.517 -4.258 8.897 1.00 0.00 C ATOM 544 CG LYS A 37 7.393 -3.364 9.790 1.00 0.00 C ATOM 545 CD LYS A 37 8.205 -2.416 8.875 1.00 0.00 C ATOM 546 CE LYS A 37 9.263 -1.585 9.621 1.00 0.00 C ATOM 547 NZ LYS A 37 10.074 -0.739 8.706 1.00 0.00 N ATOM 0 H LYS A 37 5.390 -5.802 7.541 1.00 0.00 H new ATOM 0 HA LYS A 37 6.362 -5.925 10.267 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.161 -4.684 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.799 -3.613 8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.773 -2.790 10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.063 -3.973 10.397 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.699 -3.007 8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.517 -1.740 8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.769 -0.949 10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.923 -2.255 10.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.651 -0.078 9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.697 -1.345 8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.442 -0.202 8.079 1.00 0.00 H new ATOM 561 N LEU A 38 3.382 -4.690 9.651 1.00 0.00 N ATOM 562 CA LEU A 38 2.074 -4.378 10.216 1.00 0.00 C ATOM 563 C LEU A 38 1.474 -5.713 10.683 1.00 0.00 C ATOM 564 O LEU A 38 0.684 -6.338 9.974 1.00 0.00 O ATOM 565 CB LEU A 38 1.154 -3.713 9.161 1.00 0.00 C ATOM 566 CG LEU A 38 1.500 -2.266 8.743 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.761 -1.918 7.443 1.00 0.00 C ATOM 568 CD2 LEU A 38 1.107 -1.228 9.802 1.00 0.00 C ATOM 0 H LEU A 38 3.374 -4.673 8.631 1.00 0.00 H new ATOM 0 HA LEU A 38 2.168 -3.672 11.041 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.160 -4.335 8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.135 -3.720 9.547 1.00 0.00 H new ATOM 0 HG LEU A 38 2.582 -2.229 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.005 -0.897 7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.067 -2.606 6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.314 -2.003 7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.375 -0.231 9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.032 -1.275 9.976 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.635 -1.439 10.732 1.00 0.00 H new ATOM 580 N LYS A 39 1.771 -6.142 11.915 1.00 0.00 N ATOM 581 CA LYS A 39 1.273 -7.438 12.394 1.00 0.00 C ATOM 582 C LYS A 39 -0.194 -7.273 12.784 1.00 0.00 C ATOM 583 O LYS A 39 -0.683 -6.151 12.906 1.00 0.00 O ATOM 584 CB LYS A 39 2.153 -8.055 13.502 1.00 0.00 C ATOM 585 CG LYS A 39 2.520 -7.097 14.651 1.00 0.00 C ATOM 586 CD LYS A 39 3.932 -6.536 14.407 1.00 0.00 C ATOM 587 CE LYS A 39 4.121 -5.126 14.973 1.00 0.00 C ATOM 588 NZ LYS A 39 5.291 -4.467 14.351 1.00 0.00 N ATOM 0 H LYS A 39 2.340 -5.625 12.586 1.00 0.00 H new ATOM 0 HA LYS A 39 1.337 -8.172 11.590 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.633 -8.917 13.920 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.073 -8.426 13.050 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.797 -6.283 14.708 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.484 -7.623 15.605 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.666 -7.204 14.858 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.131 -6.521 13.335 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.224 -4.533 14.793 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.257 -5.177 16.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.343 -3.479 14.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.159 -4.967 14.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.193 -4.491 13.316 1.00 0.00 H new ATOM 602 N ILE A 40 -0.899 -8.402 12.918 1.00 0.00 N ATOM 603 CA ILE A 40 -2.345 -8.532 13.140 1.00 0.00 C ATOM 604 C ILE A 40 -2.979 -8.307 11.762 1.00 0.00 C ATOM 605 O ILE A 40 -3.561 -9.220 11.184 1.00 0.00 O ATOM 606 CB ILE A 40 -2.933 -7.621 14.255 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.208 -7.779 15.612 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.448 -7.858 14.409 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.204 -9.197 16.199 1.00 0.00 C ATOM 0 H ILE A 40 -0.443 -9.313 12.871 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.577 -9.519 13.540 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.766 -6.592 13.937 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.175 -7.451 15.492 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.674 -7.108 16.333 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.840 -7.211 15.194 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.949 -7.631 13.468 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.628 -8.900 14.674 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.670 -9.196 17.150 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.230 -9.527 16.359 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.708 -9.876 15.506 1.00 0.00 H new ATOM 621 N LEU A 41 -2.711 -7.157 11.141 1.00 0.00 N ATOM 622 CA LEU A 41 -3.238 -6.767 9.836 1.00 0.00 C ATOM 623 C LEU A 41 -2.397 -7.364 8.682 1.00 0.00 C ATOM 624 O LEU A 41 -2.641 -7.083 7.506 1.00 0.00 O ATOM 625 CB LEU A 41 -3.273 -5.226 9.823 1.00 0.00 C ATOM 626 CG LEU A 41 -4.225 -4.599 8.793 1.00 0.00 C ATOM 627 CD1 LEU A 41 -5.694 -4.962 9.051 1.00 0.00 C ATOM 628 CD2 LEU A 41 -4.083 -3.073 8.848 1.00 0.00 C ATOM 0 H LEU A 41 -2.100 -6.449 11.548 