USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 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 Single : A 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0289) USER MOD Single : A 10 HIS : no HD1:sc= -0.215 X(o=-0.21,f=-0.42) USER MOD Single : A 12 ASN : amide:sc=-0.00731 K(o=-0.0073,f=-4.3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc=-0.00242 (180deg=-0.129) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.25) USER MOD Single : A 27 GLN : amide:sc= -0.018 X(o=-0.018,f=-0.28) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= -0.242 (180deg=-0.696) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00452) USER MOD Single : A 31 GLN : amide:sc=-0.00967 X(o=-0.0097,f=-0.0097) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -83:sc= -0.989 USER MOD Single : A 43 ASN : amide:sc= -0.275 K(o=-0.28,f=-4.3!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0183 K(o=-0.018,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ -139:sc= 0.00312 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -13.562 -4.778 -1.273 1.00 0.00 N ATOM 35 CA LEU A 3 -12.362 -4.858 -0.438 1.00 0.00 C ATOM 36 C LEU A 3 -11.619 -6.191 -0.655 1.00 0.00 C ATOM 37 O LEU A 3 -11.699 -7.094 0.179 1.00 0.00 O ATOM 38 CB LEU A 3 -12.732 -4.655 1.045 1.00 0.00 C ATOM 39 CG LEU A 3 -13.491 -3.346 1.357 1.00 0.00 C ATOM 40 CD1 LEU A 3 -15.016 -3.548 1.367 1.00 0.00 C ATOM 41 CD2 LEU A 3 -13.064 -2.784 2.724 1.00 0.00 C ATOM 0 HA LEU A 3 -11.682 -4.059 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.343 -5.497 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.818 -4.677 1.638 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.236 -2.644 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.507 -2.601 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.342 -3.904 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.281 -4.282 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -13.610 -1.862 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.285 -3.514 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.994 -2.577 2.714 1.00 0.00 H new ATOM 53 N ARG A 4 -10.886 -6.314 -1.771 1.00 0.00 N ATOM 54 CA ARG A 4 -10.151 -7.499 -2.159 1.00 0.00 C ATOM 55 C ARG A 4 -8.992 -7.868 -1.231 1.00 0.00 C ATOM 56 O ARG A 4 -8.500 -7.053 -0.448 1.00 0.00 O ATOM 57 CB ARG A 4 -9.706 -7.354 -3.621 1.00 0.00 C ATOM 58 CG ARG A 4 -10.755 -6.730 -4.565 1.00 0.00 C ATOM 59 CD ARG A 4 -10.471 -7.016 -6.048 1.00 0.00 C ATOM 60 NE ARG A 4 -10.730 -8.426 -6.390 1.00 0.00 N ATOM 61 CZ ARG A 4 -11.454 -8.903 -7.422 1.00 0.00 C ATOM 62 NH1 ARG A 4 -12.086 -8.095 -8.289 1.00 0.00 N ATOM 63 NH2 ARG A 4 -11.540 -10.230 -7.591 1.00 0.00 N ATOM 0 H ARG A 4 -10.793 -5.555 -2.446 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.831 -8.345 -2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.804 -6.743 -3.651 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.437 -8.339 -4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.742 -7.115 -4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -10.783 -5.652 -4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.093 -6.371 -6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.433 -6.771 -6.274 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.312 -9.123 -5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.027 -7.083 -8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.625 -8.494 -9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.063 -10.858 -6.945 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -12.083 -10.611 -8.366 1.00 0.00 H new ATOM 77 N LYS A 5 -8.564 -9.135 -1.360 1.00 0.00 N ATOM 78 CA LYS A 5 -7.492 -9.763 -0.587 1.00 0.00 C ATOM 79 C LYS A 5 -6.073 -9.344 -0.984 1.00 0.00 C ATOM 80 O LYS A 5 -5.095 -9.985 -0.602 1.00 0.00 O ATOM 81 CB LYS A 5 -7.667 -11.288 -0.638 1.00 0.00 C ATOM 82 CG LYS A 5 -7.471 -11.888 -2.042 1.00 0.00 C ATOM 83 CD LYS A 5 -7.659 -13.413 -2.014 1.00 0.00 C ATOM 84 CE LYS A 5 -7.419 -14.052 -3.390 1.00 0.00 C ATOM 85 NZ LYS A 5 -8.408 -13.614 -4.392 1.00 0.00 N ATOM 0 H LYS A 5 -8.978 -9.774 -2.038 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.591 -9.401 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.956 -11.749 0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.665 -11.542 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.183 -11.442 -2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.474 -11.647 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.973 -13.849 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.669 -13.647 -1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.417 -13.797 -3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.457 -15.137 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.257 -14.135 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.368 -13.803 -4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.298 -12.595 -4.566 1.00 0.00 H new ATOM 99 N LEU A 6 -5.981 -8.272 -1.764 1.00 0.00 N ATOM 100 CA LEU A 6 -4.768 -7.616 -2.211 1.00 0.00 C ATOM 101 C LEU A 6 -4.409 -6.538 -1.182 1.00 0.00 C ATOM 102 O LEU A 6 -3.233 -6.266 -0.949 1.00 0.00 O ATOM 103 CB LEU A 6 -5.036 -7.008 -3.598 1.00 0.00 C ATOM 104 CG LEU A 6 -3.846 -6.625 -4.500 1.00 0.00 C ATOM 105 CD1 LEU A 6 -3.082 -5.393 -4.004 1.00 0.00 C ATOM 106 CD2 LEU A 6 -2.895 -7.805 -4.750 1.00 0.00 C ATOM 0 H LEU A 6 -6.816 -7.809 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.932 -8.311 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.652 -7.717 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.637 -6.111 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.290 -6.352 -5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.258 -5.178 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.756 -4.537 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.688 -5.586 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.075 -7.482 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.496 -8.158 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.439 -8.614 -5.238 1.00 0.00 H new ATOM 118 N CYS A 7 -5.443 -5.970 -0.539 1.00 0.00 N ATOM 119 CA CYS A 7 -5.305 -4.894 0.445 1.00 0.00 C ATOM 120 C CYS A 7 -5.413 -5.395 1.892 1.00 0.00 C ATOM 121 O CYS A 7 -6.043 -4.763 2.739 1.00 0.00 O ATOM 122 CB CYS A 7 -6.308 -3.781 0.121 1.00 0.00 C ATOM 123 SG CYS A 7 -6.174 -3.101 -1.559 1.00 0.00 S ATOM 0 H CYS A 7 -6.411 -6.253 -0.694 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.298 -4.482 0.372 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.317 -4.168 0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.174 -2.971 0.838 1.00 0.00 H new ATOM 128 N ILE A 8 -4.768 -6.536 2.156 1.00 0.00 N ATOM 129 CA ILE A 8 -4.640 -7.219 3.443 1.00 0.00 C ATOM 130 C ILE A 8 -3.213 -7.795 3.558 1.00 0.00 C ATOM 131 O ILE A 8 -2.800 -8.144 4.664 1.00 0.00 O ATOM 132 CB ILE A 8 -5.714 -8.314 3.655 1.00 0.00 C ATOM 133 CG1 ILE A 8 -5.536 -9.488 2.675 1.00 0.00 C ATOM 134 CG2 ILE A 8 -7.126 -7.712 3.545 1.00 0.00 C ATOM 135 CD1 ILE A 8 -6.516 -10.642 2.926 1.00 0.00 C ATOM 0 H ILE A 8 -4.285 -7.044 1.415 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.810 -6.491 4.236 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.585 -8.714 4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.667 -9.124 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.516 -9.864 2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.868 -8.496 3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.253 -6.940 4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.258 -7.273 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.337 -11.436 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.370 -11.031 3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.539 -10.280 2.822 1.00 0.00 H new ATOM 147 N LEU A 9 -2.471 -7.905 2.434 1.00 0.00 N ATOM 148 CA LEU A 9 -1.108 -8.412 2.367 1.00 0.00 C ATOM 149 C LEU A 9 -0.168 -7.340 2.940 1.00 0.00 C ATOM 150 O LEU A 9 0.450 -6.583 2.192 1.00 0.00 O ATOM 151 CB LEU A 9 -0.765 -8.775 0.907 1.00 0.00 C ATOM 152 CG LEU A 9 -1.753 -9.761 0.248 1.00 0.00 C ATOM 153 CD1 LEU A 9 -1.331 -10.022 -1.206 1.00 0.00 C ATOM 154 CD2 LEU A 9 -1.849 -11.093 1.008 1.00 0.00 C ATOM 0 H LEU A 9 -2.831 -7.629 1.520 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.993 -9.321 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.734 -7.860 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.235 -9.207 0.878 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.740 -9.300 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.030 -10.718 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.334 -9.083 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.329 -10.450 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.557 -11.750 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.868 -11.568 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.190 -10.907 2.027 1.00 0.00 H new ATOM 166 N HIS A 10 -0.108 -7.290 4.283 1.00 0.00 N ATOM 167 CA HIS A 10 0.669 -6.405 5.154 1.00 0.00 C ATOM 168 C HIS A 10 1.913 -5.833 4.456 1.00 0.00 C ATOM 169 O HIS A 10 2.866 -6.565 4.198 1.00 0.00 O ATOM 170 CB HIS A 10 1.050 -7.178 6.435 1.00 0.00 C ATOM 171 CG HIS A 10 1.864 -8.436 6.205 1.00 0.00 C ATOM 172 ND1 HIS A 10 3.240 -8.474 6.439 1.00 0.00 N ATOM 173 CD2 HIS A 10 1.462 -9.664 5.747 1.00 0.00 C ATOM 174 CE1 HIS A 10 3.614 -9.708 6.089 1.00 0.00 C ATOM 175 NE2 HIS A 10 2.584 -10.461 5.669 1.00 0.00 N ATOM 0 H HIS A 10 -0.664 -7.940 4.839 1.00 0.00 H new ATOM 0 HA HIS A 10 0.051 -5.544 5.411 1.00 0.00 H new ATOM 0 HB2 HIS A 10 1.614 -6.513 7.089 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.136 -7.446 6.965 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.453 -9.953 5.494 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.633 -10.062 6.138 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.624 -11.431 5.355 1.00 0.00 H new ATOM 183 N ARG A 11 1.902 -4.528 4.146 1.00 0.00 N ATOM 184 CA ARG A 11 3.002 -3.848 3.468 1.00 0.00 C ATOM 185 C ARG A 11 4.343 -4.049 4.193 1.00 0.00 C ATOM 186 O ARG A 11 4.427 -3.953 5.417 1.00 0.00 O ATOM 187 CB ARG A 11 2.690 -2.351 3.294 1.00 0.00 C ATOM 188 CG ARG A 11 1.959 -2.042 1.976 1.00 0.00 C ATOM 189 CD ARG A 11 2.583 -2.641 0.693 1.00 0.00 C ATOM 190 NE ARG A 11 4.053 -2.785 0.754 1.00 0.00 N ATOM 191 CZ ARG A 11 4.905 -3.016 -0.261 1.00 0.00 C ATOM 192 NH1 ARG A 11 4.533 -2.897 -1.541 1.00 0.00 N ATOM 193 NH2 ARG A 11 6.166 -3.373 0.013 1.00 0.00 N ATOM 0 H ARG A 11 1.118 -3.913 4.364 1.00 0.00 H new ATOM 0 HA ARG A 11 3.103 -4.299 2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.079 -2.013 4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.621 -1.784 3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.934 -2.403 2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.907 -0.960 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.139 -3.619 0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.325 -2.007 -0.155 1.00 0.00 H new ATOM 0 HE ARG A 11 4.473 -2.699 1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.578 -2.624 -1.771 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.205 -3.080 -2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.470 -3.467 0.982 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.822 -3.551 -0.747 1.00 0.00 H new ATOM 207 N ASN A 12 5.382 -4.328 3.392 1.00 0.00 N ATOM 208 CA ASN A 12 6.766 -4.561 3.780 1.00 0.00 C ATOM 209 C ASN A 12 7.620 -3.552 2.991 1.00 0.00 C ATOM 210 O ASN A 12 8.335 -3.943 2.070 1.00 0.00 O ATOM 211 CB ASN A 12 7.089 -6.029 3.449 1.00 0.00 C ATOM 212 CG ASN A 12 8.500 -6.437 3.863 1.00 0.00 C ATOM 213 OD1 ASN A 12 9.355 -6.647 3.008 1.00 0.00 O ATOM 214 ND2 ASN A 12 8.745 -6.552 5.171 1.00 0.00 N ATOM 0 H ASN A 12 5.259 -4.400 2.382 1.00 0.00 H new ATOM 0 HA ASN A 12 6.964 -4.413 4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.368 -6.676 3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.970 -6.189 2.377 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.673 -6.824 5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.004 -6.368 5.847 1.00 0.00 H new ATOM 221 N PRO A 13 7.546 -2.251 3.331 1.00 0.00 N ATOM 222 CA PRO A 13 8.246 -1.178 2.641 1.00 0.00 C ATOM 223 C PRO A 13 9.775 -1.248 2.717 1.00 0.00 C ATOM 224 O PRO A 13 10.425 -1.845 1.864 1.00 0.00 O ATOM 225 CB PRO A 13 7.663 0.128 3.217 1.00 0.00 C ATOM 226 CG PRO A 13 7.148 -0.265 4.600 1.00 0.00 C ATOM 227 CD PRO A 13 6.680 -1.695 4.360 1.00 0.00 C ATOM 0 HA PRO A 13 8.080 -1.255 1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.422 0.908 3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.861 0.516 2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.929 -0.212 5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.336 0.381 4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.742 -2.282 5.277 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.638 -1.713 4.040 1.00 0.00 H new ATOM 235 N GLY A 14 10.325 -0.624 3.755 1.00 0.00 N ATOM 236 CA GLY A 14 11.738 -0.450 4.055 1.00 0.00 C ATOM 237 C GLY A 14 12.631 -1.659 4.321 1.00 0.00 C ATOM 238 O GLY A 14 13.773 -1.462 4.738 1.00 0.00 O ATOM 0 H GLY A 14 9.739 -0.190 4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.178 0.097 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.803 0.196 4.930 1.00 0.00 H new ATOM 242 N ARG A 15 12.150 -2.885 4.095 1.00 0.00 N ATOM 243 CA ARG A 15 12.942 -4.103 4.295 1.00 0.00 C ATOM 244 C ARG A 15 14.197 -4.050 3.405 1.00 0.00 C ATOM 245 O ARG A 15 15.312 -4.254 3.885 1.00 0.00 O ATOM 246 CB ARG A 15 12.104 -5.354 3.975 1.00 0.00 C ATOM 247 CG ARG A 15 12.896 -6.644 4.273 1.00 0.00 C ATOM 248 CD ARG A 15 12.137 -7.922 3.896 1.00 0.00 C ATOM 249 NE ARG A 15 11.927 -8.024 2.442 1.00 0.00 N ATOM 250 CZ ARG A 15 11.155 -8.936 1.822 1.00 0.00 C ATOM 251 NH1 ARG A 15 10.475 -9.862 2.517 1.00 0.00 N ATOM 252 NH2 ARG A 15 11.060 -8.918 0.485 1.00 0.00 N ATOM 0 H ARG A 15 11.200 -3.062 3.768 1.00 0.00 H new ATOM 0 HA ARG A 15 13.247 -4.162 5.340 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.187 -5.342 4.565 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.809 -5.339 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.840 -6.616 3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.141 -6.675 5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.694 -8.792 4.245 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.173 -7.936 4.404 1.00 0.00 H new ATOM 0 HE ARG A 15 12.409 -7.344 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.538 -9.884 