USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 551 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 70 THR OG1 : rot 44:sc= 1.76 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -171:sc= 0.378 (180deg=-0.287) USER MOD Set 2.1: A 45 SER OG : rot 83:sc= 1.44 USER MOD Set 2.2: A 58 THR OG1 : rot 78:sc= 0.358 USER MOD Set 3.1: A 42 HIS : no HD1:sc= -0.387 K(o=-0.25,f=-8.2!) USER MOD Set 3.2: A 46 HIS : no HD1:sc= 0.159 K(o=-0.25,f=-7.4!) USER MOD Set 3.3: A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.4: A 56 HIS : no HD1:sc= -0.0244 K(o=-0.25,f=-0.94) USER MOD Set 4.1: A 26 LYS NZ :NH3+ -153:sc= 0.847 (180deg=0.296) USER MOD Set 4.2: A 57 HIS : no HE2:sc= -2.65 K(o=-1.8,f=-4.1!) USER MOD Single : A 12 GLN : amide:sc= 0.978 K(o=0.98,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00519) USER MOD Single : A 17 THR OG1 : rot -15:sc= 0.38 USER MOD Single : A 22 SER OG : rot 140:sc= 0.558 USER MOD Single : A 27 SER OG : rot -36:sc= 0.75 USER MOD Single : A 32 THR OG1 : rot 63:sc= 0.372 USER MOD Single : A 36 THR OG1 : rot -69:sc= 1.21 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0915 USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0296) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00166 USER MOD Single : A 53 GLN : amide:sc= 0.812 K(o=0.81,f=-4.1!) USER MOD Single : A 64 ASN : amide:sc= 1.16 K(o=1.2,f=-0.13) USER MOD Single : A 69 GLN : amide:sc= -0.564! C(o=-0.56!,f=-3.2!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.277 USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0129) USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -0.0127 (180deg=-0.209) USER MOD Single : A 79 SER OG : rot 180:sc= 0.00446 USER MOD Single : A 80 LYS NZ :NH3+ -169:sc=-0.00854 (180deg=-0.146) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 12.400 1.012 -6.940 1.00 0.00 N ATOM 62 CA GLY A 5 13.249 1.573 -5.902 1.00 0.00 C ATOM 63 C GLY A 5 13.198 0.722 -4.628 1.00 0.00 C ATOM 64 O GLY A 5 12.270 0.881 -3.836 1.00 0.00 O ATOM 0 HA2 GLY A 5 14.276 1.634 -6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.929 2.590 -5.677 1.00 0.00 H new ATOM 68 N ALA A 6 14.164 -0.192 -4.429 1.00 0.00 N ATOM 69 CA ALA A 6 14.265 -0.989 -3.208 1.00 0.00 C ATOM 70 C ALA A 6 14.214 -0.038 -2.014 1.00 0.00 C ATOM 71 O ALA A 6 14.953 0.945 -1.983 1.00 0.00 O ATOM 72 CB ALA A 6 15.553 -1.815 -3.216 1.00 0.00 C ATOM 0 H ALA A 6 14.893 -0.394 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 6 13.436 -1.693 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.614 -2.403 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.551 -2.483 -4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 6 16.413 -1.148 -3.276 1.00 0.00 H new ATOM 78 N CYS A 7 13.327 -0.317 -1.059 1.00 0.00 N ATOM 79 CA CYS A 7 12.997 0.635 -0.013 1.00 0.00 C ATOM 80 C CYS A 7 13.409 0.239 1.410 1.00 0.00 C ATOM 81 O CYS A 7 13.229 -0.898 1.843 1.00 0.00 O ATOM 82 CB CYS A 7 11.498 0.904 -0.089 1.00 0.00 C ATOM 83 SG CYS A 7 11.010 2.081 1.167 1.00 0.00 S ATOM 0 H CYS A 7 12.824 -1.202 -0.993 1.00 0.00 H new ATOM 0 HA CYS A 7 13.589 1.530 -0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.241 1.288 -1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.948 -0.028 0.043 1.00 0.00 H new ATOM 88 N GLU A 8 13.901 1.237 2.151 1.00 0.00 N ATOM 89 CA GLU A 8 14.314 1.170 3.544 1.00 0.00 C ATOM 90 C GLU A 8 13.181 1.712 4.438 1.00 0.00 C ATOM 91 O GLU A 8 12.852 1.097 5.453 1.00 0.00 O ATOM 92 CB GLU A 8 15.595 1.990 3.731 1.00 0.00 C ATOM 93 CG GLU A 8 16.750 1.544 2.821 1.00 0.00 C ATOM 94 CD GLU A 8 17.949 2.484 2.943 1.00 0.00 C ATOM 95 OE1 GLU A 8 18.486 2.584 4.068 1.00 0.00 O ATOM 96 OE2 GLU A 8 18.294 3.105 1.913 1.00 0.00 O ATOM 0 H GLU A 8 14.027 2.171 1.762 1.00 0.00 H new ATOM 0 HA GLU A 8 14.517 0.137 3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.376 3.040 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.914 1.918 4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.052 0.530 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.410 1.517 1.786 1.00 0.00 H new ATOM 103 N ARG A 9 12.571 2.841 4.053 1.00 0.00 N ATOM 104 CA ARG A 9 11.436 3.462 4.730 1.00 0.00 C ATOM 105 C ARG A 9 10.691 4.367 3.745 1.00 0.00 C ATOM 106 O ARG A 9 11.270 4.748 2.728 1.00 0.00 O ATOM 107 CB ARG A 9 11.856 4.215 5.999 1.00 0.00 C ATOM 108 CG ARG A 9 12.668 5.509 5.818 1.00 0.00 C ATOM 109 CD ARG A 9 14.119 5.327 5.369 1.00 0.00 C ATOM 110 NE ARG A 9 14.907 4.561 6.338 1.00 0.00 N ATOM 111 CZ ARG A 9 16.199 4.248 6.168 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.867 4.662 5.085 1.00 0.00 N ATOM 113 NH2 ARG A 9 16.818 3.491 7.078 1.00 0.00 N ATOM 0 H ARG A 9 12.870 3.363 3.229 1.00 0.00 H new ATOM 0 HA ARG A 9 10.760 2.675 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.954 4.459 6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.441 3.534 6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.158 6.137 5.088 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.665 6.052 6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.138 4.819 4.405 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.578 6.305 5.223 1.00 0.00 H new ATOM 0 HE ARG A 9 14.445 4.248 7.192 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.393 5.223 4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.850 4.417 4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.307 3.156 7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.801 3.248 6.956 1.00 0.00 H new ATOM 127 N ASP A 10 9.438 4.738 4.041 1.00 0.00 N ATOM 128 CA ASP A 10 8.610 5.547 3.133 1.00 0.00 C ATOM 129 C ASP A 10 9.362 6.785 2.624 1.00 0.00 C ATOM 130 O ASP A 10 9.326 7.114 1.435 1.00 0.00 O ATOM 131 CB ASP A 10 7.320 6.013 3.831 1.00 0.00 C ATOM 132 CG ASP A 10 6.209 4.981 3.974 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.359 3.800 3.593 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.161 5.375 4.529 1.00 0.00 O ATOM 0 H ASP A 10 8.970 4.488 4.912 1.00 0.00 H new ATOM 0 HA ASP A 10 8.364 4.906 2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.582 6.371 4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.924 6.866 3.280 1.00 0.00 H new ATOM 139 N LEU A 11 10.061 7.461 3.542 1.00 0.00 N ATOM 140 CA LEU A 11 10.803 8.692 3.292 1.00 0.00 C ATOM 141 C LEU A 11 11.781 8.591 2.115 1.00 0.00 C ATOM 142 O LEU A 11 12.166 9.625 1.575 1.00 0.00 O ATOM 143 CB LEU A 11 11.552 9.166 4.552 1.00 0.00 C ATOM 144 CG LEU A 11 10.705 9.586 5.770 1.00 0.00 C ATOM 145 CD1 LEU A 11 9.591 10.569 5.394 1.00 0.00 C ATOM 146 CD2 LEU A 11 10.136 8.411 6.576 1.00 0.00 C ATOM 0 H LEU A 11 10.125 7.152 4.512 1.00 0.00 H new ATOM 0 HA LEU A 11 10.048 9.430 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.220 8.364 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.180 10.012 4.271 1.00 0.00 H new ATOM 0 HG LEU A 11 11.410 10.096 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.023 10.834 6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.030 11.469 4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.926 10.104 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.554 8.793 7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.495 7.806 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.955 7.798 6.953 1.00 0.00 H new ATOM 158 N GLN A 12 12.197 7.385 1.708 1.00 0.00 N ATOM 159 CA GLN A 12 13.092 7.229 0.564 1.00 0.00 C ATOM 160 C GLN A 12 12.478 7.862 -0.689 1.00 0.00 C ATOM 161 O GLN A 12 13.205 8.385 -1.529 1.00 0.00 O ATOM 162 CB GLN A 12 13.346 5.743 0.278 1.00 0.00 C ATOM 163 CG GLN A 12 13.942 4.985 1.466 1.00 0.00 C ATOM 164 CD GLN A 12 15.460 5.002 1.564 1.00 0.00 C ATOM 165 OE1 GLN A 12 16.009 5.519 2.533 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.142 4.349 0.630 1.00 0.00 N ATOM 0 H GLN A 12 11.927 6.509 2.155 1.00 0.00 H new ATOM 0 HA GLN A 12 14.031 7.726 0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.407 5.271 -0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.020 5.655 -0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.532 5.405 2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.611 3.948 1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.652 3.932 -0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.156 4.264 0.704 1.00 0.00 H new ATOM 175 N CYS A 13 11.147 7.779 -0.816 1.00 0.00 N ATOM 176 CA CYS A 13 10.416 8.254 -1.987 1.00 0.00 C ATOM 177 C CYS A 13 9.354 9.288 -1.616 1.00 0.00 C ATOM 178 O CYS A 13 9.110 10.216 -2.383 1.00 0.00 O ATOM 179 CB CYS A 13 9.818 7.056 -2.719 1.00 0.00 