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.241 -7.162 9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.558 -4.877 10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.265 -4.858 9.633 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.951 -4.992 7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.323 -4.493 8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.815 -6.044 9.004 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.988 -4.607 10.039 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.755 -2.619 8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.338 -2.720 9.847 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.055 -2.795 8.616 1.00 0.00 H new ATOM 640 N ARG A 42 -1.478 -8.281 9.013 1.00 0.00 N ATOM 641 CA ARG A 42 -0.477 -8.916 8.153 1.00 0.00 C ATOM 642 C ARG A 42 -1.186 -9.623 7.009 1.00 0.00 C ATOM 643 O ARG A 42 -0.883 -9.360 5.847 1.00 0.00 O ATOM 644 CB ARG A 42 0.349 -9.884 9.043 1.00 0.00 C ATOM 645 CG ARG A 42 1.742 -10.285 8.522 1.00 0.00 C ATOM 646 CD ARG A 42 2.443 -11.246 9.509 1.00 0.00 C ATOM 647 NE ARG A 42 3.867 -11.488 9.194 1.00 0.00 N ATOM 648 CZ ARG A 42 4.767 -12.171 9.919 1.00 0.00 C ATOM 649 NH1 ARG A 42 4.380 -12.896 10.971 1.00 0.00 N ATOM 650 NH2 ARG A 42 6.054 -12.134 9.593 1.00 0.00 N ATOM 0 H ARG A 42 -1.412 -8.625 9.971 1.00 0.00 H new ATOM 0 HA ARG A 42 0.204 -8.194 7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.472 -9.423 10.023 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.234 -10.793 9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.646 -10.764 7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.353 -9.393 8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.368 -10.836 10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.914 -12.199 9.512 1.00 0.00 H new ATOM 0 HE ARG A 42 4.207 -11.087 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.394 -12.934 11.229 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.070 -13.412 11.517 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.361 -11.585 8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.735 -12.654 10.146 1.00 0.00 H new ATOM 664 N GLY A 43 -2.149 -10.490 7.329 1.00 0.00 N ATOM 665 CA GLY A 43 -2.946 -11.208 6.347 1.00 0.00 C ATOM 666 C GLY A 43 -3.768 -10.297 5.435 1.00 0.00 C ATOM 667 O GLY A 43 -3.971 -10.645 4.273 1.00 0.00 O ATOM 0 H GLY A 43 -2.396 -10.712 8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.285 -11.820 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.619 -11.889 6.867 1.00 0.00 H new ATOM 671 N LEU A 44 -4.264 -9.156 5.933 1.00 0.00 N ATOM 672 CA LEU A 44 -5.162 -8.287 5.179 1.00 0.00 C ATOM 673 C LEU A 44 -4.330 -7.623 4.087 1.00 0.00 C ATOM 674 O LEU A 44 -4.555 -7.861 2.902 1.00 0.00 O ATOM 675 CB LEU A 44 -5.846 -7.299 6.150 1.00 0.00 C ATOM 676 CG LEU A 44 -7.126 -6.598 5.657 1.00 0.00 C ATOM 677 CD1 LEU A 44 -6.899 -5.732 4.419 1.00 0.00 C ATOM 678 CD2 LEU A 44 -8.262 -7.594 5.398 1.00 0.00 C ATOM 0 H LEU A 44 -4.051 -8.814 6.870 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.974 -8.829 4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.088 -7.839 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.121 -6.530 6.415 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.420 -5.934 6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.839 -5.267 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.166 -4.958 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.529 -6.353 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.145 -7.057 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.952 -8.310 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.498 -8.124 6.320 1.00 0.00 H new ATOM 690 N CYS A 45 -3.315 -6.862 4.500 1.00 0.00 N ATOM 691 CA CYS A 45 -2.329 -6.245 3.650 1.00 0.00 C ATOM 692 C CYS A 45 -1.716 -7.255 2.676 1.00 0.00 C ATOM 693 O CYS A 45 -1.802 -7.042 1.470 1.00 0.00 O ATOM 694 CB CYS A 45 -1.313 -5.588 4.585 1.00 0.00 C ATOM 695 SG CYS A 45 -0.118 -4.503 3.787 1.00 0.00 S ATOM 0 H CYS A 45 -3.162 -6.657 5.487 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.767 -5.488 3.000 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.855 -5.014 5.337 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.770 -6.372 5.113 1.00 0.00 H new ATOM 700 N LYS A 46 -1.130 -8.366 3.150 1.00 0.00 N ATOM 701 CA LYS A 46 -0.491 -9.322 2.238 1.00 0.00 C ATOM 702 C LYS A 46 -1.488 -9.832 1.192 1.00 0.00 C ATOM 703 O LYS A 46 -1.094 -9.972 0.037 1.00 0.00 O ATOM 704 CB LYS A 46 0.265 -10.461 2.953 1.00 0.00 C ATOM 705 CG LYS A 46 1.636 -9.990 3.489 1.00 0.00 C ATOM 706 CD LYS A 46 2.488 -11.129 4.057 1.00 0.00 C ATOM 707 CE LYS A 46 3.912 -10.726 4.509 1.00 0.00 C ATOM 708 NZ LYS A 46 4.852 -10.344 3.420 1.00 0.00 N ATOM 0 H LYS A 46 -1.086 -8.619 4.137 1.00 0.00 H new ATOM 0 HA LYS A 46 0.289 -8.772 1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.339 -10.836 3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.410 -11.291 2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.185 -9.502 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.477 -9.242 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.964 -11.564 4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.572 -11.910 3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.830 -9.889 5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.346 -11.558 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.819 -10.291 3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.815 -11.057 2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.579 -9.417 3.035 1.00 0.00 H new ATOM 722 N LYS A 47 -2.759 -10.090 1.536 1.00 0.00 N ATOM 723 CA LYS A 47 -3.743 -10.516 0.537 1.00 0.00 C ATOM 724 C LYS A 47 -4.026 -9.415 -0.494 1.00 0.00 C ATOM 725 O LYS A 47 -4.150 -9.749 -1.672 1.00 0.00 O ATOM 726 CB LYS A 47 -5.017 -11.044 1.221 1.00 0.00 C ATOM 727 CG LYS A 47 -5.977 -11.689 0.203 1.00 0.00 C ATOM 728 CD LYS A 47 -7.008 -12.641 0.831 1.00 0.00 C ATOM 729 CE LYS A 47 -8.011 -11.928 1.749 1.00 0.00 C ATOM 730 NZ LYS A 47 -9.040 -12.860 2.274 1.00 0.00 N ATOM 0 H LYS A 47 -3.123 -10.012 2.486 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.318 -11.345 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.746 -11.776 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.523 -10.225 1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.505 -10.900 -0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.392 -12.239 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.552 -13.152 0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.484 -13.407 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.478 -11.469 2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.498 -11.122 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.698 -12.340 2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.566 -13.279 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.578 -13.615 2.821 1.00 0.00 H new ATOM 744 N ILE A 48 -4.120 -8.141 -0.089 1.00 0.00 N ATOM 745 CA ILE A 48 -4.265 -7.019 -1.024 1.00 0.00 C ATOM 746 C ILE A 48 -3.063 -7.043 -1.972 1.00 0.00 C ATOM 747 O ILE A 48 -3.244 -7.170 -3.180 1.00 0.00 O ATOM 748 CB ILE A 48 -4.435 -5.664 -0.283 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.799 -5.626 0.446 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.334 -4.459 -1.244 1.00 0.00 C ATOM 751 CD1 ILE A 48 -5.983 -4.415 1.372 1.00 0.00 C ATOM 0 H ILE A 48 -4.098 -7.861 0.892 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.179 -7.128 -1.608 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.622 -5.586 0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.596 -5.625 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.911 -6.538 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.459 -3.534 -0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.357 -4.460 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.114 -4.531 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.964 -4.464 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.210 -4.424 2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.906 -3.497 0.790 1.00 0.00 H new ATOM 763 N MET A 49 -1.843 -6.985 -1.435 1.00 0.00 N ATOM 764 CA MET A 49 -0.611 -6.910 -2.213 1.00 0.00 C ATOM 765 C MET A 49 -0.478 -8.116 -3.148 1.00 0.00 C ATOM 766 O MET A 49 -0.099 -7.924 -4.295 1.00 0.00 O ATOM 767 CB MET A 49 0.584 -6.768 -1.254 1.00 0.00 C ATOM 768 CG MET A 49 0.799 -5.323 -0.766 1.00 0.00 C ATOM 769 SD MET A 49 -0.617 -4.454 -0.027 1.00 0.00 S ATOM 770 CE MET A 49 0.205 -2.957 0.573 1.00 0.00 C ATOM 0 H MET A 49 -1.684 -6.989 -0.428 1.00 0.00 H new ATOM 0 HA MET A 49 -0.633 -6.030 -2.856 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.429 -7.417 -0.392 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.488 -7.114 -1.756 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.604 -5.335 -0.032 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.148 -4.733 -1.613 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.545 -2.234 0.895 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.851 -3.209 1.414 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.804 -2.525 -0.228 1.00 0.00 H new ATOM 780 N ARG A 50 -0.872 -9.329 -2.739 1.00 0.00 N ATOM 781 CA ARG A 50 -0.877 -10.505 -3.618 1.00 0.00 C ATOM 782 C ARG A 50 -1.655 -10.230 -4.901 1.00 0.00 C ATOM 783 O ARG A 50 -1.193 -10.577 -5.982 1.00 0.00 O ATOM 784 CB ARG A 50 -1.509 -11.710 -2.880 1.00 0.00 C ATOM 785 CG ARG A 50 -1.253 -13.124 -3.447 1.00 0.00 C ATOM 786 CD ARG A 50 -1.574 -13.435 -4.923 1.00 0.00 C ATOM 787 NE ARG A 50 -2.937 -13.061 -5.368 1.00 0.00 N ATOM 788 CZ ARG A 50 -3.376 -13.168 -6.636 1.00 0.00 C ATOM 789 NH1 ARG A 50 -2.613 -13.746 -7.564 1.00 0.00 N ATOM 790 NH2 ARG A 50 -4.574 -12.701 -6.991 1.00 0.00 N ATOM 0 H ARG A 50 -1.196 -9.522 -1.791 1.00 0.00 H new ATOM 0 HA ARG A 50 0.155 -10.734 -3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.154 -11.694 -1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.587 -11.553 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.198 -13.349 -3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.822 -13.825 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.850 -12.917 -5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.436 -14.503 -5.090 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.585 -12.699 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.693 -14.109 -7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.949 -13.825 -8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.173 -12.254 -6.297 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.891 -12.791 -7.956 1.00 0.00 H new ATOM 804 N SER A 51 -2.855 -9.661 -4.782 