3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.896 -10.544 2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.570 -8.218 -0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.478 -9.605 0.006 1.00 0.00 H new ATOM 266 N CYS A 16 13.995 -3.760 2.112 1.00 0.00 N ATOM 267 CA CYS A 16 15.026 -3.654 1.087 1.00 0.00 C ATOM 268 C CYS A 16 15.900 -2.412 1.304 1.00 0.00 C ATOM 269 O CYS A 16 17.124 -2.517 1.383 1.00 0.00 O ATOM 270 CB CYS A 16 14.329 -3.731 -0.284 1.00 0.00 C ATOM 271 SG CYS A 16 15.330 -3.506 -1.785 1.00 0.00 S ATOM 0 H CYS A 16 13.061 -3.586 1.741 1.00 0.00 H new ATOM 0 HA CYS A 16 15.735 -4.480 1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 16 13.843 -4.704 -0.354 1.00 0.00 H new ATOM 0 HB3 CYS A 16 13.540 -2.979 -0.297 1.00 0.00 H new ATOM 276 N TYR A 17 15.249 -1.257 1.433 1.00 0.00 N ATOM 277 CA TYR A 17 15.847 0.063 1.653 1.00 0.00 C ATOM 278 C TYR A 17 14.793 1.036 2.224 1.00 0.00 C ATOM 279 O TYR A 17 14.720 1.166 3.445 1.00 0.00 O ATOM 280 CB TYR A 17 16.482 0.608 0.351 1.00 0.00 C ATOM 281 CG TYR A 17 17.850 0.038 0.009 1.00 0.00 C ATOM 282 CD1 TYR A 17 18.970 0.345 0.816 1.00 0.00 C ATOM 283 CD2 TYR A 17 18.008 -0.813 -1.110 1.00 0.00 C ATOM 284 CE1 TYR A 17 20.232 -0.212 0.520 1.00 0.00 C ATOM 285 CE2 TYR A 17 19.269 -1.375 -1.402 1.00 0.00 C ATOM 286 CZ TYR A 17 20.383 -1.074 -0.588 1.00 0.00 C ATOM 287 OH TYR A 17 21.606 -1.612 -0.869 1.00 0.00 O ATOM 0 H TYR A 17 14.231 -1.213 1.384 1.00 0.00 H new ATOM 0 HA TYR A 17 16.649 -0.033 2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 17 15.804 0.404 -0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 17 16.568 1.691 0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.859 1.008 1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 17 17.161 -1.033 -1.743 1.00 0.00 H new ATOM 0 HE1 TYR A 17 21.084 0.021 1.142 1.00 0.00 H new ATOM 0 HE2 TYR A 17 19.382 -2.036 -2.249 1.00 0.00 H new ATOM 0 HH TYR A 17 21.538 -2.183 -1.662 1.00 0.00 H new ATOM 297 N GLN A 18 14.012 1.707 1.347 1.00 0.00 N ATOM 298 CA GLN A 18 12.949 2.707 1.570 1.00 0.00 C ATOM 299 C GLN A 18 13.298 3.904 0.669 1.00 0.00 C ATOM 300 O GLN A 18 14.173 4.686 1.045 1.00 0.00 O ATOM 301 CB GLN A 18 12.820 3.136 3.052 1.00 0.00 C ATOM 302 CG GLN A 18 11.740 4.204 3.276 1.00 0.00 C ATOM 303 CD GLN A 18 11.538 4.559 4.754 1.00 0.00 C ATOM 304 OE1 GLN A 18 11.871 3.781 5.647 1.00 0.00 O ATOM 305 NE2 GLN A 18 10.983 5.745 5.022 1.00 0.00 N ATOM 0 H GLN A 18 14.128 1.538 0.348 1.00 0.00 H new ATOM 0 HA GLN A 18 11.977 2.282 1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.589 2.261 3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.780 3.520 3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.010 5.106 2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.796 3.849 2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.718 6.368 4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.825 6.027 5.989 1.00 0.00 H new ATOM 314 N LYS A 19 12.643 4.070 -0.503 1.00 0.00 N ATOM 315 CA LYS A 19 12.974 5.161 -1.421 1.00 0.00 C ATOM 316 C LYS A 19 11.925 5.569 -2.470 1.00 0.00 C ATOM 317 O LYS A 19 12.066 6.648 -3.047 1.00 0.00 O ATOM 318 CB LYS A 19 14.255 4.718 -2.155 1.00 0.00 C ATOM 319 CG LYS A 19 14.975 5.801 -2.967 1.00 0.00 C ATOM 320 CD LYS A 19 15.326 7.021 -2.100 1.00 0.00 C ATOM 321 CE LYS A 19 16.294 7.984 -2.802 1.00 0.00 C ATOM 322 NZ LYS A 19 17.635 7.400 -2.987 1.00 0.00 N ATOM 0 H LYS A 19 11.889 3.463 -0.825 1.00 0.00 H new ATOM 0 HA LYS A 19 13.063 6.054 -0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.953 4.321 -1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.000 3.898 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 19 15.886 5.387 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.342 6.114 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.411 7.555 -1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.771 6.682 -1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.885 8.262 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.378 8.900 -2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.301 8.145 -3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.955 6.975 -2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.596 6.667 -3.724 1.00 0.00 H new ATOM 336 N ILE A 20 10.893 4.758 -2.731 1.00 0.00 N ATOM 337 CA ILE A 20 9.877 5.047 -3.751 1.00 0.00 C ATOM 338 C ILE A 20 8.565 5.468 -3.082 1.00 0.00 C ATOM 339 O ILE A 20 7.872 4.598 -2.560 1.00 0.00 O ATOM 340 CB ILE A 20 9.579 3.820 -4.662 1.00 0.00 C ATOM 341 CG1 ILE A 20 10.780 2.950 -5.089 1.00 0.00 C ATOM 342 CG2 ILE A 20 8.791 4.333 -5.882 1.00 0.00 C ATOM 343 CD1 ILE A 20 11.763 3.616 -6.048 1.00 0.00 C ATOM 0 H ILE A 20 10.738 3.878 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 20 10.280 5.850 -4.369 1.00 0.00 H new ATOM 0 HB ILE A 20 9.004 3.121 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.322 2.645 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.401 2.042 -5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.563 3.499 -6.545 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.862 4.794 -5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.389 5.070 -6.418 1.00 0.00 H new ATOM 0 HD11 ILE A 20 12.568 2.921 -6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 20 11.244 3.896 -6.965 1.00 0.00 H new ATOM 0 HD13 ILE A 20 12.180 4.508 -5.580 1.00 0.00 H new ATOM 355 N PRO A 21 8.163 6.752 -3.090 1.00 0.00 N ATOM 356 CA PRO A 21 6.903 7.122 -2.477 1.00 0.00 C ATOM 357 C PRO A 21 5.715 6.577 -3.266 1.00 0.00 C ATOM 358 O PRO A 21 5.638 6.668 -4.491 1.00 0.00 O ATOM 359 CB PRO A 21 6.857 8.630 -2.365 1.00 0.00 C ATOM 360 CG PRO A 21 7.945 9.114 -3.333 1.00 0.00 C ATOM 361 CD PRO A 21 8.913 7.932 -3.484 1.00 0.00 C ATOM 0 HA PRO A 21 6.833 6.680 -1.483 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.877 9.020 -2.640 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.056 8.960 -1.345 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.517 9.397 -4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.457 9.993 -2.941 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.267 7.845 -4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.793 8.064 -2.854 1.00 0.00 H new ATOM 369 N ALA A 22 4.800 6.009 -2.486 1.00 0.00 N ATOM 370 CA ALA A 22 3.547 5.390 -2.920 1.00 0.00 C ATOM 371 C ALA A 22 2.491 5.544 -1.812 1.00 0.00 C ATOM 372 O ALA A 22 2.594 6.454 -0.990 1.00 0.00 O ATOM 373 CB ALA A 22 3.848 3.919 -3.262 1.00 0.00 C ATOM 0 H ALA A 22 4.918 5.965 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 22 3.139 5.873 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.932 3.427 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.589 3.875 -4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.236 3.412 -2.378 1.00 0.00 H new ATOM 379 N PHE A 23 1.450 4.694 -1.812 1.00 0.00 N ATOM 380 CA PHE A 23 0.384 4.666 -0.810 1.00 0.00 C ATOM 381 C PHE A 23 -0.022 3.201 -0.533 1.00 0.00 C ATOM 382 O PHE A 23 0.171 2.308 -1.360 1.00 0.00 O ATOM 383 CB PHE A 23 -0.893 5.375 -1.281 1.00 0.00 C ATOM 384 CG PHE A 23 -0.809 6.852 -1.619 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.156 7.282 -2.791 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.387 7.811 -0.753 1.00 0.00 C ATOM 387 CE1 PHE A 23 0.094 8.656 -2.995 