C ATOM 180 SG CYS A 13 11.047 5.970 -3.483 1.00 0.00 S ATOM 0 H CYS A 13 10.546 7.375 -0.098 1.00 0.00 H new ATOM 0 HA CYS A 13 11.109 8.766 -2.655 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.222 6.474 -2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.138 7.417 -3.491 1.00 0.00 H new ATOM 185 N GLY A 14 8.721 9.149 -0.448 1.00 0.00 N ATOM 186 CA GLY A 14 7.747 10.113 0.040 1.00 0.00 C ATOM 187 C GLY A 14 6.302 9.747 -0.297 1.00 0.00 C ATOM 188 O GLY A 14 6.037 8.751 -0.971 1.00 0.00 O ATOM 0 H GLY A 14 8.874 8.362 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.847 10.203 1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.973 11.092 -0.383 1.00 0.00 H new ATOM 192 N LYS A 15 5.393 10.626 0.149 1.00 0.00 N ATOM 193 CA LYS A 15 3.931 10.535 0.137 1.00 0.00 C ATOM 194 C LYS A 15 3.294 9.917 -1.109 1.00 0.00 C ATOM 195 O LYS A 15 2.266 9.255 -0.992 1.00 0.00 O ATOM 196 CB LYS A 15 3.346 11.938 0.376 1.00 0.00 C ATOM 197 CG LYS A 15 3.509 12.417 1.827 1.00 0.00 C ATOM 198 CD LYS A 15 2.379 11.871 2.713 1.00 0.00 C ATOM 199 CE LYS A 15 2.657 12.107 4.201 1.00 0.00 C ATOM 200 NZ LYS A 15 2.731 13.542 4.530 1.00 0.00 N ATOM 0 H LYS A 15 5.697 11.505 0.568 1.00 0.00 H new ATOM 0 HA LYS A 15 3.684 9.836 0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.834 12.648 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.287 11.933 0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.473 12.089 2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.507 13.507 1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.439 12.349 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.258 10.803 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.872 11.639 4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.595 11.624 4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.870 13.657 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.529 13.974 4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.846 14.009 4.246 1.00 0.00 H new ATOM 214 N GLY A 16 3.853 10.138 -2.300 1.00 0.00 N ATOM 215 CA GLY A 16 3.307 9.548 -3.519 1.00 0.00 C ATOM 216 C GLY A 16 3.400 8.016 -3.517 1.00 0.00 C ATOM 217 O GLY A 16 2.780 7.350 -4.346 1.00 0.00 O ATOM 0 H GLY A 16 4.679 10.718 -2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.264 9.846 -3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.844 9.941 -4.382 1.00 0.00 H new ATOM 221 N THR A 17 4.205 7.450 -2.617 1.00 0.00 N ATOM 222 CA THR A 17 4.438 6.027 -2.501 1.00 0.00 C ATOM 223 C THR A 17 4.524 5.628 -1.024 1.00 0.00 C ATOM 224 O THR A 17 4.478 6.486 -0.144 1.00 0.00 O ATOM 225 CB THR A 17 5.790 5.728 -3.175 1.00 0.00 C ATOM 226 OG1 THR A 17 6.818 6.454 -2.524 1.00 0.00 O ATOM 227 CG2 THR A 17 5.846 6.089 -4.662 1.00 0.00 C ATOM 0 H THR A 17 4.726 7.996 -1.930 1.00 0.00 H new ATOM 0 HA THR A 17 3.626 5.471 -2.970 1.00 0.00 H new ATOM 0 HB THR A 17 5.923 4.649 -3.090 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.420 7.148 -1.958 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.832 5.847 -5.058 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.088 5.522 -5.203 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.658 7.156 -4.785 1.00 0.00 H new ATOM 235 N CYS A 18 4.647 4.327 -0.757 1.00 0.00 N ATOM 236 CA CYS A 18 4.960 3.776 0.550 1.00 0.00 C ATOM 237 C CYS A 18 5.905 2.578 0.368 1.00 0.00 C ATOM 238 O CYS A 18 5.976 1.982 -0.709 1.00 0.00 O ATOM 239 CB CYS A 18 3.698 3.438 1.342 1.00 0.00 C ATOM 240 SG CYS A 18 3.256 1.695 1.282 1.00 0.00 S ATOM 0 H CYS A 18 4.526 3.610 -1.472 1.00 0.00 H new ATOM 0 HA CYS A 18 5.474 4.525 1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.842 3.732 2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.867 4.029 0.955 1.00 0.00 H new ATOM 245 N CYS A 19 6.626 2.221 1.426 1.00 0.00 N ATOM 246 CA CYS A 19 7.650 1.184 1.465 1.00 0.00 C ATOM 247 C CYS A 19 7.061 -0.226 1.588 1.00 0.00 C ATOM 248 O CYS A 19 7.209 -0.848 2.638 1.00 0.00 O ATOM 249 CB CYS A 19 8.516 1.514 2.686 1.00 0.00 C ATOM 250 SG CYS A 19 10.187 0.865 2.640 1.00 0.00 S ATOM 0 H CYS A 19 6.504 2.674 2.331 1.00 0.00 H new ATOM 0 HA CYS A 19 8.220 1.177 0.536 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.568 2.598 2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.019 1.130 3.577 1.00 0.00 H new ATOM 255 N ALA A 20 6.390 -0.742 0.551 1.00 0.00 N ATOM 256 CA ALA A 20 5.672 -2.025 0.622 1.00 0.00 C ATOM 257 C ALA A 20 6.359 -3.148 -0.152 1.00 0.00 C ATOM 258 O ALA A 20 7.152 -2.894 -1.056 1.00 0.00 O ATOM 259 CB ALA A 20 4.228 -1.856 0.144 1.00 0.00 C ATOM 0 H ALA A 20 6.328 -0.285 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 20 5.679 -2.323 1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.711 -2.814 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.718 -1.129 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.225 -1.505 -0.888 1.00 0.00 H new ATOM 265 N VAL A 21 6.062 -4.397 0.226 1.00 0.00 N ATOM 266 CA VAL A 21 6.628 -5.593 -0.392 1.00 0.00 C ATOM 267 C VAL A 21 6.405 -5.549 -1.911 1.00 0.00 C ATOM 268 O VAL A 21 5.333 -5.163 -2.370 1.00 0.00 O ATOM 269 CB VAL A 21 6.058 -6.871 0.261 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.777 -8.122 -0.258 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.209 -6.836 1.790 1.00 0.00 C ATOM 0 H VAL A 21 5.410 -4.604 0.983 1.00 0.00 H new ATOM 0 HA VAL A 21 7.704 -5.617 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 21 5.001 -6.910 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.356 -9.008 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.648 -8.194 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.839 -8.055 -0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.798 -7.750 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.265 -6.757 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.672 -5.976 2.189 1.00 0.00 H new ATOM 281 N SER A 22 7.412 -5.910 -2.711 1.00 0.00 N ATOM 282 CA SER A 22 7.243 -5.971 -4.156 1.00 0.00 C ATOM 283 C SER A 22 6.220 -7.065 -4.444 1.00 0.00 C ATOM 284 O SER A 22 6.244 -8.131 -3.832 1.00 0.00 O ATOM 285 CB SER A 22 8.589 -6.229 -4.854 1.00 0.00 C ATOM 286 OG SER A 22 8.429 -6.666 -6.198 1.00 0.00 O ATOM 0 H SER A 22 8.344 -6.162 -2.381 1.00 0.00 H new ATOM 0 HA SER A 22 6.882 -5.021 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.183 -5.315 -4.840 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.147 -6.980 -4.295 1.00 0.00 H new ATOM 0 HG SER A 22 9.106 -6.240 -6.763 1.00 0.00 H new ATOM 292 N LEU A 23 5.271 -6.808 -5.341 1.00 0.00 N ATOM 293 CA LEU A 23 4.285 -7.815 -5.712 1.00 0.00 C ATOM 294 C LEU A 23 4.903 -8.857 -6.645 1.00 0.00 C ATOM 295 O LEU A 23 4.230 -9.824 -6.995 1.00 0.00 O ATOM 296 CB LEU A 23 3.043 -7.141 -6.300 1.00 0.00 C ATOM 297 CG LEU A 23 2.249 -6.468 -5.172 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.505 -5.243 -5.678 1.00 0.00 C ATOM 299 CD2 LEU A 23 1.222 -7.423 -4.562 1.00 0.00 C ATOM 0 H LEU A 23 5.165 -5.915 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 23 3.961 -8.356 -4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.335 -6.402 -7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.421 -7.878 -6.808 1.00 0.00 H new ATOM 0 HG LEU A 23 2.977 -6.177 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.952 -4.788 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.219 -4.523 -6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.810 -5.538 -6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.678 -6.913 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.521 -7.744 -5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.734 -8.293 -4.151 1.00 0.00 H new ATOM 311 N TRP A 24 6.176 -8.682 -7.022 1.00 0.00 N ATOM 312 CA TRP A 24 6.878 -9.568 -7.930 1.00 0.00 C ATOM 313 C TRP A 24 8.023 -10.235 -7.168 1.00 0.00 C ATOM 314 O TRP A 24 7.965 -11.442 -6.932 1.00 0.00 O ATOM 315 CB TRP A 24 7.251 -8.765 -9.183 1.00 0.00 C ATOM 316 CG TRP A 24 6.055 -8.057 -9.753 1.00 0.00 C ATOM 317 CD1 TRP A 24 5.141 -8.628 -10.568 1.00 0.00 C ATOM 318 CD2 TRP A 24 5.480 -6.771 -9.356 1.00 0.00 C ATOM 319 NE1 TRP A 24 4.036 -7.810 -10.683 1.00 0.00 N ATOM 320 CE2 TRP A 24 4.180 -6.665 -9.931 1.00 0.00 C ATOM 321 CE3 TRP A 24 5.883 -5.720 -8.503 1.00 0.00 C ATOM 322 CZ2 TRP A 24 3.320 -5.591 -9.659 1.00 0.00 C ATOM 323 CZ3 TRP A 24 5.038 -4.625 -8.239 1.00 0.00 C ATOM 324 CH2 TRP A 24 3.745 -4.576 -8.788 1.00 0.00 C ATOM 0 H TRP A 24 6.748 -7.904 -6.693 1.00 0.00 H new ATOM 0 HA TRP A 24 6.274 -10.398 -8.296 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.023 -8.037 -8.935 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.673 -9.433 -9.934 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.258 -9.584 -11.057 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.217 -8.026 -11.252 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.860 -5.757 -8.