USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 607 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 14 TYR OH : rot -179:sc= 0.769 USER MOD Set 1.2: A 36 GLN : amide:sc= 0.928 K(o=1.7,f=-2.7) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0.501 USER MOD Set 2.2: A 42 THR OG1 : rot 138:sc= 0.43 USER MOD Set 3.1: A 16 HIS : no HD1:sc= -0.191 X(o=-0.21,f=-0.38) USER MOD Set 3.2: A 55 LYS NZ :NH3+ 155:sc= -0.0207 (180deg=0) USER MOD Single : A 1 THR N :NH3+ 144:sc= 0.445 (180deg=0.0695) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 4 SER OG : rot 12:sc= 1.08 USER MOD Single : A 7 SER OG : rot 180:sc=-0.00837 USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= -0.0153 (180deg=-0.0717) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00871 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 86:sc= -0.721 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.842 USER MOD Single : A 30 THR OG1 : rot 100:sc= 1.05 USER MOD Single : A 31 SER OG : rot -1:sc= -0.104 USER MOD Single : A 32 ASN : amide:sc= -0.235 K(o=-0.23,f=-1.9!) USER MOD Single : A 33 SER OG : rot -62:sc= 0.0772 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -119:sc= -0.0324 (180deg=-0.564) USER MOD Single : A 51 THR OG1 : rot 32:sc= 0.0792 USER MOD Single : A 52 HIS : no HD1:sc= -2.69 K(o=-2.7,f=-3.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.183 K(o=0.18,f=-2.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -113:sc= 1.09 USER MOD Single : A 63 SER OG : rot -92:sc= 0.886 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.318) USER MOD Single : A 70 GLN : amide:sc= -0.354 K(o=-0.35,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 12.906 19.817 -0.885 1.00 0.00 N ATOM 2 CA THR A 1 12.559 18.631 -1.720 1.00 0.00 C ATOM 3 C THR A 1 11.988 17.516 -0.840 1.00 0.00 C ATOM 4 O THR A 1 10.884 17.052 -1.046 1.00 0.00 O ATOM 5 CB THR A 1 13.880 18.192 -2.354 1.00 0.00 C ATOM 6 OG1 THR A 1 14.662 19.339 -2.652 1.00 0.00 O ATOM 7 CG2 THR A 1 13.600 17.415 -3.641 1.00 0.00 C ATOM 0 H1 THR A 1 13.765 20.267 -1.261 1.00 0.00 H new ATOM 0 H2 THR A 1 12.121 20.498 -0.906 1.00 0.00 H new ATOM 0 H3 THR A 1 13.075 19.514 0.095 1.00 0.00 H new ATOM 0 HA THR A 1 11.804 18.861 -2.472 1.00 0.00 H new ATOM 0 HB THR A 1 14.422 17.551 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 1 15.510 19.061 -3.057 1.00 0.00 H new ATOM 0 HG21 THR A 1 14.543 17.104 -4.090 1.00 0.00 H new ATOM 0 HG22 THR A 1 12.999 16.535 -3.411 1.00 0.00 H new ATOM 0 HG23 THR A 1 13.058 18.052 -4.340 1.00 0.00 H new ATOM 17 N ARG A 2 12.732 17.084 0.142 1.00 0.00 N ATOM 18 CA ARG A 2 12.231 16.001 1.038 1.00 0.00 C ATOM 19 C ARG A 2 13.104 15.907 2.293 1.00 0.00 C ATOM 20 O ARG A 2 14.038 16.664 2.470 1.00 0.00 O ATOM 21 CB ARG A 2 12.340 14.719 0.209 1.00 0.00 C ATOM 22 CG ARG A 2 13.805 14.469 -0.160 1.00 0.00 C ATOM 23 CD ARG A 2 13.971 13.027 -0.647 1.00 0.00 C ATOM 24 NE ARG A 2 14.509 13.148 -2.031 1.00 0.00 N ATOM 25 CZ ARG A 2 14.300 12.194 -2.896 1.00 0.00 C ATOM 26 NH1 ARG A 2 15.081 11.148 -2.916 1.00 0.00 N ATOM 27 NH2 ARG A 2 13.312 12.285 -3.744 1.00 0.00 N ATOM 0 H ARG A 2 13.664 17.433 0.363 1.00 0.00 H new ATOM 0 HA ARG A 2 11.210 16.182 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 