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.155 9.185 -0.964 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.401 9.608 -2.079 1.00 0.00 C ATOM 0 H PHE A 23 1.328 3.986 -2.536 1.00 0.00 H new ATOM 0 HA PHE A 23 0.781 5.172 0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.258 4.851 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.647 5.253 -0.504 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.153 6.561 -3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.007 7.489 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.665 8.979 -3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.554 9.913 -0.273 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.203 10.659 -2.231 1.00 0.00 H new ATOM 399 N TYR A 24 -0.641 2.997 0.634 1.00 0.00 N ATOM 400 CA TYR A 24 -1.180 1.732 1.152 1.00 0.00 C ATOM 401 C TYR A 24 -2.445 2.003 1.987 1.00 0.00 C ATOM 402 O TYR A 24 -2.548 3.054 2.618 1.00 0.00 O ATOM 403 CB TYR A 24 -0.119 0.938 1.937 1.00 0.00 C ATOM 404 CG TYR A 24 0.078 1.279 3.411 1.00 0.00 C ATOM 405 CD1 TYR A 24 0.263 2.618 3.821 1.00 0.00 C ATOM 406 CD2 TYR A 24 0.087 0.252 4.383 1.00 0.00 C ATOM 407 CE1 TYR A 24 0.536 2.922 5.170 1.00 0.00 C ATOM 408 CE2 TYR A 24 0.328 0.556 5.740 1.00 0.00 C ATOM 409 CZ TYR A 24 0.561 1.892 6.134 1.00 0.00 C ATOM 410 OH TYR A 24 0.800 2.185 7.446 1.00 0.00 O ATOM 0 H TYR A 24 -0.790 3.765 1.289 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.463 1.103 0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.374 -0.120 1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.838 1.068 1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.195 3.415 3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.092 -0.771 4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.726 3.943 5.466 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.334 -0.233 6.477 1.00 0.00 H new ATOM 0 HH TYR A 24 0.781 1.360 7.974 1.00 0.00 H new ATOM 420 N TYR A 25 -3.367 1.029 2.068 1.00 0.00 N ATOM 421 CA TYR A 25 -4.648 1.175 2.772 1.00 0.00 C ATOM 422 C TYR A 25 -4.483 1.035 4.287 1.00 0.00 C ATOM 423 O TYR A 25 -4.061 -0.025 4.751 1.00 0.00 O ATOM 424 CB TYR A 25 -5.624 0.102 2.241 1.00 0.00 C ATOM 425 CG TYR A 25 -7.008 0.001 2.887 1.00 0.00 C ATOM 426 CD1 TYR A 25 -7.644 1.134 3.446 1.00 0.00 C ATOM 427 CD2 TYR A 25 -7.689 -1.241 2.899 1.00 0.00 C ATOM 428 CE1 TYR A 25 -8.928 1.024 4.017 1.00 0.00 C ATOM 429 CE2 TYR A 25 -9.007 -1.332 3.393 1.00 0.00 C ATOM 430 CZ TYR A 25 -9.618 -0.205 3.979 1.00 0.00 C ATOM 431 OH TYR A 25 -10.878 -0.304 4.496 1.00 0.00 O ATOM 0 H TYR A 25 -3.241 0.111 1.642 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.041 2.174 2.584 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.766 0.279 1.175 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.138 -0.869 2.341 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.142 2.090 3.435 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.195 -2.126 2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.385 1.884 4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.548 -2.264 3.322 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.206 -1.221 4.386 1.00 0.00 H new ATOM 441 N ASN A 26 -4.816 2.096 5.057 1.00 0.00 N ATOM 442 CA ASN A 26 -4.721 2.040 6.511 1.00 0.00 C ATOM 443 C ASN A 26 -6.034 1.438 7.013 1.00 0.00 C ATOM 444 O ASN A 26 -7.062 2.116 7.017 1.00 0.00 O ATOM 445 CB ASN A 26 -4.476 3.446 7.092 1.00 0.00 C ATOM 446 CG ASN A 26 -3.011 3.873 6.978 1.00 0.00 C ATOM 447 OD1 ASN A 26 -2.266 3.346 6.154 1.00 0.00 O ATOM 448 ND2 ASN A 26 -2.587 4.827 7.812 1.00 0.00 N ATOM 0 H ASN A 26 -5.148 2.987 4.689 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.879 1.427 6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.104 4.167 6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.776 3.461 8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.617 5.140 7.778 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.233 5.242 8.483 1.00 0.00 H new ATOM 455 N GLN A 27 -5.991 0.160 7.428 1.00 0.00 N ATOM 456 CA GLN A 27 -7.144 -0.582 7.936 1.00 0.00 C ATOM 457 C GLN A 27 -7.333 -0.308 9.437 1.00 0.00 C ATOM 458 O GLN A 27 -7.437 -1.216 10.262 1.00 0.00 O ATOM 459 CB GLN A 27 -6.968 -2.082 7.628 1.00 0.00 C ATOM 460 CG GLN A 27 -6.743 -2.324 6.129 1.00 0.00 C ATOM 461 CD GLN A 27 -6.853 -3.803 5.758 1.00 0.00 C ATOM 462 OE1 GLN A 27 -5.861 -4.529 5.784 1.00 0.00 O ATOM 463 NE2 GLN A 27 -8.061 -4.255 5.409 1.00 0.00 N ATOM 0 H GLN A 27 -5.133 -0.392 7.417 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.053 -0.247 7.436 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.122 -2.474 8.192 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.852 -2.629 7.958 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.474 -1.753 5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.758 -1.953 5.847 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.860 -3.621 5.400 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.184 -5.234 5.152 1.00 0.00 H new ATOM 472 N LYS A 28 -7.379 0.988 9.751 1.00 0.00 N ATOM 473 CA LYS A 28 -7.569 1.640 11.046 1.00 0.00 C ATOM 474 C LYS A 28 -8.498 2.835 10.805 1.00 0.00 C ATOM 475 O LYS A 28 -9.419 3.120 11.570 1.00 0.00 O ATOM 476 CB LYS A 28 -6.203 2.054 11.622 1.00 0.00 C ATOM 477 CG LYS A 28 -6.326 2.813 12.953 1.00 0.00 C ATOM 478 CD LYS A 28 -4.936 3.158 13.508 1.00 0.00 C ATOM 479 CE LYS A 28 -5.009 4.050 14.756 1.00 0.00 C ATOM 480 NZ LYS A 28 -5.677 3.380 15.886 1.00 0.00 N ATOM 0 H LYS A 28 -7.271 1.687 9.016 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.022 0.976 11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.591 1.164 11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.683 2.681 10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.902 3.727 12.805 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.872 2.206 13.675 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.407 2.237 13.753 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.355 3.664 12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.001 4.339 15.053 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.545 4.968 14.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.702 4.021 16.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.649 3.127 15.