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.342 -5.546 -10.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 5.385 -3.818 -7.611 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.081 -3.761 -8.541 1.00 0.00 H new ATOM 335 N ILE A 25 9.029 -9.480 -6.708 1.00 0.00 N ATOM 336 CA ILE A 25 10.079 -10.070 -5.886 1.00 0.00 C ATOM 337 C ILE A 25 9.608 -9.967 -4.439 1.00 0.00 C ATOM 338 O ILE A 25 10.081 -9.144 -3.661 1.00 0.00 O ATOM 339 CB ILE A 25 11.476 -9.481 -6.169 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.522 -10.116 -5.227 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.519 -7.950 -6.105 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.953 -9.988 -5.759 1.00 0.00 C ATOM 0 H ILE A 25 9.133 -8.482 -6.889 1.00 0.00 H new ATOM 0 HA ILE A 25 10.230 -11.121 -6.134 1.00 0.00 H new ATOM 0 HB ILE A 25 11.723 -9.735 -7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.459 -9.641 -4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.285 -11.170 -5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.532 -7.605 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.835 -7.536 -6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.221 -7.619 -5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.645 -10.452 -5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.028 -10.487 -6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.205 -8.934 -5.875 1.00 0.00 H new ATOM 354 N LYS A 26 8.703 -10.866 -4.054 1.00 0.00 N ATOM 355 CA LYS A 26 8.096 -10.904 -2.725 1.00 0.00 C ATOM 356 C LYS A 26 9.096 -11.043 -1.557 1.00 0.00 C ATOM 357 O LYS A 26 8.677 -11.081 -0.404 1.00 0.00 O ATOM 358 CB LYS A 26 7.028 -12.008 -2.682 1.00 0.00 C ATOM 359 CG LYS A 26 5.973 -11.854 -3.790 1.00 0.00 C ATOM 360 CD LYS A 26 4.845 -12.872 -3.572 1.00 0.00 C ATOM 361 CE LYS A 26 3.901 -12.961 -4.778 1.00 0.00 C ATOM 362 NZ LYS A 26 3.222 -11.684 -5.059 1.00 0.00 N ATOM 0 H LYS A 26 8.364 -11.604 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 26 7.637 -9.928 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.512 -12.980 -2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.534 -11.993 -1.710 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.569 -10.842 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.432 -12.008 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.277 -13.854 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.274 -12.594 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.468 -13.268 -5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.154 -13.733 -4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.313 -11.870 -5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.052 -11.177 -4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.820 -11.102 -5.679 1.00 0.00 H new ATOM 376 N SER A 27 10.403 -11.118 -1.834 1.00 0.00 N ATOM 377 CA SER A 27 11.466 -11.193 -0.843 1.00 0.00 C ATOM 378 C SER A 27 12.093 -9.810 -0.605 1.00 0.00 C ATOM 379 O SER A 27 13.043 -9.715 0.171 1.00 0.00 O ATOM 380 CB SER A 27 12.528 -12.183 -1.343 1.00 0.00 C ATOM 381 OG SER A 27 13.537 -12.366 -0.369 1.00 0.00 O ATOM 0 H SER A 27 10.755 -11.128 -2.791 1.00 0.00 H new ATOM 0 HA SER A 27 11.055 -11.535 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.060 -13.140 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.971 -11.813 -2.268 1.00 0.00 H new ATOM 0 HG SER A 27 13.705 -11.517 0.092 1.00 0.00 H new ATOM 387 N VAL A 28 11.620 -8.764 -1.291 1.00 0.00 N ATOM 388 CA VAL A 28 12.131 -7.403 -1.203 1.00 0.00 C ATOM 389 C VAL A 28 10.932 -6.456 -1.168 1.00 0.00 C ATOM 390 O VAL A 28 9.865 -6.802 -1.673 1.00 0.00 O ATOM 391 CB VAL A 28 13.023 -7.141 -2.436 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.246 -5.654 -2.738 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.380 -7.841 -2.287 1.00 0.00 C ATOM 0 H VAL A 28 10.842 -8.851 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 28 12.730 -7.247 -0.306 1.00 0.00 H new ATOM 0 HB VAL A 28 12.475 -7.557 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.882 -5.553 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.286 -5.173 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.729 -5.178 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.991 -7.642 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.889 -7.464 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.226 -8.915 -2.188 1.00 0.00 H new ATOM 403 N ARG A 29 11.098 -5.267 -0.577 1.00 0.00 N ATOM 404 CA ARG A 29 10.084 -4.223 -0.571 1.00 0.00 C ATOM 405 C ARG A 29 10.614 -3.004 -1.312 1.00 0.00 C ATOM 406 O ARG A 29 11.815 -2.731 -1.300 1.00 0.00 O ATOM 407 CB ARG A 29 9.571 -3.923 0.840 1.00 0.00 C ATOM 408 CG ARG A 29 10.633 -3.487 1.836 1.00 0.00 C ATOM 409 CD ARG A 29 9.917 -3.017 3.108 1.00 0.00 C ATOM 410 NE ARG A 29 9.041 -4.040 3.700 1.00 0.00 N ATOM 411 CZ ARG A 29 9.428 -5.212 4.223 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.721 -5.538 4.329 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.484 -6.052 4.653 1.00 0.00 N ATOM 0 H ARG A 29 11.953 -5.006 -0.085 1.00 0.00 H new ATOM 0 HA ARG A 29 9.201 -4.571 -1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.814 -3.142 0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.077 -4.814 1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.308 -4.313 2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.240 -2.683 1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.662 -2.717 3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.324 -2.132 2.876 1.00 0.00 H new ATOM 0 HE ARG A 29 8.041 -3.838 3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.439 -4.888 4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.989 -6.436 4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.500 -5.794 4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.747 -6.951 5.056 1.00 0.00 H new ATOM 427 N VAL A 30 9.709 -2.306 -1.996 1.00 0.00 N ATOM 428 CA VAL A 30 10.011 -1.218 -2.901 1.00 0.00 C ATOM 429 C VAL A 30 9.067 -0.041 -2.658 1.00 0.00 C ATOM 430 O VAL A 30 8.023 -0.179 -2.005 1.00 0.00 O ATOM 431 CB VAL A 30 9.867 -1.731 -4.349 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.836 -2.878 -4.653 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.438 -2.205 -4.661 1.00 0.00 C ATOM 0 H VAL A 30 8.709 -2.497 -1.927 1.00 0.00 H new ATOM 0 HA VAL A 30 11.030 -0.870 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 30 10.107 -0.877 -4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.699 -3.207 -5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.861 -2.534 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.638 -3.710 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.388 -2.556 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.169 -3.018 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.742 -1.377 -4.526 1.00 0.00 H new ATOM 443 N CYS A 31 9.431 1.121 -3.208 1.00 0.00 N ATOM 444 CA CYS A 31 8.564 2.285 -3.169 1.00 0.00 C ATOM 445 C CYS A 31 7.381 1.950 -4.069 1.00 0.00 C ATOM 446 O CYS A 31 7.474 2.008 -5.294 1.00 0.00 O ATOM 447 CB CYS A 31 9.273 3.553 -3.648 1.00 0.00 C ATOM 448 SG CYS A 31 10.637 4.127 -2.622 1.00 0.00 S ATOM 0 H CYS A 31 10.321 1.273 -3.683 1.00 0.00 H new ATOM 0 HA CYS A 31 8.252 2.497 -2.146 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.651 3.376 -4.655 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.536 4.353 -3.720 1.00 0.00 H new ATOM 453 N THR A 32 6.273 1.554 -3.456 1.00 0.00 N ATOM 454 CA THR A 32 5.061 1.144 -4.136 1.00 0.00 C ATOM 455 C THR A 32 4.110 2.340 -4.113 1.00 0.00 C ATOM 456 O THR A 32 4.029 3.009 -3.086 1.00 0.00 O ATOM 457 CB THR A 32 4.487 -0.060 -3.384 1.00 0.00 C ATOM 458 OG1 THR A 32 5.493 -1.044 -3.221 1.00 0.00 O ATOM 459 CG2 THR A 32 3.306 -0.678 -4.134 1.00 0.00 C ATOM 0 H THR A 32 6.195 1.510 -2.440 1.00 0.00 H new ATOM 0 HA THR A 32 5.232 0.848 -5.171 1.00 0.00 H new ATOM 0 HB THR A 32 4.136 0.290 -2.413 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.218 -0.682 -2.670 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.924 -1.530 -3.572 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.517 0.066 -4.247 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.634 -1.011 -5.119 1.00 0.00 H new ATOM 467 N PRO A 33 3.434 2.673 -5.221 1.00 0.00 N ATOM 468 CA PRO A 33 2.493 3.782 -5.269 1.00 0.00 C ATOM 469 C PRO A 33 1.441 3.716 -4.161 1.00 0.00 C ATOM 470 O PRO A 33 1.096 2.626 -3.702 1.00 0.00 O ATOM 471 CB PRO A 33 1.812 3.668 -6.638 1.00 0.00 C ATOM 472 CG PRO A 33 2.858 2.967 -7.504 1.00 0.00 C ATOM 473 CD PRO A 33 3.555 2.030 -6.518 1.00 0.00 C ATOM 0 HA PRO A 33 3.015 4.728 -5.123 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.889 3.092 -6.579 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.551 4.648 -7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.398 2.418 -8.326 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.556 3.677 -7.947 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.086 1.046 -6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.601 1.884 -6.788 1.00 0.00 H new ATOM 481 N VAL A 34 0.925 4.876 -3.730 1.00 0.00 N ATOM 482 CA VAL A 34 -0.240 4.890 -2.844 1.00 0.00 C ATOM 483 C VAL A 34 -1.345 4.075 -3.533 1.00 0.00 C ATOM 484 O VAL A 34 -1.422 4.044 -4.761 1.00 0.00 O ATOM 485 CB VAL A 34 -0.762 6.315 -2.568 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.134 6.980 -1.341 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.595 7.239 -3.776 1.00 0.00 C ATOM 0 H VAL A 34 1.289 5.797 -3.976 1.00 0.00 H new ATOM 0 HA VAL A 34 0.048 4.468 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.823 6.173 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.552 7.978 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.346 6.382 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.945 7.054 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.977 8.230 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.461 7.311 -4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.150 6.835 -4.623 1.00 0.00 H new ATOM 497 N GLY A 35 -2.209 3.425 -2.759 1.00 0.00 N ATOM 498 CA GLY A 35 -3.272 2.606 -3.312 1.00 0.00 C ATOM 499 C GLY A 35 -4.217 3.464 -4.152 1.00 0.00 C ATOM 500 O GLY A 35 -4.913 4.317 -3.605 1.00 0.00 O ATOM 0 H GLY A 35 -2.189 3.453 -1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.847 1.812 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.826 2.124 -2.507 1.00 0.00 H new ATOM 504 N THR A 36 -4.258 3.243 -5.467 1.00 0.00 N ATOM 505 CA THR A 36 -5.124 3.981 -6.377 1.00 0.00 C ATOM 506 C THR A 36 -6.377 3.145 -6.644 1.00 0.00 C ATOM 507 O THR A 36 -6.447 1.982 -6.248 1.00 0.00 O ATOM 508 CB THR A 36 -4.382 4.319 -7.682 1.00 0.00 C ATOM 509 OG1 THR A 36 -3.847 3.161 -8.286 1.00 0.00 O ATOM 510 CG2 THR A 36 -3.254 5.327 -7.453 1.00 0.00 C ATOM 0 H THR A 36 -3.684 2.539 -5.931 1.00 0.00 H new ATOM 0 HA THR A 36 -5.417 4.928 -5.925 1.00 0.00 H new ATOM 0 HB THR A 36 -5.122 4.764 -8.347 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.112 2.816 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.756 5.538 -8.400 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.668 6.250 -7.047 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.533 4.912 -6.749 1.00 0.00 H new ATOM 518 N SER A 37 -7.382 3.752 -7.279 1.00 0.00 N ATOM 519 CA SER A 37 -8.666 3.159 -7.602 1.00 0.00 C ATOM 520 C SER A 37 -8.552 1.711 -8.095 1.00 0.00 C ATOM 521 O SER A 37 -8.108 1.481 -9.218 1.00 0.00 O ATOM 522 CB SER A 37 -9.318 4.057 -8.658 1.00 0.00 C ATOM 523 OG SER A 37 -9.119 5.413 -8.287 1.00 0.00 O ATOM 0 H SER A 37 -7.311 4.719 -7.595 1.00 0.00 H new ATOM 0 HA SER A 37 -9.276 3.101 -6.701 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.882 3.865 -9.638 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.383 3.838 -8.735 1.00 0.00 H new ATOM 0 HG SER A 37 -9.530 5.999 -8.956 1.00 0.00 H new ATOM 529 N GLY A 38 -8.958 0.745 -7.266 1.00 0.00 N ATOM 530 CA GLY A 38 -8.953 -0.672 -7.608 1.00 0.00 C ATOM 531 C GLY A 38 -7.797 -1.459 -6.988 1.00 0.00 C ATOM 532 O GLY A 38 -7.872 -2.685 -6.933 1.00 0.00 O ATOM 0 H GLY A 38 -9.304 0.933 -6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.895 -1.116 -7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.907 -0.773 -8.692 1.00 0.00 H new ATOM 536 N GLU A 39 -6.725 -0.809 -6.526 1.00 0.00 N ATOM 537 CA GLU A 39 -5.621 -1.536 -5.912 1.00 0.00 C ATOM 538 C GLU A 39 -6.067 -2.160 -4.587 1.00 0.00 C ATOM 539 O GLU A 39 -6.919 -1.610 -3.887 1.00 0.00 O ATOM 540 CB GLU A 39 -4.401 -0.631 -5.708 1.00 0.00 C ATOM 541 CG GLU A 39 -3.792 -0.207 -7.050 1.00 0.00 C ATOM 542 CD GLU A 39 -2.401 0.389 -6.860 1.00 0.00 C ATOM 543 OE1 GLU A 39 -1.434 -0.401 -6.889 1.00 0.00 O ATOM 544 OE2 GLU A 39 -2.335 1.623 -6.675 1.00 0.00 O ATOM 0 H GLU A 39 -6.602 0.203 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.324 -2.336 -6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.692 0.254 -5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.651 -1.155 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.734 -1.069 -7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.441 0.524 -7.532 1.00 0.00 H new ATOM 551 N ASP A 40 -5.489 -3.318 -4.254 1.00 0.00 N ATOM 552 CA ASP A 40 -5.782 -4.030 -3.018 1.00 0.00 C ATOM 553 C ASP A 40 -5.264 -3.235 -1.823 1.00 0.00 C ATOM 554 O ASP A 40 -4.247 -2.549 -1.936 1.00 0.00 O ATOM 555 CB ASP A 40 -5.119 -5.413 -3.036 1.00 0.00 C ATOM 556 CG ASP A 40 -5.626 -6.289 -1.893 1.00 0.00 C ATOM 557 OD1 ASP A 40 -6.649 -6.972 -2.115 1.00 0.00 O ATOM 558 OD2 ASP A 40 -4.979 -6.267 -0.825 1.00 0.00 O ATOM 0 H ASP A 40 -4.800 -3.787 -4.843 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.862 -4.150 -2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.321 -5.903 -3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.038 -5.301 -2.958 1.00 0.00 H new ATOM 563 N CYS A 41 -5.942 -3.339 -0.681 1.00 0.00 N ATOM 564 CA CYS A 41 -5.507 -2.713 0.555 1.00 0.00 C ATOM 565 C CYS A 41 -5.742 -3.613 1.737 1.00 0.00 C ATOM 566 O CYS A 41 -6.611 -4.482 1.754 1.00 0.00 O ATOM 567 CB CYS A 41 -6.195 -1.382 0.842 1.00 0.00 C ATOM 568 SG CYS A 41 -7.989 -1.392 0.620 1.00 0.00 S ATOM 0 H CYS A 41 -6.812 -3.864 -0.592 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.442 -2.529 0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.972 -1.087 1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.767 -0.620 0.191 1.00 0.00 H new ATOM 573 N HIS A 42 -4.936 -3.311 2.743 1.00 0.00 N ATOM 574 CA HIS A 42 -4.976 -3.911 4.060 1.00 0.00 C ATOM 575 C HIS A 42 -5.597 -2.846 4.956 1.00 0.00 C ATOM 576 O HIS A 42 -5.121 -1.708 4.921 1.00 0.00 O ATOM 577 CB HIS A 42 -3.554 -4.266 4.509 1.00 0.00 C ATOM 578 CG HIS A 42 -3.501 -5.078 5.771 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.163 -4.699 6.938 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.865 -6.266 5.989 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.922 -5.692 7.800 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.144 -6.654 7.282 1.00 0.00 N ATOM 0 H HIS A 42 -4.203 -2.607 2.655 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.551 -4.836 4.090 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.059 -4.819 3.711 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.989 -3.345 4.657 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.255 -6.804 5.278 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.312 -5.717 8.807 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.823 -7.502 7.750 1.00 0.00 H new ATOM 590 N PRO A 43 -6.640 -3.147 5.742 1.00 0.00 N ATOM 591 CA PRO A 43 -7.260 -2.143 6.592 1.00 0.00 C ATOM 592 C PRO A 43 -6.249 -1.484 7.536 1.00 0.00 C ATOM 593 O PRO A 43 -6.442 -0.333 7.918 1.00 0.00 O ATOM 594 CB PRO A 43 -8.366 -2.869 7.360 1.00 0.00 C ATOM 595 CG PRO A 43 -7.951 -4.342 7.304 1.00 0.00 C ATOM 596 CD PRO A 43 -7.229 -4.459 5.963 1.00 0.00 C ATOM 0 HA PRO A 43 -7.665 -1.324 5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.438 -2.513 8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.341 -2.711 6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.298 -4.607 8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.815 -5.005 7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.465 -5.236 5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.921 -4.722 5.163 1.00 0.00 H new ATOM 604 N ALA A 44 -5.172 -2.192 7.898 1.00 0.00 N ATOM 605 CA ALA A 44 -4.140 -1.677 8.780 1.00 0.00 C ATOM 606 C ALA A 44 -2.907 -1.182 8.014 1.00 0.00 C ATOM 607 O ALA A 44 -1.844 -1.086 8.625 1.00 0.00 O ATOM 608 CB ALA A 44 -3.766 -2.758 9.799 1.00 0.00 C ATOM 0 H ALA A 44 -4.999 -3.145 7.579 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.538 -0.806 9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.991 -2.378 10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.646 -3.028 10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.394 -3.639 9.275 1.00 0.00 H new ATOM 614 N SER A 45 -3.010 -0.871 6.709 1.00 0.00 N ATOM 615 CA SER A 45 -1.894 -0.299 5.968 1.00 0.00 C ATOM 616 C SER A 45 -1.418 0.937 6.744 1.00 0.00 C ATOM 617 O SER A 45 -2.170 1.897 6.893 1.00 0.00 O ATOM 618 CB SER A 45 -2.337 0.081 4.550 1.00 0.00 C ATOM 619 OG SER A 45 -2.721 -1.042 3.777 1.00 0.00 O ATOM 0 H SER A 45 -3.856 -1.009 6.156 1.00 0.00 H new ATOM 0 HA SER A 45 -1.082 -1.019 5.870 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.172 0.778 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.522 0.602 4.047 1.00 0.00 H new ATOM 0 HG SER A 45 -3.648 -1.282 3.987 1.00 0.00 H new ATOM 625 N HIS A 46 -0.184 0.908 7.254 1.00 0.00 N ATOM 626 CA HIS A 46 0.319 1.924 8.177 1.00 0.00 C ATOM 627 C HIS A 46 0.255 3.339 7.627 1.00 0.00 C ATOM 628 O HIS A 46 0.444 3.546 6.425 1.00 0.00 O ATOM 629 CB HIS A 46 1.770 1.653 8.603 1.00 0.00 C ATOM 630 CG HIS A 46 2.143 0.206 8.559 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.481 -0.417 7.354 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.997 -0.730 9.538 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.577 -1.711 7.680 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.292 -1.952 8.971 1.00 0.00 N ATOM 0 H HIS A 46 0.494 0.178 7.037 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.350 1.852 9.035 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.442 2.213 7.953 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.919 2.028 9.615 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.706 -0.550 10.562 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.855 -2.483 6.978 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.294 -2.859 9.439 1.00 0.00 H new ATOM 642 N LYS A 47 0.096 4.295 8.543 1.00 0.00 N ATOM 643 CA LYS A 47 0.104 5.720 8.267 1.00 0.00 C ATOM 644 C LYS A 47 1.318 6.098 7.407 1.00 0.00 C ATOM 645 O LYS A 47 2.315 5.376 7.379 1.00 0.00 O ATOM 646 CB LYS A 47 0.147 6.448 9.620 1.00 0.00 C ATOM 647 CG LYS A 47 -0.217 7.934 9.556 1.00 0.00 C ATOM 648 CD LYS A 47 -1.639 8.101 9.008 1.00 0.00 C ATOM 649 CE LYS A 47 -2.219 9.470 9.380 1.00 0.00 C ATOM 650 NZ LYS A 47 -1.400 10.571 8.840 1.00 0.00 N ATOM 0 H LYS A 47 -0.047 4.084 9.531 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.787 6.007 7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.536 5.949 10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.149 6.350 10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.147 8.377 10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.492 8.464 8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.629 7.990 7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.279 7.312 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.236 9.551 8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.278 9.558 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.882 11.477 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.474 10.579 9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.265 10.435 7.818 1.00 0.00 H new ATOM 664 N ILE A 48 1.233 7.213 6.680 1.00 0.00 N ATOM 665 CA ILE A 48 2.320 7.734 5.860 1.00 0.00 C ATOM 666 C ILE A 48 2.757 9.036 6.542 1.00 0.00 C ATOM 667 O ILE A 48 1.879 9.825 6.897 1.00 0.00 O ATOM 668 CB ILE A 48 1.839 7.984 4.414 1.00 0.00 C ATOM 669 CG1 ILE A 48 1.003 6.807 3.876 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.048 8.235 3.503 1.00 0.00 C ATOM 671 CD1 ILE A 48 0.545 6.996 2.426 1.00 0.00 C ATOM 0 H ILE A 48 0.391 7.787 6.646 1.00 0.00 H new ATOM 0 HA ILE A 48 3.150 7.031 5.784 1.00 0.00 H new ATOM 0 HB ILE A 48 1.196 8.864 4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.591 5.892 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.127 6.673 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.705 8.411 2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.596 9.108 3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.703 7.364 3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.038 6.130 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.070 7.893 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.417 7.099 1.780 1.00 0.00 H new ATOM 683 N PRO A 49 4.057 9.298 6.752 1.00 0.00 N ATOM 684 CA PRO A 49 5.197 8.473 6.380 1.00 0.00 C ATOM 685 C PRO A 49 5.502 7.421 7.453 1.00 0.00 C ATOM 686 O PRO A 49 5.513 7.726 8.643 1.00 0.00 O ATOM 687 CB PRO A 49 6.352 9.467 6.262 1.00 0.00 C ATOM 688 CG PRO A 49 6.035 10.512 7.332 1.00 0.00 C ATOM 689 CD PRO A 49 4.505 10.548 7.349 1.00 0.00 C ATOM 0 HA PRO A 49 5.017 7.917 5.460 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.314 8.987 6.442 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.399 9.912 5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.441 10.229 8.303 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.457 11.485 7.081 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.130 10.648 8.368 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.131 11.403 6.786 1.00 0.00 H new ATOM 697 N PHE A 50 5.769 6.185 7.029 1.00 0.00 N ATOM 698 CA PHE A 50 6.149 5.081 7.895 1.00 0.00 C ATOM 699 C PHE A 50 7.666 4.912 7.840 1.00 0.00 C ATOM 700 O PHE A 50 8.221 4.404 6.861 1.00 0.00 O ATOM 701 CB PHE A 50 5.430 3.803 7.461 1.00 0.00 C ATOM 702 CG PHE A 50 5.598 2.636 8.412 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.842 2.581 9.597 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.488 1.593 8.103 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.936 1.461 10.442 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.585 0.475 8.949 1.00 0.00 C ATOM 707 CZ PHE A 50 5.800 0.403 10.112 1.00 0.00 C ATOM 0 H PHE A 50 5.724 5.923 6.044 1.00 0.00 H new ATOM 0 HA PHE A 50 5.855 5.291 8.923 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.367 4.018 7.353 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.797 3.510 6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.188 3.400 9.858 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.098 1.651 7.214 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.344 1.414 11.344 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.263 -0.329 8.705 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.861 -0.465 10.752 1.00 0.00 H new ATOM 717 N SER A 51 8.341 5.345 8.905 1.00 0.00 N ATOM 718 CA SER A 51 9.784 5.292 9.057 1.00 0.00 C ATOM 719 C SER A 51 10.302 3.863 9.278 1.00 0.00 C ATOM 720 O SER A 51 11.016 3.624 10.250 1.00 0.00 O ATOM 721 CB SER A 51 10.166 6.200 10.232 1.00 0.00 C ATOM 722 OG SER A 51 9.502 7.444 10.100 1.00 0.00 O ATOM 0 H SER A 51 7.874 5.757 9.713 1.00 0.00 H new ATOM 0 HA SER A 51 10.251 5.637 8.135 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.892 5.727 11.175 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.245 6.352 10.253 1.00 0.00 H new ATOM 0 HG SER A 51 9.744 8.025 10.851 1.00 0.00 H new ATOM 728 N GLY A 52 9.976 2.909 8.401 1.00 0.00 N ATOM 729 CA GLY A 52 10.449 1.543 8.553 1.00 0.00 C ATOM 730 C GLY A 52 9.986 0.627 7.423 1.00 0.00 C ATOM 731 O GLY A 52 9.357 1.065 6.462 1.00 0.00 O ATOM 0 H GLY A 52 9.387 3.064 7.582 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.538 1.543 8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.096 1.145 9.505 1.00 0.00 H new ATOM 735 N GLN A 53 10.291 -0.663 7.574 1.00 0.00 N ATOM 736 CA GLN A 53 9.956 -1.722 6.637 1.00 0.00 C ATOM 737 C GLN A 53 8.490 -2.124 6.843 1.00 0.00 C ATOM 738 O GLN A 53 8.158 -2.674 7.892 1.00 0.00 O ATOM 739 CB GLN A 53 10.872 -2.924 6.936 1.00 0.00 C ATOM 740 CG GLN A 53 12.371 -2.676 6.698 1.00 0.00 C ATOM 741 CD GLN A 53 12.730 -2.705 5.217 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.904 -3.773 4.637 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.785 -1.544 4.576 1.00 0.00 N ATOM 0 H GLN A 53 10.800 -1.006 8.389 1.00 0.00 H new ATOM 0 HA GLN A 53 10.094 -1.390 5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.729 -3.221 7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.556 -3.765 6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.649 -1.710 7.119 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.951 -3.433 7.226 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.636 -0.673 5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.976 -1.523 3.574 1.00 0.00 H new ATOM 752 N ARG A 54 7.594 -1.845 5.889 1.00 0.00 N ATOM 753 CA ARG A 54 6.193 -2.220 6.050 1.00 0.00 C ATOM 754 C ARG A 