2 11.948 13.874 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.737 14.806 -0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 2 14.119 15.165 -0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 2 14.444 14.648 0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 2 14.654 12.470 -0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 2 13.020 12.495 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 2 15.040 13.976 -2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 2 15.855 11.077 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.917 10.402 -3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.702 13.103 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.150 11.539 -4.420 1.00 0.00 H new ATOM 41 N GLY A 3 12.807 14.982 3.165 1.00 0.00 N ATOM 42 CA GLY A 3 13.619 14.840 4.407 1.00 0.00 C ATOM 43 C GLY A 3 14.279 13.460 4.428 1.00 0.00 C ATOM 44 O GLY A 3 15.472 13.333 4.616 1.00 0.00 O ATOM 0 H GLY A 3 12.038 14.319 3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 3 14.380 15.620 4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.986 14.966 5.285 1.00 0.00 H new ATOM 48 N SER A 4 13.509 12.424 4.235 1.00 0.00 N ATOM 49 CA SER A 4 14.090 11.051 4.242 1.00 0.00 C ATOM 50 C SER A 4 13.059 10.042 3.725 1.00 0.00 C ATOM 51 O SER A 4 11.889 10.123 4.041 1.00 0.00 O ATOM 52 CB SER A 4 14.427 10.771 5.705 1.00 0.00 C ATOM 53 OG SER A 4 15.698 11.330 6.008 1.00 0.00 O ATOM 0 H SER A 4 12.503 12.469 4.073 1.00 0.00 H new ATOM 0 HA SER A 4 14.967 10.969 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 4 13.664 11.200 6.355 1.00 0.00 H new ATOM 0 HB3 SER A 4 14.436 9.697 5.889 1.00 0.00 H new ATOM 0 HG SER A 4 15.981 11.916 5.275 1.00 0.00 H new ATOM 59 N ASP A 5 13.482 9.093 2.935 1.00 0.00 N ATOM 60 CA ASP A 5 12.518 8.086 2.404 1.00 0.00 C ATOM 61 C ASP A 5 13.259 6.972 1.659 1.00 0.00 C ATOM 62 O ASP A 5 13.561 7.088 0.488 1.00 0.00 O ATOM 63 CB ASP A 5 11.620 8.865 1.442 1.00 0.00 C ATOM 64 CG ASP A 5 10.238 8.212 1.393 1.00 0.00 C ATOM 65 OD1 ASP A 5 10.168 7.006 1.570 1.00 0.00 O ATOM 66 OD2 ASP A 5 9.273 8.927 1.180 1.00 0.00 O ATOM 0 H ASP A 5 14.449 8.971 2.635 1.00 0.00 H new ATOM 0 HA ASP A 5 11.949 7.607 3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.533 9.902 1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.062 8.880 0.446 1.00 0.00 H new ATOM 71 N ILE A 6 13.547 5.888 2.328 1.00 0.00 N ATOM 72 CA ILE A 6 14.260 4.762 1.655 1.00 0.00 C ATOM 73 C ILE A 6 13.389 3.504 1.693 1.00 0.00 C ATOM 74 O ILE A 6 13.845 2.431 2.033 1.00 0.00 O ATOM 75 CB ILE A 6 15.540 4.552 2.465 1.00 0.00 C ATOM 76 CG1 ILE A 6 16.297 5.877 2.592 1.00 0.00 C ATOM 77 CG2 ILE A 6 16.427 3.528 1.756 1.00 0.00 C ATOM 78 CD1 ILE A 6 16.323 6.311 4.059 1.00 0.00 C ATOM 0 H ILE A 6 13.320 5.733 3.310 1.00 0.00 H new ATOM 0 HA ILE A 6 14.478 4.975 0.609 1.00 0.00 H new ATOM 0 HB ILE A 6 15.281 4.188 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.314 5.764 2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 6 15.816 6.643 1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 6 17.340 3.377 2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 6 15.892 2.582 1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 