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.153 2.518 16.138 1.00 0.00 H new ATOM 494 N LYS A 29 -8.207 3.500 9.690 1.00 0.00 N ATOM 495 CA LYS A 29 -8.822 4.632 9.063 1.00 0.00 C ATOM 496 C LYS A 29 -9.882 4.116 8.132 1.00 0.00 C ATOM 497 O LYS A 29 -10.832 3.475 8.587 1.00 0.00 O ATOM 498 CB LYS A 29 -7.669 5.441 8.432 1.00 0.00 C ATOM 499 CG LYS A 29 -8.016 6.804 7.800 1.00 0.00 C ATOM 500 CD LYS A 29 -8.724 7.804 8.733 1.00 0.00 C ATOM 501 CE LYS A 29 -7.920 8.193 9.986 1.00 0.00 C ATOM 502 NZ LYS A 29 -8.085 7.236 11.096 1.00 0.00 N ATOM 0 H LYS A 29 -7.408 3.195 9.134 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.351 5.316 9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.916 5.610 9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.206 4.822 7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.096 7.261 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.651 6.631 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.952 8.708 8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.676 7.376 9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.864 8.261 9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.231 9.183 10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.918 7.721 12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.052 6.852 11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.402 6.459 10.989 1.00 0.00 H new ATOM 516 N LYS A 30 -9.692 4.373 6.844 1.00 0.00 N ATOM 517 CA LYS A 30 -10.684 4.082 5.838 1.00 0.00 C ATOM 518 C LYS A 30 -10.237 4.564 4.440 1.00 0.00 C ATOM 519 O LYS A 30 -11.094 4.805 3.589 1.00 0.00 O ATOM 520 CB LYS A 30 -11.976 4.808 6.276 1.00 0.00 C ATOM 521 CG LYS A 30 -11.730 6.291 6.509 1.00 0.00 C ATOM 522 CD LYS A 30 -13.001 7.062 6.893 1.00 0.00 C ATOM 523 CE LYS A 30 -12.693 8.514 7.290 1.00 0.00 C ATOM 524 NZ LYS A 30 -12.136 9.296 6.172 1.00 0.00 N ATOM 0 H LYS A 30 -8.838 4.791 6.474 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.838 3.006 5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.743 4.681 5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.358 4.353 7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.988 6.410 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.306 6.729 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.697 7.055 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.496 6.556 7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.606 8.992 7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.987 8.519 8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.977 10.277 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.233 8.877 5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.805 9.287 5.375 1.00 0.00 H new ATOM 538 N GLN A 31 -8.922 4.701 4.177 1.00 0.00 N ATOM 539 CA GLN A 31 -8.390 5.215 2.919 1.00 0.00 C ATOM 540 C GLN A 31 -6.886 4.910 2.822 1.00 0.00 C ATOM 541 O GLN A 31 -6.262 4.437 3.781 1.00 0.00 O ATOM 542 CB GLN A 31 -8.684 6.735 2.881 1.00 0.00 C ATOM 543 CG GLN A 31 -8.289 7.450 1.580 1.00 0.00 C ATOM 544 CD GLN A 31 -8.929 8.838 1.478 1.00 0.00 C ATOM 545 OE1 GLN A 31 -8.274 9.849 1.726 1.00 0.00 O ATOM 546 NE2 GLN A 31 -10.212 8.891 1.110 1.00 0.00 N ATOM 0 H GLN A 31 -8.197 4.451 4.849 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.860 4.737 2.060 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.750 6.886 3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.160 7.210 3.710 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.204 7.545 1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.594 6.845 0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.722 8.030 0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.682 9.793 1.026 1.00 0.00 H new ATOM 555 N CYS A 32 -6.300 5.177 1.644 1.00 0.00 N ATOM 556 CA CYS A 32 -4.902 4.948 1.380 1.00 0.00 C ATOM 557 C CYS A 32 -4.065 6.096 1.908 1.00 0.00 C ATOM 558 O CYS A 32 -4.196 7.233 1.452 1.00 0.00 O ATOM 559 CB CYS A 32 -4.655 4.806 -0.123 1.00 0.00 C ATOM 560 SG CYS A 32 -3.529 3.503 -0.668 1.00 0.00 S ATOM 0 H CYS A 32 -6.806 5.563 0.847 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.615 4.026 1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.618 4.642 -0.607 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.271 5.757 -0.491 1.00 0.00 H new ATOM 565 N GLU A 33 -3.228 5.789 2.896 1.00 0.00 N ATOM 566 CA GLU A 33 -2.280 6.722 3.443 1.00 0.00 C ATOM 567 C GLU A 33 -1.056 6.521 2.589 1.00 0.00 C ATOM 568 O GLU A 33 -0.826 5.472 1.994 1.00 0.00 O ATOM 569 CB GLU A 33 -1.980 6.408 4.893 1.00 0.00 C ATOM 570 CG GLU A 33 -1.417 7.511 5.772 1.00 0.00 C ATOM 571 CD GLU A 33 0.098 7.667 5.695 1.00 0.00 C ATOM 572 OE1 GLU A 33 0.789 6.706 6.097 1.00 0.00 O ATOM 573 OE2 GLU A 33 0.539 8.750 5.249 1.00 0.00 O ATOM 0 H GLU A 33 -3.199 4.870 3.337 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.645 7.749 3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.903 6.056 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.276 5.576 4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.882 8.456 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.697 7.313 6.807 1.00 0.00 H new ATOM 580 N GLY A 34 -0.254 7.555 2.566 1.00 0.00 N ATOM 581 CA GLY A 34 0.960 7.510 1.751 1.00 0.00 C ATOM 582 C GLY A 34 2.088 6.804 2.486 1.00 0.00 C ATOM 583 O GLY A 34 2.276 7.060 3.674 1.00 0.00 O ATOM 0 H GLY A 34 -0.402 8.422 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.753 6.993 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.267 8.524 1.495 1.00 0.00 H new ATOM 587 N PHE A 35 2.848 5.932 1.800 1.00 0.00 N ATOM 588 CA PHE A 35 3.911 5.206 2.482 1.00 0.00 C ATOM 589 C PHE A 35 5.136 5.176 1.551 1.00 0.00 C ATOM 590 O PHE A 35 4.996 5.109 0.325 1.00 0.00 O ATOM 591 CB PHE A 35 3.424 3.781 2.841 1.00 0.00 C ATOM 592 CG PHE A 35 3.482 2.629 1.849 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.977 2.718 0.539 1.00 0.00 C ATOM 594 CD2 PHE A 35 4.113 1.434 2.270 1.00 0.00 C ATOM 595 CE1 PHE A 35 3.075 1.611 -0.334 1.00 0.00 C ATOM 596 CE2 PHE A 35 4.277 0.358 1.379 1.00 0.00 C ATOM 597 CZ PHE A 35 3.747 0.445 0.076 1.00 0.00 C ATOM 0 H PHE A 35 2.745 5.723 0.807 1.00 0.00 H new ATOM 0 HA PHE A 35 4.187 5.696 3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.991 3.468 3.718 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.383 3.875 3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.514 3.633 0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.472 1.348 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.633 1.660 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.806 -0.530 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.857 -0.384 -0.608 1.00 0.00 H new ATOM 607 N THR A 36 6.343 5.246 2.132 1.00 0.00 N ATOM 608 CA THR A 36 7.596 5.214 1.381 1.00 0.00 C ATOM 609 C THR A 36 7.929 3.731 1.182 1.00 0.00 C ATOM 610 O THR A 36 8.324 3.050 2.124 1.00 0.00 O ATOM 611 CB THR A 36 8.708 5.998 2.101 1.00 0.00 C ATOM 612 OG1 THR A 36 8.253 7.295 2.440 1.00 0.00 O ATOM 613 CG2 THR A 36 9.928 6.141 1.177 1.00 0.00 C ATOM 0 H THR A 36 6.472 5.327 3.141 1.00 0.00 H new ATOM 0 HA THR A 36 7.503 5.709 0.414 1.00 0.00 H new ATOM 0 HB THR A 36 8.981 5.453 3.005 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.968 7.783 2.899 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.711 6.697 1.692 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.300 5.152 0.910 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.639 6.676 0.272 1.00 0.00 H new ATOM 621 N TRP A 37 7.742 3.250 -0.051 1.00 0.00 N ATOM 622 CA TRP A 37 7.940 1.878 -0.504 1.00 0.00 C ATOM 623 C TRP A 37 9.344 1.700 -1.087 1.00 0.00 C ATOM 624 O TRP A 37 9.687 2.382 -2.042 1.00 0.00 O ATOM 625 CB TRP A 37 6.831 1.575 -1.541 1.00 0.00 C ATOM 626 CG TRP A 37 7.101 0.449 -2.492 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.346 -0.840 -2.179 1.00 0.00 C ATOM 628 CD2 TRP A 37 7.244 0.540 -3.937 1.00 0.00 C ATOM 629 NE1 TRP A 37 7.874 -1.482 -3.282 1.00 0.00 N ATOM 630 CE2 TRP A 37 7.892 -0.648 -4.389 1.00 0.00 C ATOM 631 CE3 TRP A 37 6.965 1.537 -4.905 1.00 0.00 C ATOM 632 CZ2 TRP A 37 8.394 -0.757 -5.702 1.00 0.00 C ATOM 633 CZ3 TRP A 37 7.305 1.349 -6.261 1.00 0.00 C ATOM 634 CH2 TRP A 37 8.080 0.238 -6.647 1.00 0.00 C ATOM 0 H TRP A 37 7.426 3.855 -0.809 1.00 0.00 H new ATOM 0 HA TRP A 37 7.867 1.174 0.325 1.00 0.00 H new ATOM 0 HB2 TRP A 37 5.910 1.354 -1.002 1.00 0.00 H new ATOM 0 HB3 TRP A 37 6.651 2.479 -2.123 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.159 -1.297 -1.219 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.208 -2.446 -3.282 1.00 0.00 H new ATOM 0 HE3 TRP A 37 6.485 2.455 -4.