1.00 0.00 N ATOM 805 CA SER A 51 -3.735 -9.493 -5.924 1.00 0.00 C ATOM 806 C SER A 51 -3.608 -8.135 -6.618 1.00 0.00 C ATOM 807 O SER A 51 -4.083 -8.014 -7.745 1.00 0.00 O ATOM 808 CB SER A 51 -5.161 -9.741 -5.418 1.00 0.00 C ATOM 809 OG SER A 51 -6.019 -10.087 -6.483 1.00 0.00 O ATOM 0 H SER A 51 -3.234 -9.310 -3.902 1.00 0.00 H new ATOM 0 HA SER A 51 -3.454 -10.206 -6.699 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.154 -10.540 -4.676 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.535 -8.847 -4.920 1.00 0.00 H new ATOM 0 HG SER A 51 -5.773 -9.575 -7.281 1.00 0.00 H new ATOM 815 N PHE A 52 -2.976 -7.134 -6.002 1.00 0.00 N ATOM 816 CA PHE A 52 -2.929 -5.774 -6.529 1.00 0.00 C ATOM 817 C PHE A 52 -1.552 -5.140 -6.306 1.00 0.00 C ATOM 818 O PHE A 52 -1.472 -3.936 -6.076 1.00 0.00 O ATOM 819 CB PHE A 52 -4.043 -4.958 -5.836 1.00 0.00 C ATOM 820 CG PHE A 52 -5.439 -5.555 -5.897 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.105 -5.679 -7.132 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.078 -5.984 -4.717 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.400 -6.224 -7.185 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.376 -6.521 -4.769 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.039 -6.637 -6.003 1.00 0.00 C ATOM 0 H PHE A 52 -2.480 -7.248 -5.118 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.093 -5.785 -7.607 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.771 -4.825 -4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.073 -3.966 -6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.620 -5.355 -8.041 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.568 -5.900 -3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.904 -6.325 -8.135 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.864 -6.844 -3.861 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.039 -7.043 -6.043 1.00 0.00 H new ATOM 835 N LEU A 53 -0.458 -5.896 -6.458 1.00 0.00 N ATOM 836 CA LEU A 53 0.881 -5.409 -6.127 1.00 0.00 C ATOM 837 C LEU A 53 1.210 -4.152 -6.940 1.00 0.00 C ATOM 838 O LEU A 53 1.320 -3.067 -6.370 1.00 0.00 O ATOM 839 CB LEU A 53 1.929 -6.523 -6.351 1.00 0.00 C ATOM 840 CG LEU A 53 3.251 -6.338 -5.575 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.826 -4.925 -5.606 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.079 -6.729 -4.102 1.00 0.00 C ATOM 0 H LEU A 53 -0.478 -6.853 -6.811 1.00 0.00 H new ATOM 0 HA LEU A 53 0.908 -5.136 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.488 -7.479 -6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.155 -6.580 -7.416 1.00 0.00 H new ATOM 0 HG LEU A 53 3.952 -6.992 -6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.753 -4.897 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.028 -4.637 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.109 -4.231 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.024 -6.590 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.314 -6.101 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.777 -7.774 -4.036 1.00 0.00 H new ATOM 854 N ARG A 54 1.314 -4.256 -8.273 1.00 0.00 N ATOM 855 CA ARG A 54 1.740 -3.099 -9.060 1.00 0.00 C ATOM 856 C ARG A 54 0.668 -1.997 -9.008 1.00 0.00 C ATOM 857 O ARG A 54 0.990 -0.846 -9.281 1.00 0.00 O ATOM 858 CB ARG A 54 2.117 -3.496 -10.505 1.00 0.00 C ATOM 859 CG ARG A 54 3.047 -2.449 -11.159 1.00 0.00 C ATOM 860 CD ARG A 54 3.115 -2.483 -12.693 1.00 0.00 C ATOM 861 NE ARG A 54 3.804 -3.669 -13.245 1.00 0.00 N ATOM 862 CZ ARG A 54 5.085 -3.715 -13.652 1.00 0.00 C ATOM 863 NH1 ARG A 54 5.932 -2.726 -13.400 1.00 0.00 N ATOM 864 NH2 ARG A 54 5.522 -4.771 -14.336 1.00 0.00 N ATOM 0 H ARG A 54 1.116 -5.100 -8.810 1.00 0.00 H new ATOM 0 HA ARG A 54 2.649 -2.694 -8.616 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.610 -4.468 -10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.211 -3.602 -11.102 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.719 -1.456 -10.850 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.054 -2.589 -10.766 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.101 -2.449 -13.091 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.625 -1.585 -13.042 1.00 0.00 H new ATOM 0 HE ARG A 54 3.260 -4.528 -13.324 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.617 -1.904 -12.885 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.898 -2.788 -13.721 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.886 -5.540 -14.549 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.493 -4.811 -14.647 1.00 0.00 H new ATOM 878 N ARG A 55 -0.602 -2.284 -8.646 1.00 0.00 N ATOM 879 CA ARG A 55 -1.570 -1.219 -8.467 1.00 0.00 C ATOM 880 C ARG A 55 -1.085 -0.355 -7.290 1.00 0.00 C ATOM 881 O ARG A 55 -0.969 0.855 -7.430 1.00 0.00 O ATOM 882 CB ARG A 55 -3.008 -1.731 -8.223 1.00 0.00 C ATOM 883 CG ARG A 55 -3.900 -2.171 -9.411 1.00 0.00 C ATOM 884 CD ARG A 55 -4.550 -1.086 -10.318 1.00 0.00 C ATOM 885 NE ARG A 55 -5.980 -0.799 -10.008 1.00 0.00 N ATOM 886 CZ ARG A 55 -6.686 0.326 -10.271 1.00 0.00 C ATOM 887 NH1 ARG A 55 -6.154 1.379 -10.874 1.00 0.00 N ATOM 888 NH2 ARG A 55 -7.954 0.442 -9.891 1.00 0.00 N ATOM 0 H ARG A 55 -0.959 -3.225 -8.479 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.630 -0.639 -9.388 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.936 -2.580 -7.544 