6 16.682 3.894 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 6 16.862 7.254 4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 6 15.302 6.440 4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 6 16.824 5.548 4.655 1.00 0.00 H new ATOM 90 N SER A 7 12.135 3.632 1.355 1.00 0.00 N ATOM 91 CA SER A 7 11.230 2.450 1.381 1.00 0.00 C ATOM 92 C SER A 7 11.208 1.754 0.016 1.00 0.00 C ATOM 93 O SER A 7 10.168 1.339 -0.459 1.00 0.00 O ATOM 94 CB SER A 7 9.851 3.015 1.714 1.00 0.00 C ATOM 95 OG SER A 7 9.343 3.711 0.583 1.00 0.00 O ATOM 0 H SER A 7 11.698 4.506 1.062 1.00 0.00 H new ATOM 0 HA SER A 7 11.555 1.704 2.106 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.173 2.209 1.994 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.918 3.687 2.569 1.00 0.00 H new ATOM 0 HG SER A 7 8.457 4.074 0.793 1.00 0.00 H new ATOM 101 N LYS A 8 12.340 1.617 -0.618 1.00 0.00 N ATOM 102 CA LYS A 8 12.364 0.939 -1.946 1.00 0.00 C ATOM 103 C LYS A 8 11.936 -0.519 -1.789 1.00 0.00 C ATOM 104 O LYS A 8 12.751 -1.405 -1.626 1.00 0.00 O ATOM 105 CB LYS A 8 13.815 1.031 -2.422 1.00 0.00 C ATOM 106 CG LYS A 8 14.120 2.468 -2.853 1.00 0.00 C ATOM 107 CD LYS A 8 15.243 2.461 -3.893 1.00 0.00 C ATOM 108 CE LYS A 8 15.342 3.843 -4.543 1.00 0.00 C ATOM 109 NZ LYS A 8 15.011 3.618 -5.979 1.00 0.00 N ATOM 0 H LYS A 8 13.244 1.943 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 8 11.681 1.399 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.491 0.728 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.980 0.347 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.226 2.931 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.414 3.064 -1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.190 2.201 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.047 1.703 -4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.647 4.546 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.342 4.262 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.236 4.474 -6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.568 2.818 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.997 3.405 -6.072 1.00 0.00 H new ATOM 123 N THR A 9 10.658 -0.772 -1.831 1.00 0.00 N ATOM 124 CA THR A 9 10.169 -2.169 -1.674 1.00 0.00 C ATOM 125 C THR A 9 9.156 -2.504 -2.772 1.00 0.00 C ATOM 126 O THR A 9 7.964 -2.342 -2.599 1.00 0.00 O ATOM 127 CB THR A 9 9.499 -2.197 -0.301 1.00 0.00 C ATOM 128 OG1 THR A 9 10.200 -1.334 0.586 1.00 0.00 O ATOM 129 CG2 THR A 9 9.521 -3.621 0.247 1.00 0.00 C ATOM 0 H THR A 9 9.930 -0.070 -1.967 1.00 0.00 H new ATOM 0 HA THR A 9 10.973 -2.900 -1.753 1.00 0.00 H new ATOM 0 HB THR A 9 8.466 -1.861 -0.393 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.770 -1.350 1.466 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.043 -3.641 1.226 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.983 -4.281 -0.433 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.553 -3.959 0.340 1.00 0.00 H new ATOM 137 N CYS A 10 9.620 -2.969 -3.898 1.00 0.00 N ATOM 138 CA CYS A 10 8.684 -3.316 -5.004 1.00 0.00 C ATOM 139 C CYS A 10 7.660 -4.345 -4.527 1.00 0.00 C ATOM 140 O CYS A 10 7.694 -4.792 -3.397 1.00 0.00 O ATOM 141 CB CYS A 10 9.571 -3.913 -6.097 