54 6.024 -3.725 5.865 1.00 0.00 C ATOM 755 O ARG A 54 6.363 -4.274 4.818 1.00 0.00 O ATOM 756 CB ARG A 54 5.289 -1.486 5.061 1.00 0.00 C ATOM 757 CG ARG A 54 5.345 0.027 5.271 1.00 0.00 C ATOM 758 CD ARG A 54 4.571 0.721 4.154 1.00 0.00 C ATOM 759 NE ARG A 54 4.349 2.141 4.458 1.00 0.00 N ATOM 760 CZ ARG A 54 3.230 2.616 5.023 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.300 1.774 5.477 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.036 3.927 5.150 1.00 0.00 N ATOM 0 H ARG A 54 7.813 -1.369 5.014 1.00 0.00 H new ATOM 0 HA ARG A 54 5.897 -1.934 7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.593 -1.725 4.042 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.262 -1.833 5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.919 0.287 6.240 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.381 0.367 5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.121 0.630 3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.612 0.224 4.011 1.00 0.00 H new ATOM 0 HE ARG A 54 5.089 2.804 4.226 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.440 0.767 5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.449 2.137 5.907 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.743 4.582 4.816 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.180 4.276 5.582 1.00 0.00 H new ATOM 776 N MET A 55 5.469 -4.387 6.880 1.00 0.00 N ATOM 777 CA MET A 55 5.200 -5.814 6.843 1.00 0.00 C ATOM 778 C MET A 55 4.113 -6.103 5.803 1.00 0.00 C ATOM 779 O MET A 55 4.199 -7.073 5.054 1.00 0.00 O ATOM 780 CB MET A 55 4.771 -6.308 8.234 1.00 0.00 C ATOM 781 CG MET A 55 5.854 -6.119 9.311 1.00 0.00 C ATOM 782 SD MET A 55 6.009 -4.469 10.055 1.00 0.00 S ATOM 783 CE MET A 55 4.569 -4.463 11.146 1.00 0.00 C ATOM 0 H MET A 55 5.194 -3.940 7.754 1.00 0.00 H new ATOM 0 HA MET A 55 6.107 -6.347 6.559 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.870 -5.776 8.538 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.511 -7.365 8.172 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.662 -6.833 10.112 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.816 -6.383 8.872 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.520 -3.513 11.679 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.663 -4.594 10.554 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.654 -5.278 11.865 1.00 0.00 H new ATOM 793 N HIS A 56 3.076 -5.260 5.778 1.00 0.00 N ATOM 794 CA HIS A 56 1.956 -5.404 4.860 1.00 0.00 C ATOM 795 C HIS A 56 2.397 -5.213 3.411 1.00 0.00 C ATOM 796 O HIS A 56 3.332 -4.470 3.114 1.00 0.00 O ATOM 797 CB HIS A 56 0.829 -4.429 5.218 1.00 0.00 C ATOM 798 CG HIS A 56 0.306 -4.601 6.618 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.089 -3.504 7.375 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.158 -5.736 7.371 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.484 -4.016 8.541 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.346 -5.350 8.595 1.00 0.00 N ATOM 0 H HIS A 56 2.995 -4.456 6.400 1.00 0.00 H new ATOM 0 HA HIS A 56 1.574 -6.420 4.960 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.191 -3.408 5.097 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.008 -4.561 4.513 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.392 -6.744 7.063 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.873 -3.421 9.354 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.569 -5.957 9.384 1.00 0.00 H new ATOM 810 N HIS A 57 1.671 -5.870 2.506 1.00 0.00 N ATOM 811 CA HIS A 57 1.957 -5.879 1.081 1.00 0.00 C ATOM 812 C HIS A 57 1.201 -4.786 0.327 1.00 0.00 C ATOM 813 O HIS A 57 1.100 -4.840 -0.896 1.00 0.00 O ATOM 814 CB HIS A 57 1.556 -7.255 0.539 1.00 0.00 C ATOM 815 CG HIS A 57 2.284 -7.679 -0.705 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.295 -9.018 -1.079 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.009 -6.964 -1.626 1.00 0.00 C ATOM 818 CE1 HIS A 57 3.114 -9.051 -2.126 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.673 -7.874 -2.400 1.00 0.00 N ATOM 0 H HIS A 57 0.850 -6.422 2.755 1.00 0.00 H new ATOM 0 HA HIS A 57 3.019 -5.682 0.933 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.728 -8.000 1.316 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.486 -7.251 0.333 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.792 -9.795 -0.650 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.047 -5.889 -1.721 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.307 -9.946 -2.699 1.00 0.00 H new ATOM 827 N THR A 58 0.626 -3.811 1.030 1.00 0.00 N ATOM 828 CA THR A 58 -0.175 -2.783 0.397 1.00 0.00 C ATOM 829 C THR A 58 0.110 -1.441 1.050 1.00 0.00 C ATOM 830 O THR A 58 0.474 -1.381 2.225 1.00 0.00 O ATOM 831 CB THR A 58 -1.663 -3.154 0.512 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.078 -3.203 1.869 1.00 0.00 O ATOM 833 CG2 THR A 58 -1.953 -4.524 -0.127 1.00 0.00 C ATOM 0 H THR A 58 0.705 -3.718 2.043 1.00 0.00 H new ATOM 0 HA THR A 58 0.080 -2.707 -0.660 1.00 0.00 H new ATOM 0 HB THR A 58 -2.216 -2.378 -0.017 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.219 -2.292 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.014 -4.755 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.685 -4.497 -1.183 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.366 -5.292 0.377 1.00 0.00 H new ATOM 841 N CYS A 59 -0.077 -0.370 0.283 1.00 0.00 N ATOM 842 CA CYS A 59 0.062 0.991 0.760 1.00 0.00 C ATOM 843 C CYS A 59 -1.336 1.509 1.046 1.00 0.00 C ATOM 844 O CYS A 59 -2.290 1.010 0.446 1.00 0.00 O ATOM 845 CB CYS A 59 0.714 1.865 -0.316 1.00 0.00 C ATOM 846 SG CYS A 59 2.451 1.504 -0.615 1.00 0.00 S ATOM 0 H CYS A 59 -0.333 -0.431 -0.702 1.00 0.00 H new ATOM 0 HA CYS A 59 0.688 1.020 1.652 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.164 1.742 -1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.618 2.911 -0.025 1.00 0.00 H new ATOM 851 N PRO A 60 -1.493 2.483 1.955 1.00 0.00 N ATOM 852 CA PRO A 60 -2.794 3.063 2.193 1.00 0.00 C ATOM 853 C PRO A 60 -3.354 3.635 0.900 1.00 0.00 C ATOM 854 O PRO A 60 -2.623 3.951 -0.041 1.00 0.00 O ATOM 855 CB PRO A 60 -2.608 4.175 3.220 1.00 0.00 C ATOM 856 CG PRO A 60 -1.322 3.771 3.921 1.00 0.00 C ATOM 857 CD PRO A 60 -0.501 3.086 2.828 1.00 0.00 C ATOM 0 HA PRO A 60 -3.494 2.311 2.558 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.521 5.153 2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.447 4.230 3.914 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.800 4.637 4.327 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.517 3.097 4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.119 3.802 2.289 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.169 2.335 3.246 1.00 0.00 H new ATOM 865 N CYS A 61 -4.669 3.779 0.888 1.00 0.00 N ATOM 866 CA CYS A 61 -5.381 4.328 -0.249 1.00 0.00 C ATOM 867 C CYS A 61 -4.984 5.792 -0.373 1.00 0.00 C ATOM 868 O CYS A 61 -4.833 6.471 0.643 1.00 0.00 O ATOM 869 CB CYS A 61 -6.883 4.119 -0.067 1.00 0.00 C ATOM 870 SG CYS A 61 -7.375 2.387 0.092 1.00 0.00 S ATOM 0 H CYS A 61 -5.272 3.518 1.668 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.119 3.823 -1.179 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.209 4.661 0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.405 4.557 -0.918 1.00 0.00 H new ATOM 875 N ALA A 62 -4.751 6.269 -1.600 1.00 0.00 N ATOM 876 CA ALA A 62 -4.344 7.649 -1.811 1.00 0.00 C ATOM 877 C ALA A 62 -5.359 8.563 -1.122 1.00 0.00 C ATOM 878 O ALA A 62 -6.546 8.283 -1.218 1.00 0.00 O ATOM 879 CB ALA A 62 -4.232 7.966 -3.298 1.00 0.00 C ATOM 0 H ALA A 62 -4.839 5.718 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.356 7.812 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.926 9.004 -3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.491 7.310 -3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.199 7.811 -3.777 1.00 0.00 H new ATOM 885 N PRO A 63 -4.918 9.641 -0.463 1.00 0.00 N ATOM 886 CA PRO A 63 -5.713 10.537 0.370 1.00 0.00 C ATOM 887 C PRO A 63 -7.232 10.678 0.153 1.00 0.00 C ATOM 888 O PRO A 63 -7.964 10.724 1.139 1.00 0.00 O ATOM 889 CB PRO A 63 -4.943 11.856 0.361 1.00 0.00 C ATOM 890 CG PRO A 63 -3.489 11.367 0.366 1.00 0.00 C ATOM 891 CD PRO A 63 -3.519 10.044 -0.411 1.00 0.00 C ATOM 0 HA PRO A 63 -5.799 10.071 1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.170 12.456 -0.520 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.172 12.469 1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.827 12.090 -0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.124 11.221 1.383 