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.014 -1.596 -5.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 6.971 2.058 -7.004 1.00 0.00 H new ATOM 0 HH2 TRP A 37 8.432 0.150 -7.664 1.00 0.00 H new ATOM 645 N SER A 38 10.159 0.777 -0.555 1.00 0.00 N ATOM 646 CA SER A 38 11.508 0.533 -1.072 1.00 0.00 C ATOM 647 C SER A 38 11.502 0.012 -2.520 1.00 0.00 C ATOM 648 O SER A 38 10.483 -0.456 -3.019 1.00 0.00 O ATOM 649 CB SER A 38 12.211 -0.488 -0.177 1.00 0.00 C ATOM 650 OG SER A 38 13.555 -0.603 -0.576 1.00 0.00 O ATOM 0 H SER A 38 9.903 0.186 0.236 1.00 0.00 H new ATOM 0 HA SER A 38 12.036 1.487 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.154 -0.176 0.866 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.714 -1.455 -0.248 1.00 0.00 H new ATOM 0 HG SER A 38 13.620 -1.224 -1.331 1.00 0.00 H new ATOM 656 N GLY A 39 12.665 0.079 -3.186 1.00 0.00 N ATOM 657 CA GLY A 39 12.870 -0.389 -4.552 1.00 0.00 C ATOM 658 C GLY A 39 12.471 -1.863 -4.738 1.00 0.00 C ATOM 659 O GLY A 39 11.956 -2.219 -5.797 1.00 0.00 O ATOM 0 H GLY A 39 13.509 0.473 -2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.289 0.230 -5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.919 -0.263 -4.822 1.00 0.00 H new ATOM 663 N CYS A 40 12.702 -2.708 -3.716 1.00 0.00 N ATOM 664 CA CYS A 40 12.378 -4.135 -3.719 1.00 0.00 C ATOM 665 C CYS A 40 11.719 -4.536 -2.386 1.00 0.00 C ATOM 666 O CYS A 40 12.093 -5.546 -1.791 1.00 0.00 O ATOM 667 CB CYS A 40 13.649 -4.946 -4.067 1.00 0.00 C ATOM 668 SG CYS A 40 15.004 -5.218 -2.863 1.00 0.00 S ATOM 0 H CYS A 40 13.132 -2.402 -2.843 1.00 0.00 H new ATOM 0 HA CYS A 40 11.641 -4.363 -4.489 1.00 0.00 H new ATOM 0 HB2 CYS A 40 13.312 -5.933 -4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 40 14.097 -4.466 -4.937 1.00 0.00 H new ATOM 673 N GLY A 41 10.702 -3.766 -1.955 1.00 0.00 N ATOM 674 CA GLY A 41 9.944 -3.925 -0.714 1.00 0.00 C ATOM 675 C GLY A 41 9.546 -5.362 -0.360 1.00 0.00 C ATOM 676 O GLY A 41 10.310 -6.041 0.327 1.00 0.00 O ATOM 0 H GLY A 41 10.373 -2.970 -2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.535 -3.518 0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.038 -3.323 -0.783 1.00 0.00 H new ATOM 680 N GLY A 42 8.354 -5.820 -0.780 1.00 0.00 N ATOM 681 CA GLY A 42 7.901 -7.174 -0.481 1.00 0.00 C ATOM 682 C GLY A 42 6.502 -7.482 -1.022 1.00 0.00 C ATOM 683 O GLY A 42 6.379 -7.936 -2.160 1.00 0.00 O ATOM 0 H GLY A 42 7.693 -5.267 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.610 -7.887 -0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.905 -7.320 0.599 1.00 0.00 H new ATOM 687 N ASN A 43 5.452 -7.251 -0.212 1.00 0.00 N ATOM 688 CA ASN A 43 4.055 -7.536 -0.572 1.00 0.00 C ATOM 689 C ASN A 43 3.518 -6.598 -1.669 1.00 0.00 C ATOM 690 O ASN A 43 4.258 -5.825 -2.278 1.00 0.00 O ATOM 691 CB ASN A 43 3.133 -7.468 0.670 1.00 0.00 C ATOM 692 CG ASN A 43 3.666 -8.207 1.907 1.00 0.00 C ATOM 693 OD1 ASN A 43 4.747 -7.902 2.403 1.00 0.00 O ATOM 694 ND2 ASN A 43 2.903 -9.172 2.432 1.00 0.00 N ATOM 0 H ASN A 43 5.554 -6.856 0.723 1.00 0.00 H new ATOM 0 HA ASN A 43 4.048 -8.550 -0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.973 -6.422 0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.160 -7.883 0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.215 -9.673 3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.009 -9.406 2.001 1.00 0.00 H new ATOM 701 N SER A 44 2.200 -6.686 -1.906 1.00 0.00 N ATOM 702 CA SER A 44 1.462 -5.911 -2.892 1.00 0.00 C ATOM 703 C SER A 44 1.046 -4.564 -2.276 1.00 0.00 C ATOM 704 O SER A 44 1.928 -3.766 -1.983 1.00 0.00 O ATOM 705 CB SER A 44 0.284 -6.753 -3.418 1.00 0.00 C ATOM 706 OG SER A 44 0.741 -7.936 -4.041 1.00 0.00 O ATOM 0 H SER A 44 1.602 -7.330 -1.388 1.00 0.00 H new ATOM 0 HA SER A 44 2.082 -5.672 -3.756 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.382 -7.007 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.298 -6.166 -4.129 1.00 0.00 H new ATOM 0 HG SER A 44 -0.026 -8.453 -4.364 1.00 0.00 H new ATOM 712 N ASN A 45 -0.263 -4.315 -2.083 1.00 0.00 N ATOM 713 CA ASN A 45 -0.937 -3.110 -1.551 1.00 0.00 C ATOM 714 C ASN A 45 -0.248 -1.771 -1.920 1.00 0.00 C ATOM 715 O ASN A 45 -0.289 -0.792 -1.178 1.00 0.00 O ATOM 716 CB ASN A 45 -1.208 -3.357 -0.047 1.00 0.00 C ATOM 717 CG ASN A 45 -2.042 -2.307 0.708 1.00 0.00 C ATOM 718 OD1 ASN A 45 -2.696 -1.451 0.120 1.00 0.00 O ATOM 719 ND2 ASN A 45 -2.039 -2.378 2.043 1.00 0.00 N ATOM 0 H ASN A 45 -0.951 -5.029 -2.321 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.897 -2.964 -2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.711 -4.319 0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.246 -3.448 0.457 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.586 -1.714 2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.489 -3.096 2.514 1.00 0.00 H new ATOM 726 N ARG A 46 0.432 -1.780 -3.073 1.00 0.00 N ATOM 727 CA ARG A 46 1.193 -0.731 -3.726 1.00 0.00 C ATOM 728 C ARG A 46 0.389 0.095 -4.739 1.00 0.00 C ATOM 729 O ARG A 46 0.101 -0.403 -5.828 1.00 0.00 O ATOM 730 CB ARG A 46 2.390 -1.440 -4.359 1.00 0.00 C ATOM 731 CG ARG A 46 3.356 -0.483 -5.066 1.00 0.00 C ATOM 732 CD ARG A 46 4.694 -1.178 -5.319 1.00 0.00 C ATOM 733 NE ARG A 46 4.542 -2.442 -6.060 1.00 0.00 N ATOM 734 CZ ARG A 46 4.992 -3.660 -5.698 1.00 0.00 C ATOM 735 NH1 ARG A 46 5.715 -3.855 -4.583 1.00 0.00 N ATOM 736 NH2 ARG A 46 4.707 -4.714 -6.476 1.00 0.00 N ATOM 0 H ARG A 46 0.459 -2.633 -3.631 1.00 0.00 H new ATOM 0 HA ARG A 46 1.501 0.022 -3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.931 -1.986 -3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.029 -2.177 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.925 -0.152 -6.011 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.510 0.407 -4.456 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.347 -0.509 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.183 -1.376 -4.365 1.00 0.00 H new ATOM 0 HE ARG A 46 4.040 -2.390 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.941 -3.066 -3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.038 -4.792 -4.342 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.158 -4.587 -7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.039 -5.643 -6.218 1.00 0.00 H new ATOM 750 N PHE A 47 0.070 1.357 -4.420 1.00 0.00 N ATOM 751 CA PHE A 47 -0.648 2.316 -5.212 1.00 0.00 C ATOM 752 C PHE A 47 -0.001 3.700 -5.295 1.00 0.00 C ATOM 753 O PHE A 47 0.641 4.168 -4.365 1.00 0.00 O ATOM 754 CB PHE A 47 -2.092 2.329 -4.748 1.00 0.00 C ATOM 755 CG PHE A 47 -2.725 0.963 -4.521 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.316 0.328 -5.639 1.00 0.00 C ATOM 757 CD2 PHE A 47 -2.727 0.314 -3.268 1.00 0.00 C ATOM 758 CE1 PHE A 47 -3.985 -0.903 -5.491 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.411 -0.911 -3.121 1.00 0.00 C ATOM 760 CZ PHE A 47 -4.048 -1.514 -4.225 1.00 0.00 C ATOM 0 H PHE A 