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.544 -0.944 -7.693 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.298 -2.816 -10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.705 -2.785 -9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.978 -0.162 -10.225 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.473 -1.405 -11.357 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.492 -1.546 -9.538 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.175 1.362 -11.160 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.723 2.206 -11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.409 -0.323 -9.393 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.472 1.296 -10.097 1.00 0.00 H new ATOM 902 N ILE A 56 -0.770 -0.951 -6.140 1.00 0.00 N ATOM 903 CA ILE A 56 -0.287 -0.194 -4.984 1.00 0.00 C ATOM 904 C ILE A 56 0.966 0.604 -5.353 1.00 0.00 C ATOM 905 O ILE A 56 1.116 1.720 -4.867 1.00 0.00 O ATOM 906 CB ILE A 56 -0.098 -1.158 -3.787 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.424 -1.460 -3.045 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.934 -0.662 -2.757 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.702 -1.522 -3.893 1.00 0.00 C ATOM 0 H ILE A 56 -0.841 -1.956 -5.984 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.021 0.550 -4.674 1.00 0.00 H new ATOM 0 HB ILE A 56 0.278 -2.073 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.313 -2.414 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.564 -0.698 -2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.016 -1.386 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.904 -0.548 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.614 0.299 -2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.555 -1.741 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.857 -0.563 -4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.603 -2.306 -4.644 1.00 0.00 H new ATOM 921 N SER A 57 1.790 0.111 -6.274 1.00 0.00 N ATOM 922 CA SER A 57 2.953 0.844 -6.724 1.00 0.00 C ATOM 923 C SER A 57 2.529 2.073 -7.527 1.00 0.00 C ATOM 924 O SER A 57 2.837 3.184 -7.100 1.00 0.00 O ATOM 925 CB SER A 57 3.851 -0.117 -7.493 1.00 0.00 C ATOM 926 OG SER A 57 5.146 0.392 -7.604 1.00 0.00 O ATOM 0 H SER A 57 1.666 -0.798 -6.720 1.00 0.00 H new ATOM 0 HA SER A 57 3.528 1.233 -5.884 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.877 -1.081 -6.986 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.438 -0.291 -8.487 1.00 0.00 H new ATOM 0 HG SER A 57 5.565 0.045 -8.419 1.00 0.00 H new ATOM 932 N TRP A 58 1.755 1.912 -8.612 1.00 0.00 N ATOM 933 CA TRP A 58 1.178 3.019 -9.385 1.00 0.00 C ATOM 934 C TRP A 58 0.583 4.065 -8.438 1.00 0.00 C ATOM 935 O TRP A 58 0.803 5.260 -8.623 1.00 0.00 O ATOM 936 CB TRP A 58 0.158 2.532 -10.439 1.00 0.00 C ATOM 937 CG TRP A 58 -1.101 3.354 -10.549 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.211 4.603 -11.052 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.404 3.068 -9.974 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.476 5.103 -10.801 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.241 4.209 -10.079 1.00 0.00 C ATOM 942 CE3 TRP A 58 -2.941 1.959 -9.314 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.518 4.238 -9.489 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.193 1.970 -8.713 1.00 0.00 C ATOM 945 CH2 TRP A 58 -4.976 3.121 -8.762 1.00 0.00 C ATOM 0 H TRP A 58 1.510 0.993 -8.981 1.00 0.00 H new ATOM 0 HA TRP A 58 1.980 3.491 -9.952 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.647 2.516 -11.413 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.119 1.504 -10.204 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.427 5.133 -11.573 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.803 6.018 -11.111 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.356 1.052 -9.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.144 5.112 -9.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.559 1.088 -8.209 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -5.925 3.157 -8.248 1.00 0.00 H new ATOM 956 N ASP A 59 -0.215 3.622 -7.464 1.00 0.00 N ATOM 957 CA ASP A 59 -0.843 4.478 -6.471 1.00 0.00 C ATOM 958 C ASP A 59 0.168 5.413 -5.815 1.00 0.00 C ATOM 959 O ASP A 59 -0.060 6.625 -5.812 1.00 0.00 O ATOM 960 CB ASP A 59 -1.587 3.645 -5.413 1.00 0.00 C ATOM 961 CG ASP A 59 -2.950 3.200 -5.905 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.772 4.053 -6.296 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.351 1.909 -5.875 1.00 0.00 O ATOM 0 H ASP A 59 -0.444 2.635 -7.346 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.574 5.097 -6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.991 2.770 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.703 4.233 -4.503 1.00 0.00 H new ATOM 969 N ILE A 60 1.231 4.874 -5.208 1.00 0.00 N ATOM 970 CA ILE A 60 2.270 5.704 -4.604 1.00 0.00 C ATOM 971 C ILE A 60 2.944 6.574 -5.674 1.00 0.00 C ATOM 972 O ILE A 60 3.117 7.768 -5.463 1.00 0.00 O ATOM 973 CB ILE A 60 3.313 4.892 -3.809 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.732 3.863 -2.819 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.150 5.879 -2.973 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.497 4.282 -2.019 1.00 0.00 C ATOM 0 H ILE A 60 1.391 3.870 -5.124 1.00 0.00 H new ATOM 0 HA ILE A 60 1.777 6.349 -3.877 1.00 0.00 H new ATOM 