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.112 10.171 -1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.913 9.286 0.085 1.00 0.00 H new ATOM 899 N ASN A 64 -7.740 10.779 -1.079 1.00 0.00 N ATOM 900 CA ASN A 64 -9.187 10.860 -1.304 1.00 0.00 C ATOM 901 C ASN A 64 -9.865 9.495 -1.119 1.00 0.00 C ATOM 902 O ASN A 64 -10.968 9.402 -0.592 1.00 0.00 O ATOM 903 CB ASN A 64 -9.464 11.383 -2.724 1.00 0.00 C ATOM 904 CG ASN A 64 -10.869 11.031 -3.207 1.00 0.00 C ATOM 905 OD1 ASN A 64 -11.036 10.243 -4.133 1.00 0.00 O ATOM 906 ND2 ASN A 64 -11.871 11.595 -2.552 1.00 0.00 N ATOM 0 H ASN A 64 -7.177 10.806 -1.929 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.602 11.547 -0.566 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.337 12.465 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.730 10.965 -3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.834 11.381 -2.810 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.680 12.244 -1.789 1.00 0.00 H new ATOM 913 N LEU A 65 -9.210 8.447 -1.608 1.00 0.00 N ATOM 914 CA LEU A 65 -9.723 7.089 -1.666 1.00 0.00 C ATOM 915 C LEU A 65 -9.831 6.453 -0.278 1.00 0.00 C ATOM 916 O LEU A 65 -9.152 6.866 0.660 1.00 0.00 O ATOM 917 CB LEU A 65 -8.801 6.260 -2.571 1.00 0.00 C ATOM 918 CG LEU A 65 -8.618 6.823 -3.988 1.00 0.00 C ATOM 919 CD1 LEU A 65 -7.578 5.980 -4.721 1.00 0.00 C ATOM 920 CD2 LEU A 65 -9.918 6.798 -4.786 1.00 0.00 C ATOM 0 H LEU A 65 -8.268 8.528 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.733 7.113 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.823 6.182 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.201 5.249 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.296 7.861 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.439 6.370 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.631 6.021 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.920 4.947 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.742 7.205 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.273 5.771 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.670 7.400 -4.276 1.00 0.00 H new ATOM 932 N ALA A 66 -10.665 5.414 -0.162 1.00 0.00 N ATOM 933 CA ALA A 66 -10.916 4.677 1.069 1.00 0.00 C ATOM 934 C ALA A 66 -10.812 3.173 0.813 1.00 0.00 C ATOM 935 O ALA A 66 -11.159 2.697 -0.269 1.00 0.00 O ATOM 936 CB ALA A 66 -12.306 5.041 1.596 1.00 0.00 C ATOM 0 H ALA A 66 -11.199 5.055 -0.953 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.169 4.945 1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.501 4.493 2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.351 6.112 1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.058 4.778 0.852 1.00 0.00 H new ATOM 942 N CYS A 67 -10.335 2.426 1.816 1.00 0.00 N ATOM 943 CA CYS A 67 -10.174 0.979 1.737 1.00 0.00 C ATOM 944 C CYS A 67 -11.518 0.300 2.010 1.00 0.00 C ATOM 945 O CYS A 67 -11.907 0.152 3.170 1.00 0.00 O ATOM 946 CB CYS A 67 -9.108 0.504 2.734 1.00 0.00 C ATOM 947 SG CYS A 67 -8.754 -1.253 2.553 1.00 0.00 S ATOM 0 H CYS A 67 -10.048 2.819 2.713 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.840 0.707 0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.192 1.076 2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.447 0.703 3.751 1.00 0.00 H new ATOM 952 N VAL A 68 -12.235 -0.097 0.955 1.00 0.00 N ATOM 953 CA VAL A 68 -13.559 -0.698 1.063 1.00 0.00 C ATOM 954 C VAL A 68 -13.466 -2.215 0.948 1.00 0.00 C ATOM 955 O VAL A 68 -12.603 -2.777 0.275 1.00 0.00 O ATOM 956 CB VAL A 68 -14.527 -0.089 0.036 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.959 -0.619 0.195 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.570 1.441 0.169 1.00 0.00 C ATOM 0 H VAL A 68 -11.905 -0.007 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.968 -0.473 2.048 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.149 -0.380 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.603 -0.158 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.964 -1.701 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.329 -0.375 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.261 1.851 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.905 1.710 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.574 1.849 -0.002 1.00 0.00 H new ATOM 968 N GLN A 69 -14.393 -2.863 1.641 1.00 0.00 N ATOM 969 CA GLN A 69 -14.474 -4.286 1.855 1.00 0.00 C ATOM 970 C GLN A 69 -15.155 -4.968 0.675 1.00 0.00 C ATOM 971 O GLN A 69 -16.376 -4.911 0.554 1.00 0.00 O ATOM 972 CB GLN A 69 -15.267 -4.529 3.152 1.00 0.00 C ATOM 973 CG GLN A 69 -14.646 -3.933 4.428 1.00 0.00 C ATOM 974 CD GLN A 69 -14.352 -2.438 4.352 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.251 -1.642 4.102 1.00 0.00 O ATOM 976 NE2 GLN A 69 -13.080 -2.063 4.437 1.00 0.00 N ATOM 0 H GLN A 69 -15.158 -2.365 2.097 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.473 -4.708 1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.268 -4.116 3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.381 -5.604 3.292 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.321 -4.115 5.264 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.718 -4.462 4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.358 -2.752 4.647 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.826 -1.086 4.293 1.00 0.00 H new ATOM 985 N THR A 70 -14.376 -5.642 -0.171 1.00 0.00 N ATOM 986 CA THR A 70 -14.898 -6.371 -1.314 1.00 0.00 C ATOM 987 C THR A 70 -15.016 -7.859 -0.976 1.00 0.00 C ATOM 988 O THR A 70 -15.932 -8.524 -1.460 1.00 0.00 O ATOM 989 CB THR A 70 -14.036 -6.064 -2.543 1.00 0.00 C ATOM 990 OG1 THR A 70 -12.660 -5.972 -2.217 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.459 -4.698 -3.095 1.00 0.00 C ATOM 0 H THR A 70 -13.362 -5.694 -0.077 1.00 0.00 H new ATOM 0 HA THR A 70 -15.909 -6.048 -1.560 1.00 0.00 H new ATOM 0 HB THR A 70 -14.178 -6.872 -3.261 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.418 -6.701 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.858 -4.458 -3.972 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.512 -4.729 -3.374 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.308 -3.935 -2.332 1.00 0.00 H new ATOM 999 N SER A 71 -14.122 -8.405 -0.146 1.00 0.00 N ATOM 1000 CA SER A 71 -14.227 -9.765 0.369 1.00 0.00 C ATOM 1001 C SER A 71 -13.442 -9.787 1.686 1.00 0.00 C ATOM 1002 O SER A 71 -12.695 -8.839 1.931 1.00 0.00 O ATOM 1003 CB SER A 71 -13.709 -10.796 -0.648 1.00 0.00 C ATOM 1004 OG SER A 71 -14.107 -10.478 -1.968 1.00 0.00 O ATOM 0 H SER A 71 -13.298 -7.906 0.188 1.00 0.00 H new ATOM 0 HA SER A 71 -15.266 -10.045 0.544 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.621 -10.841 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.082 -11.786 -0.384 1.00 0.00 H new ATOM 0 HG SER A 71 -13.759 -11.154 -2.586 1.00 0.00 H new ATOM 1010 N PRO A 72 -13.601 -10.801 2.553 1.00 0.00 N ATOM 1011 CA PRO A 72 -12.871 -10.877 3.811 1.00 0.00 C ATOM 1012 C PRO A 72 -11.372 -10.677 3.574 1.00 0.00 C ATOM 1013 O PRO A 72 -10.787 -11.398 2.768 1.00 0.00 O ATOM 1014 CB PRO A 72 -13.190 -12.260 4.387 1.00 0.00 C ATOM 1015 CG PRO A 72 -14.580 -12.547 3.819 1.00 0.00 C ATOM 1016 CD PRO A 72 -14.496 -11.939 2.419 1.00 0.00 C ATOM 0 HA PRO A 72 -13.164 -10.094 4.510 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.462 -13.008 4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.191 -12.254 5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -14.792 -13.616 3.785 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.366 -12.085 4.416 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.111 -12.661 1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.479 -11.628 2.065 1.00 0.00 H new ATOM 1024 N LYS A 73 -10.774 -9.664 4.212 1.00 0.00 N ATOM 1025 CA LYS A 73 -9.373 -9.274 4.084 1.00 0.00 C ATOM 1026 C LYS A 73 -9.067 -8.620 2.726 1.00 0.00 C ATOM 1027 O LYS A 73 -8.364 -7.610 2.673 1.00 0.00 O ATOM 1028 CB LYS A 73 -8.438 -10.456 4.389 1.00 0.00 C ATOM 1029 CG LYS A 73 -7.022 -9.974 4.732 1.00 0.00 C ATOM 1030 CD LYS A 73 -6.021 -11.135 4.835 1.00 0.00 C ATOM 1031 CE LYS A 73 -6.401 -12.200 5.873 1.00 0.00 C ATOM 1032 NZ LYS A 73 -6.577 -11.624 7.219 1.00 0.00 N ATOM 0 H LYS A 73 -11.284 -9.067 4.863 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.181 -8.507 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.839 -11.034 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.399 -11.123 3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.684 -9.272 3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.044 -9.431 5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.931 -11.611 3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.039 -10.733 5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.324 -12.692 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.627 -12.967 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.800 -12.383 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.700 -11.147 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.356 -10.935 7.203 1.00 0.00 H new ATOM 1046 N LYS A 74 -9.570 -9.187 1.626 1.00 0.00 N ATOM 1047 CA LYS A 74 -9.349 -8.680 0.285 1.00 0.00 C ATOM 1048 C LYS A 74 -10.213 -7.433 0.104 1.00 0.00 C ATOM 1049 O LYS A 74 -11.322 -7.482 -0.436 1.00 0.00 O ATOM 1050 CB LYS A 74 -9.630 -9.793 -0.736 1.00 0.00 C ATOM 1051 CG LYS A 74 -8.961 -9.585 -2.102 1.00 0.00 C ATOM 1052 CD LYS A 74 -9.522 -8.381 -2.872 1.00 0.00 C ATOM 1053 CE LYS A 74 -8.946 -8.309 -4.290 1.00 0.00 C ATOM 1054 NZ LYS A 74 -9.412 -9.421 -5.138 1.00 0.00 N ATOM 0 H LYS A 74 -10.151 -10.025 1.652 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.313 -8.383 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.293 -10.743 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.707 -9.872 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.889 -9.449 -1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.090 -10.485 -2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.608 -8.453 -2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.288 -7.462 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.230 -7.362 -4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.857 -8.325 -4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.198 -9.211 -6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.928 -10.298 -4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.439 -9.540 -5.022 1.00 0.00 H new ATOM 1068 N PHE A 75 -9.699 -6.311 0.602 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.318 -5.001 0.504 1.00 0.00 C ATOM 1070 C PHE A 75 -9.632 -4.261 -0.648 1.00 0.00 C ATOM 1071 O PHE A 75 -8.480 -4.558 -0.969 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.142 -4.246 1.828 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.730 -4.856 3.093 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -11.520 -6.022 3.065 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.515 -4.204 4.321 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -12.049 -6.552 4.252 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.058 -4.727 5.508 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.779 -5.932 5.482 1.00 0.00 C ATOM 0 H PHE A 75 -8.810 -6.293 1.101 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.388 -5.080 0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.073 -4.108 1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.577 -3.254 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.720 -6.512 2.123 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.930 -3.297 4.352 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.665 -7.439 4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.920 -4.201 6.441 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.124 -6.379 6.403 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.327 -3.315 -1.282 1.00 0.00 N ATOM 1089 CA LYS A 76 -9.795 -2.535 -2.392 1.00 0.00 C ATOM 1090 C LYS A 76 -9.996 -1.043 -2.147 1.00 0.00 C ATOM 1091 O LYS A 76 -10.921 -0.628 -1.449 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.430 -2.966 -3.722 1.00 0.00 C ATOM 1093 CG LYS A 76 -9.845 -4.300 -4.204 1.00 0.00 C ATOM 1094 CD LYS A 76 -10.211 -4.599 -5.665 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.677 -4.984 -5.879 1.00 0.00 C ATOM 1096 NZ LYS A 76 -12.049 -6.185 -5.113 1.00 0.00 N ATOM 0 H LYS A 76 -11.285 -3.069 -1.034 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.724 -2.726 -2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.509 -3.061 -3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.261 -2.197 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.760 -4.278 -4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.210 -5.106 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.985 -3.722 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.578 -5.409 -6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.317 -4.153 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.854 -5.161 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.997 -6.500 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.361 -6.942 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.052 -5.962 -4.097 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.104 -0.236 -2.719 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.142 1.211 -2.604 1.00 0.00 C ATOM 1112 C CYS A 77 -10.171 1.751 -3.585 1.00 0.00 C ATOM 1113 O CYS A 77 -9.950 1.687 -4.794 1.00 0.00 O ATOM 1114 CB CYS A 77 -7.756 1.797 -2.881 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.545 1.468 -1.584 1.00 0.00 S ATOM 0 H CYS A 77 -8.326 -0.579 -3.282 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.427 1.500 -1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.384 1.392 -3.822 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.849 2.875 -3.012 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.301 2.253 -3.083 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.378 2.808 -3.869 1.00 0.00 C ATOM 1122 C LEU A 78 -12.525 4.294 -3.538 1.00 0.00 C ATOM 1123 O LEU A 78 -11.856 4.828 -2.653 1.00 0.00 O ATOM 1124 CB LEU A 78 -13.668 2.046 -3.541 1.00 0.00 C ATOM 1125 CG LEU A 78 -13.976 0.802 -4.394 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -14.047 1.112 -5.895 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -13.001 -0.352 -4.144 1.00 0.00 C ATOM 0 H LEU A 78 -11.487 2.280 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.169 2.709 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.625 1.739 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.505 2.738 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.965 0.481 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.267 0.197 -6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.834 1.844 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.091 1.515 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.271 -1.199 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.987 -0.030 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.050 -0.649 -3.096 1.00 0.00 H new ATOM 1139 N SER A 79 -13.410 4.956 -4.279 1.00 0.00 N ATOM 1140 CA SER A 79 -13.692 6.378 -4.165 1.00 0.00 C ATOM 1141 C SER A 79 -14.441 6.720 -2.876 1.00 0.00 C ATOM 1142 O SER A 79 -15.022 5.845 -2.234 1.00 0.00 O ATOM 1143 CB SER A 79 -14.503 6.810 -5.390 1.00 0.00 C ATOM 1144 OG SER A 79 -13.941 6.237 -6.557 1.00 0.00 O ATOM 0 H SER A 79 -13.968 4.498 -4.999 1.00 0.00 H new ATOM 0 HA SER A 79 -12.747 6.919 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.541 6.495 -5.281 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.507 7.897 -5.472 1.00 0.00 H new ATOM 0 HG SER A 79 -14.462 6.513 -7.340 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.439 8.007 -2.533 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.099 8.620 -1.400 1.00 0.00 C ATOM 1152 C LYS A 80 -15.072 10.120 -1.718 1.00 0.00 C ATOM 1153 O LYS A 80 -15.819 10.875 -1.062 1.00 0.00 O ATOM 1154 CB LYS A 80 -14.355 8.258 -0.104 1.00 0.00 C ATOM 1155 CG LYS A 80 -14.972 8.918 1.134 1.00 0.00 C ATOM 1156 CD LYS A 80 -14.267 8.431 2.406 1.00 0.00 C ATOM 1157 CE LYS A 80 -14.845 9.093 3.663 1.00 0.00 C ATOM 1158 NZ LYS A 80 -14.642 10.553 3.659 1.00 0.00 N ATOM 1159 OXT LYS A 80 -14.307 10.475 -2.650 1.00 0.00 O ATOM 0 H LYS A 80 -13.933 8.696 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.122 8.279 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.362 7.176 0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.312 8.562 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.888 10.002 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.035 8.684 1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.367 7.349 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.201 8.648 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.911 8.875 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.375 8.664 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.874 10.938 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.649 10.765 3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.259 10.987 2.943 1.00 0.00 H new