47 0.340 1.749 -3.518 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.610 1.998 -6.254 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.151 2.895 -3.818 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.687 2.866 -5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.254 0.790 -6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.209 0.752 -2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.447 -1.375 -6.345 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.447 -1.391 -2.154 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.583 -2.443 -4.099 1.00 0.00 H new ATOM 770 N LYS A 48 -0.187 4.334 -6.459 1.00 0.00 N ATOM 771 CA LYS A 48 0.307 5.633 -6.872 1.00 0.00 C ATOM 772 C LYS A 48 -0.639 6.749 -6.417 1.00 0.00 C ATOM 773 O LYS A 48 -0.157 7.779 -5.950 1.00 0.00 O ATOM 774 CB LYS A 48 0.462 5.603 -8.404 1.00 0.00 C ATOM 775 CG LYS A 48 1.827 5.062 -8.873 1.00 0.00 C ATOM 776 CD LYS A 48 2.196 3.657 -8.363 1.00 0.00 C ATOM 777 CE LYS A 48 1.259 2.556 -8.884 1.00 0.00 C ATOM 778 NZ LYS A 48 1.583 1.247 -8.292 1.00 0.00 N ATOM 0 H LYS A 48 -0.741 3.901 -7.198 1.00 0.00 H new ATOM 0 HA LYS A 48 1.271 5.843 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.330 4.987 -8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.326 6.611 -8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.837 5.048 -9.963 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.602 5.759 -8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.218 3.426 -8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.175 3.657 -7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.226 2.816 -8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.336 2.495 -9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.518 0.510 -9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.549 1.269 -7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.911 1.036 -7.527 1.00 0.00 H new ATOM 792 N THR A 49 -1.962 6.576 -6.584 1.00 0.00 N ATOM 793 CA THR A 49 -2.965 7.556 -6.158 1.00 0.00 C ATOM 794 C THR A 49 -3.942 6.863 -5.193 1.00 0.00 C ATOM 795 O THR A 49 -4.062 5.637 -5.160 1.00 0.00 O ATOM 796 CB THR A 49 -3.664 8.224 -7.364 1.00 0.00 C ATOM 797 OG1 THR A 49 -3.998 7.303 -8.378 1.00 0.00 O ATOM 798 CG2 THR A 49 -2.768 9.321 -7.957 1.00 0.00 C ATOM 0 H THR A 49 -2.363 5.746 -7.021 1.00 0.00 H new ATOM 0 HA THR A 49 -2.483 8.377 -5.628 1.00 0.00 H new ATOM 0 HB THR A 49 -4.591 8.655 -6.987 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.438 7.774 -9.116 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.272 9.783 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.568 10.077 -7.198 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.827 8.882 -8.289 1.00 0.00 H new ATOM 806 N ILE A 50 -4.633 7.676 -4.385 1.00 0.00 N ATOM 807 CA ILE A 50 -5.583 7.244 -3.362 1.00 0.00 C ATOM 808 C ILE A 50 -6.868 6.634 -3.933 1.00 0.00 C ATOM 809 O ILE A 50 -7.470 5.763 -3.308 1.00 0.00 O ATOM 810 CB ILE A 50 -5.893 8.444 -2.429 1.00 0.00 C ATOM 811 CG1 ILE A 50 -4.597 8.978 -1.774 1.00 0.00 C ATOM 812 CG2 ILE A 50 -6.892 8.041 -1.330 1.00 0.00 C ATOM 813 CD1 ILE A 50 -4.813 10.217 -0.894 1.00 0.00 C ATOM 0 H ILE A 50 -4.540 8.691 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.117 6.438 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.336 9.231 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.154 8.187 -1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.879 9.221 -2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.093 8.899 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.822 7.705 -1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.469 7.233 -0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.860 10.533 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.227 11.025 -1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.506 9.975 -0.088 1.00 0.00 H new ATOM 825 N GLU A 51 -7.273 7.054 -5.131 1.00 0.00 N ATOM 826 CA GLU A 51 -8.496 6.581 -5.776 1.00 0.00 C ATOM 827 C GLU A 51 -8.280 5.153 -6.226 1.00 0.00 C ATOM 828 O GLU A 51 -9.028 4.250 -5.869 1.00 0.00 O ATOM 829 CB GLU A 51 -8.877 7.516 -6.936 1.00 0.00 C ATOM 830 CG GLU A 51 -8.991 8.972 -6.460 1.00 0.00 C ATOM 831 CD GLU A 51 -9.718 9.847 -7.482 1.00 0.00 C ATOM 832 OE1 GLU A 51 -9.042 10.299 -8.433 1.00 0.00 O ATOM 833 OE2 GLU A 51 -10.940 10.045 -7.301 1.00 0.00 O ATOM 0 H GLU A 51 -6.757 7.738 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.333 6.595 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.128 7.446 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.825 7.196 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.524 9.003 -5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.994 9.375 -6.280 1.00 0.00 H new ATOM 840 N GLU A 52 -7.206 5.018 -6.993 1.00 0.00 N ATOM 841 CA GLU A 52 -6.614 3.820 -7.561 1.00 0.00 C ATOM 842 C GLU A 52 -6.473 2.741 -6.486 1.00 0.00 C ATOM 843 O GLU A 52 -6.714 1.562 -6.745 1.00 0.00 O ATOM 844 CB GLU A 52 -5.246 4.252 -8.126 1.00 0.00 C ATOM 845 CG GLU A 52 -5.359 4.770 -9.568 1.00 0.00 C ATOM 846 CD GLU A 52 -5.839 3.687 -10.538 1.00 0.00 C ATOM 847 OE1 GLU A 52 -5.057 2.738 -10.766 1.00 0.00 O ATOM 848 OE2 GLU A 52 -6.980 3.821 -11.032 1.00 0.00 O ATOM 0 H GLU A 52 -6.669 5.843 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.232 3.388 -8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.821 5.031 -7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.558 3.407 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.050 5.612 -9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.388 5.143 -9.895 1.00 0.00 H new ATOM 855 N CYS A 53 -6.079 3.161 -5.280 1.00 0.00 N ATOM 856 CA CYS A 53 -5.948 2.310 -4.116 1.00 0.00 C ATOM 857 C CYS A 53 -7.339 1.856 -3.708 1.00 0.00 C ATOM 858 O CYS A 53 -7.609 0.657 -3.653 1.00 0.00 O ATOM 859 CB CYS A 53 -5.317 3.114 -2.985 1.00 0.00 C ATOM 860 SG CYS A 53 -4.777 2.165 -1.542 1.00 0.00 S ATOM 0 H CYS A 53 -5.837 4.134 -5.092 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.321 1.446 -4.335 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.457 3.652 -3.384 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.036 3.864 -2.654 1.00 0.00 H new ATOM 865 N ARG A 54 -8.220 2.841 -3.461 1.00 0.00 N ATOM 866 CA ARG A 54 -9.590 2.567 -3.049 1.00 0.00 C ATOM 867 C ARG A 54 -10.374 1.704 -4.059 1.00 0.00 C ATOM 868 O ARG A 54 -11.318 1.048 -3.626 1.00 0.00 O ATOM 869 CB ARG A 54 -10.346 3.861 -2.727 1.00 0.00 C ATOM 870 CG ARG A 54 -9.863 4.545 -1.428 1.00 0.00 C ATOM 871 CD ARG A 54 -10.938 5.506 -0.906 1.00 0.00 C ATOM 872 NE ARG A 54 -11.024 6.710 -1.746 1.00 0.00 N ATOM 873 CZ ARG A 54 -11.937 7.689 -1.622 1.00 0.00 C ATOM 874 NH1 ARG A 54 -12.871 7.653 -0.659 1.00 0.00 N ATOM 875 NH2 ARG A 54 -11.912 8.721 -2.478 1.00 0.00 N ATOM 0 H ARG A 54 -7.998 3.833 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.514 1.974 -2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.233 4.556 -3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.410 3.640 -2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.640 3.792 -0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.938 5.090 -1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.904 5.001 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.708 5.791 0.121 