0 HB ILE A 60 3.881 4.336 -4.555 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.483 2.961 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.517 3.594 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.896 5.329 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.650 6.585 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.497 6.422 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.194 3.466 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.733 5.161 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.683 4.518 -2.704 1.00 0.00 H new ATOM 988 N LEU A 61 3.342 5.979 -6.806 1.00 0.00 N ATOM 989 CA LEU A 61 4.108 6.631 -7.873 1.00 0.00 C ATOM 990 C LEU A 61 3.358 7.820 -8.487 1.00 0.00 C ATOM 991 O LEU A 61 3.989 8.772 -8.927 1.00 0.00 O ATOM 992 CB LEU A 61 4.478 5.611 -8.970 1.00 0.00 C ATOM 993 CG LEU A 61 5.454 4.494 -8.534 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.415 3.341 -9.545 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.906 4.968 -8.412 1.00 0.00 C ATOM 0 H LEU A 61 3.133 5.002 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 61 5.019 7.021 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.562 5.147 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.920 6.149 -9.809 1.00 0.00 H new ATOM 0 HG LEU A 61 5.121 4.173 -7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.105 2.558 -9.231 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.405 2.935 -9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.707 3.709 -10.528 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.536 4.134 -8.103 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.248 5.343 -9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.968 5.764 -7.670 1.00 0.00 H new ATOM 1007 N THR A 62 2.022 7.797 -8.510 1.00 0.00 N ATOM 1008 CA THR A 62 1.189 8.919 -8.955 1.00 0.00 C ATOM 1009 C THR A 62 0.821 9.847 -7.784 1.00 0.00 C ATOM 1010 O THR A 62 -0.117 10.639 -7.884 1.00 0.00 O ATOM 1011 CB THR A 62 -0.030 8.410 -9.754 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.779 7.404 -9.087 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.413 7.844 -11.108 1.00 0.00 C ATOM 0 H THR A 62 1.480 6.985 -8.215 1.00 0.00 H new ATOM 0 HA THR A 62 1.768 9.537 -9.642 1.00 0.00 H new ATOM 0 HB THR A 62 -0.673 9.282 -9.875 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.236 6.592 -9.005 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.459 7.490 -11.657 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.912 8.624 -11.683 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.102 7.015 -10.948 1.00 0.00 H new ATOM 1021 N GLY A 63 1.531 9.720 -6.658 1.00 0.00 N ATOM 1022 CA GLY A 63 1.324 10.379 -5.380 1.00 0.00 C ATOM 1023 C GLY A 63 -0.148 10.499 -5.021 1.00 0.00 C ATOM 1024 O GLY A 63 -0.559 11.515 -4.451 1.00 0.00 O ATOM 0 H GLY A 63 2.336 9.095 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.841 9.822 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.770 11.373 -5.411 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.926 9.416 -5.129 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.361 9.539 -4.923 1.00 0.00 C ATOM 1030 C LYS A 64 -2.568 9.349 -3.430 1.00 0.00 C ATOM 1031 O LYS A 64 -1.793 8.687 -2.745 1.00 0.00 O ATOM 1032 CB LYS A 64 -3.064 8.471 -5.785 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.592 8.638 -5.835 1.00 0.00 C ATOM 1034 CD LYS A 64 -5.311 7.627 -6.750 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.903 7.758 -8.231 1.00 0.00 C ATOM 1036 NZ LYS A 64 -6.041 7.540 -9.161 1.00 0.00 N ATOM 0 H LYS A 64 -0.595 8.477 -5.351 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.780 10.499 -5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.667 8.514 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.826 7.483 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.989 8.542 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.825 9.647 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.093 6.616 -6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.388 7.768 -6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.484 8.750 -8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.116 7.037 -8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.677 7.319 -10.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.621 6.747 -8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.623 8.401 -9.205 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.511 10.088 -2.857 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.757 9.990 -1.416 1.00 0.00 C ATOM 1052 C LYS A 65 -4.440 8.663 -1.073 1.00 0.00 C ATOM 1053 O LYS A 65 -5.234 8.185 -1.880 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.446 11.276 -0.927 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.492 12.473 -0.664 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.118 12.546 -1.377 1.00 0.00 C ATOM 1057 CE LYS A 65 -1.022 11.739 -0.649 1.00 0.00 C ATOM 1058 NZ LYS A 65 -0.226 10.843 -1.519 1.00 0.00 N ATOM 0 H LYS A 65 -4.109 10.750 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.827 9.944 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.187 11.577 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.987 11.053 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.037 13.382 -0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.302 12.505 