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.331 6.811 -2.487 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.898 6.872 -0.003 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.554 8.406 -0.583 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.206 8.757 -3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.599 9.470 -2.394 1.00 0.00 H new ATOM 889 N ARG A 55 -10.050 1.668 -5.369 1.00 0.00 N ATOM 890 CA ARG A 55 -10.772 0.817 -6.316 1.00 0.00 C ATOM 891 C ARG A 55 -10.909 -0.653 -5.873 1.00 0.00 C ATOM 892 O ARG A 55 -11.959 -1.277 -6.024 1.00 0.00 O ATOM 893 CB ARG A 55 -9.963 0.788 -7.612 1.00 0.00 C ATOM 894 CG ARG A 55 -9.854 2.144 -8.309 1.00 0.00 C ATOM 895 CD ARG A 55 -11.189 2.828 -8.633 1.00 0.00 C ATOM 896 NE ARG A 55 -11.617 3.697 -7.525 1.00 0.00 N ATOM 897 CZ ARG A 55 -12.761 4.401 -7.471 1.00 0.00 C ATOM 898 NH1 ARG A 55 -13.712 4.261 -8.407 1.00 0.00 N ATOM 899 NH2 ARG A 55 -12.948 5.262 -6.461 1.00 0.00 N ATOM 0 H ARG A 55 -9.298 2.217 -5.785 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.774 1.237 -6.409 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.960 0.422 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.420 0.075 -8.298 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.267 2.811 -7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.298 2.012 -9.237 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.088 3.417 -9.544 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.952 2.073 -8.824 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.988 3.772 -6.725 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.575 3.610 -9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.572 4.806 -8.346 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.228 5.376 -5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.811 5.804 -6.406 1.00 0.00 H new ATOM 913 N THR A 56 -9.797 -1.172 -5.352 1.00 0.00 N ATOM 914 CA THR A 56 -9.540 -2.531 -4.895 1.00 0.00 C ATOM 915 C THR A 56 -9.665 -2.667 -3.377 1.00 0.00 C ATOM 916 O THR A 56 -10.270 -3.623 -2.894 1.00 0.00 O ATOM 917 CB THR A 56 -8.107 -2.903 -5.348 1.00 0.00 C ATOM 918 OG1 THR A 56 -8.011 -2.816 -6.758 1.00 0.00 O ATOM 919 CG2 THR A 56 -7.700 -4.323 -4.931 1.00 0.00 C ATOM 0 H THR A 56 -8.971 -0.587 -5.229 1.00 0.00 H new ATOM 0 HA THR A 56 -10.283 -3.203 -5.325 1.00 0.00 H new ATOM 0 HB THR A 56 -7.436 -2.197 -4.859 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.102 -3.051 -7.039 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.686 -4.527 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.738 -4.408 -3.845 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.386 -5.044 -5.376 1.00 0.00 H new ATOM 927 N CYS A 57 -9.076 -1.729 -2.624 1.00 0.00 N ATOM 928 CA CYS A 57 -9.048 -1.703 -1.185 1.00 0.00 C ATOM 929 C CYS A 57 -10.391 -1.345 -0.579 1.00 0.00 C ATOM 930 O CYS A 57 -10.707 -1.822 0.511 1.00 0.00 O ATOM 931 CB CYS A 57 -7.962 -0.709 -0.773 1.00 0.00 C ATOM 932 SG CYS A 57 -6.257 -1.079 -1.288 1.00 0.00 S ATOM 0 H CYS A 57 -8.586 -0.936 -3.038 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.824 -2.700 -0.805 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.231 0.269 -1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.976 -0.625 0.314 1.00 0.00 H new ATOM 937 N ILE A 58 -11.156 -0.512 -1.288 1.00 0.00 N ATOM 938 CA ILE A 58 -12.489 -0.082 -0.860 1.00 0.00 C ATOM 939 C ILE A 58 -13.534 -0.628 -1.846 1.00 0.00 C ATOM 940 O ILE A 58 -13.218 -1.046 -2.962 1.00 0.00 O ATOM 941 CB ILE A 58 -12.613 1.445 -0.663 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.429 2.024 0.135 1.00 0.00 C ATOM 943 CG2 ILE A 58 -13.898 1.842 0.093 1.00 0.00 C ATOM 944 CD1 ILE A 58 -11.236 1.517 1.557 1.00 0.00 C ATOM 0 H ILE A 58 -10.866 -0.114 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.673 -0.499 0.130 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.631 1.853 -1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.515 1.822 -0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.546 3.107 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.935 2.926 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.769 1.505 -0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -13.899 1.376 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.369 2.005 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.124 1.743 2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.076 0.439 1.540 1.00 0.00 H new ATOM 956 N ARG A 59 -14.795 -0.630 -1.402 1.00 0.00 N ATOM 957 CA ARG A 59 -15.958 -1.081 -2.144 1.00 0.00 C ATOM 958 C ARG A 59 -16.302 0.005 -3.173 1.00 0.00 C ATOM 959 O ARG A 59 -17.007 0.962 -2.854 1.00 0.00 O ATOM 960 CB ARG A 59 -17.106 -1.335 -1.148 1.00 0.00 C ATOM 961 CG ARG A 59 -18.248 -2.180 -1.724 1.00 0.00 C ATOM 962 CD ARG A 59 -19.026 -1.517 -2.870 1.00 0.00 C ATOM 963 NE ARG A 59 -20.200 -2.313 -3.259 1.00 0.00 N ATOM 964 CZ ARG A 59 -21.397 -2.314 -2.643 1.00 0.00 C ATOM 965 NH1 ARG A 59 -21.631 -1.548 -1.565 1.00 0.00 N ATOM 966 NH2 ARG A 59 -22.377 -3.096 -3.117 1.00 0.00 N ATOM 0 H ARG A 59 -15.035 -0.299 -0.468 1.00 0.00 H new ATOM 0 HA ARG A 59 -15.775 -2.014 -2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.706 -1.835 -0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.506 -0.377 -0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.838 -3.125 -2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.945 -2.419 -0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -19.346 -0.521 -2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.370 -1.391 -3.731 1.00 0.00 H new ATOM 0 HE ARG A 59 -20.098 -2.921 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -20.893 -0.948 -1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -22.546 -1.566 -1.116 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.211 -3.682 -3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -23.288 -3.106 -2.659 1.00 0.00 H new ATOM 980 N LYS A 60 -15.786 -0.144 -4.401 1.00 0.00 N ATOM 981 CA LYS A 60 -15.992 0.778 -5.513 1.00 0.00 C ATOM 982 C LYS A 60 -16.559 -0.015 -6.698 1.00 0.00 C ATOM 983 O LYS A 60 -15.798 -0.276 -7.656 1.00 0.00 O ATOM 984 CB LYS A 60 -14.662 1.487 -5.840 1.00 0.00 C ATOM 985 CG LYS A 60 -14.103 2.347 -4.691 1.00 0.00 C ATOM 986 CD LYS A 60 -14.986 3.559 -4.359 1.00 0.00 C ATOM 987 CE LYS A 60 -14.307 4.470 -3.326 1.00 0.00 C ATOM 988 NZ LYS A 60 -15.098 5.687 -3.075 1.00 0.00 N ATOM 989 OXT LYS A 60 -17.760 -0.357 -6.621 1.00 0.00 O ATOM 0 H LYS A 60 -15.195 -0.937 -4.650 1.00 0.00 H new ATOM 0 HA LYS A 60 -16.710 1.558 -5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.920 0.736 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.807 2.121 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.997 1.728 -3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.105 2.695 -4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.190 4.124 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.947 3.218 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.171 3.924 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.314 4.747 -3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.610 6.279 -2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.206 6.220 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.036 5.423 -2.713 1.00 0.00 H new