0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.222 12.172 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.807 13.588 -1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.346 12.436 -0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.490 11.141 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.401 10.257 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.865 10.229 -2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.346 11.413 -2.174 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.354 8.181 0.177 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.845 6.871 0.606 1.00 0.00 C ATOM 1074 C PRO A 66 -6.341 6.713 0.392 1.00 0.00 C ATOM 1075 O PRO A 66 -6.792 5.704 -0.140 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.456 6.732 2.085 1.00 0.00 C ATOM 1077 CG PRO A 66 -4.229 8.176 2.518 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.618 8.784 1.265 1.00 0.00 C ATOM 0 HA PRO A 66 -4.397 6.078 0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.245 6.256 2.667 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.558 6.127 2.211 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.159 8.669 2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.559 8.245 3.375 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.719 9.869 1.260 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.553 8.563 1.195 1.00 0.00 H new ATOM 1086 N GLN A 67 -7.117 7.704 0.830 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.569 7.654 0.799 1.00 0.00 C ATOM 1088 C GLN A 67 -9.043 7.437 -0.645 1.00 0.00 C ATOM 1089 O GLN A 67 -9.953 6.645 -0.877 1.00 0.00 O ATOM 1090 CB GLN A 67 -9.089 8.977 1.391 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.531 8.901 1.915 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.599 8.199 3.277 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -9.732 8.373 4.133 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.614 7.385 3.513 1.00 0.00 N ATOM 0 H GLN A 67 -6.746 8.571 1.219 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.958 6.824 1.389 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.432 9.282 2.206 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.031 9.753 0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.941 9.907 2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.152 8.365 1.197 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.331 7.244 2.801 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.680 6.899 4.407 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.384 8.093 -1.609 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.698 7.956 -3.022 1.00 0.00 C ATOM 1105 C ALA A 68 -8.104 6.667 -3.585 1.00 0.00 C ATOM 1106 O ALA A 68 -8.784 6.023 -4.376 1.00 0.00 O ATOM 1107 CB ALA A 68 -8.167 9.171 -3.792 1.00 0.00 C ATOM 0 H ALA A 68 -7.615 8.736 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.781 7.908 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.405 9.063 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.632 10.078 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.086 9.236 -3.668 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.892 6.263 -3.174 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.288 4.996 -3.596 1.00 0.00 C ATOM 1115 C ILE A 69 -7.278 3.861 -3.350 1.00 0.00 C ATOM 1116 O ILE A 69 -7.648 3.149 -4.278 1.00 0.00 O ATOM 1117 CB ILE A 69 -4.939 4.746 -2.865 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -3.847 5.698 -3.391 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.524 3.262 -2.972 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.574 5.747 -2.537 1.00 0.00 C ATOM 0 H ILE A 69 -6.306 6.807 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.064 5.043 -4.662 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.071 4.965 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.578 5.396 -4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.262 6.704 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.577 3.111 -2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.291 2.636 -2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.410 2.991 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.863 6.442 -2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.824 6.081 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.129 4.753 -2.490 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.695 3.698 -2.098 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.570 2.628 -1.665 1.00 0.00 C ATOM 1134 C CYS A 70 -9.886 2.658 -2.438 1.00 0.00 C ATOM 1135 O CYS A 70 -10.401 1.582 -2.712 1.00 0.00 O ATOM 1136 CB CYS A 70 -8.762 2.748 -0.154 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.202 2.655 0.769 1.00 0.00 S ATOM 0 H CYS A 70 -7.423 4.326 -1.341 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.125 1.656 -1.878 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.254 3.694 0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.427 1.954 0.186 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.487 3.812 -2.755 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.682 3.774 -3.609 1.00 0.00 C ATOM 1144 C VAL A 71 -11.337 3.380 -5.055 1.00 0.00 C ATOM 1145 O VAL A 71 -12.058 2.555 -5.605 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.535 5.054 -3.531 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.855 4.817 -4.288 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.956 5.340 -2.087 1.00 0.00 C ATOM 0 H VAL A 71 -10.187 4.739 -2.452 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.317 2.986 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.943 5.872 -3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.468 5.717 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.639 4.580 -5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.393 3.986 -3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.557 6.249 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.542 4.504 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.068 5.472 -1.468 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.251 3.887 -5.652 1.00 0.00 N ATOM 1159 CA ASP A 72 -9.848 3.595 -7.040 1.00 0.00 C ATOM 1160 C ASP A 72 -9.749 2.085 -7.261 1.00 0.00 C ATOM 1161 O ASP A 72 -10.275 1.530 -8.225 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.519 4.303 -7.351 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.085 4.278 -8.825 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -8.054 3.194 -9.458 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.612 5.352 -9.269 1.00 0.00 O ATOM 0 H ASP A 72 -9.613 4.525 -5.177 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.605 3.975 -7.726 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.597 5.342 -7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.733 3.843 -6.751 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.061 1.400 -6.347 1.00 0.00 N ATOM 1171 CA ILE A 73 -8.872 -0.048 -6.411 1.00 0.00 C ATOM 1172 C ILE A 73 -10.031 -0.844 -5.771 1.00 0.00 C ATOM 1173 O ILE A 73 -10.011 -2.071 -5.802 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.479 -0.399 -5.873 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.391 -0.203 -4.356 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.405 0.438 -6.586 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -5.979 -0.441 -3.835 1.00 0.00 C ATOM 0 H ILE A 73 -8.618 1.836 -5.539 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.909 -0.366 -7.453 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.301 -1.455 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.706 0.809 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.081 -0.886 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.422 0.178 -6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.435 0.233 -7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.596 1.497 -6.414 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.960 -0.292 -2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.673 -1.461 -4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.293 0.260 -4.310 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.032 -0.144 -5.232 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.307 -0.585 -4.674 1.00 0.00 C ATOM 1191 C LYS A 74 -12.141 -1.414 -3.399 1.00 0.00 C ATOM 1192 O LYS A 74 -12.327 -2.627 -3.374 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.186 -1.236 -5.756 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.629 -1.311 -5.241 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.526 -2.273 -6.033 1.00 0.00 C ATOM 1196 CE LYS A 74 -16.123 -1.608 -7.281 1.00 0.00 C ATOM 1197 NZ LYS A 74 -17.311 -0.787 -6.952 1.00 0.00 N ATOM 0 H LYS A 74 -10.955 0.871 -5.171 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.853 0.297 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.144 -0.655 -6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.817 -2.234 -5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.615 -1.621 -4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.067 -0.313 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.946 -3.147 -6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.332 -2.628 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.368 -0.981 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.400 -2.375 -8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.685 -0.355 -7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.042 -1.390 -6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.041 -0.039 -6.281 1.00 0.00 H new ATOM 1211 N ILE A 75 -11.799 -0.709 -2.324 1.00 0.00 N ATOM 1212 CA ILE A 75 -11.515 -1.214 -0.987 1.00 0.00 C ATOM 1213 C ILE A 75 -12.094 -0.261 0.087 1.00 0.00 C ATOM 1214 O ILE A 75 -12.252 -0.674 1.231 1.00 0.00 O ATOM 1215 CB ILE A 75 -9.976 -1.407 -0.871 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.419 -2.395 -1.926 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -9.513 -1.930 0.494 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -7.898 -2.563 -1.850 1.00 0.00 C ATOM 0 H ILE A 75 -11.707 0.306 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.998 -2.176 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.590 -0.400 -1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.893 -3.367 -1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.690 -2.045 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.428 -2.037 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.808 -1.226 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.973 -2.899 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.571 -3.267 -2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.417 -1.599 -2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.623 -2.942 -0.866 1.00 0.00 H new