1.00 0.00 C ATOM 142 SG CYS A 10 10.819 -2.698 -6.592 1.00 0.00 S ATOM 0 H CYS A 10 10.608 -3.124 -4.101 1.00 0.00 H new ATOM 0 HA CYS A 10 8.123 -2.451 -5.358 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.055 -4.819 -5.733 1.00 0.00 H new ATOM 0 HB3 CYS A 10 8.965 -4.198 -6.957 1.00 0.00 H new ATOM 147 N CYS A 11 6.746 -4.726 -5.376 1.00 0.00 N ATOM 148 CA CYS A 11 5.721 -5.727 -4.965 1.00 0.00 C ATOM 149 C CYS A 11 5.572 -6.809 -6.036 1.00 0.00 C ATOM 150 O CYS A 11 5.257 -6.530 -7.176 1.00 0.00 O ATOM 151 CB CYS A 11 4.425 -4.931 -4.826 1.00 0.00 C ATOM 152 SG CYS A 11 4.465 -3.978 -3.290 1.00 0.00 S ATOM 0 H CYS A 11 6.664 -4.388 -6.335 1.00 0.00 H new ATOM 0 HA CYS A 11 5.991 -6.235 -4.039 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.303 -4.262 -5.678 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.569 -5.606 -4.825 1.00 0.00 H new ATOM 157 N PHE A 12 5.790 -8.045 -5.677 1.00 0.00 N ATOM 158 CA PHE A 12 5.655 -9.147 -6.672 1.00 0.00 C ATOM 159 C PHE A 12 4.480 -10.060 -6.307 1.00 0.00 C ATOM 160 O PHE A 12 4.032 -10.858 -7.106 1.00 0.00 O ATOM 161 CB PHE A 12 6.977 -9.926 -6.621 1.00 0.00 C ATOM 162 CG PHE A 12 7.347 -10.238 -5.188 1.00 0.00 C ATOM 163 CD1 PHE A 12 6.575 -11.136 -4.440 1.00 0.00 C ATOM 164 CD2 PHE A 12 8.465 -9.626 -4.608 1.00 0.00 C ATOM 165 CE1 PHE A 12 6.922 -11.420 -3.113 1.00 0.00 C ATOM 166 CE2 PHE A 12 8.813 -9.910 -3.283 1.00 0.00 C ATOM 167 CZ PHE A 12 8.041 -10.808 -2.535 1.00 0.00 C ATOM 0 H PHE A 12 6.056 -8.339 -4.737 1.00 0.00 H new ATOM 0 HA PHE A 12 5.458 -8.759 -7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 12 6.884 -10.851 -7.190 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.769 -9.342 -7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.713 -11.609 -4.886 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.060 -8.933 -5.185 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.326 -12.111 -2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 12 9.676 -9.437 -2.837 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.309 -11.028 -1.512 1.00 0.00 H new ATOM 177 N GLN A 13 3.975 -9.953 -5.107 1.00 0.00 N ATOM 178 CA GLN A 13 2.833 -10.817 -4.703 1.00 0.00 C ATOM 179 C GLN A 13 1.701 -9.966 -4.121 1.00 0.00 C ATOM 180 O GLN A 13 1.925 -9.094 -3.304 1.00 0.00 O ATOM 181 CB GLN A 13 3.406 -11.751 -3.637 1.00 0.00 C ATOM 182 CG GLN A 13 3.796 -13.082 -4.282 1.00 0.00 C ATOM 183 CD GLN A 13 2.793 -14.161 -3.870 1.00 0.00 C ATOM 184 OE1 GLN A 13 3.175 -15.215 -3.403 1.00 0.00 O ATOM 185 NE2 GLN A 13 1.516 -13.942 -4.026 1.00 0.00 N ATOM 0 H GLN A 13 4.305 -9.305 -4.392 1.00 0.00 H new ATOM 0 HA GLN A 13 2.412 -11.366 -5.545 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.277 -11.293 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.670 -11.918 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.813 -12.981 -5.367 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.801 -13.368 -3.973 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.195 -13.057 -4.418 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.839 -14.656 -3.756 1.00 0.00 H new ATOM 194 N TYR A 14 0.488 -10.212 -4.534 1.00 0.00 N ATOM 195 CA TYR A 14 -0.654 -9.419 -4.004 1.00 0.00 C ATOM 196 C TYR A 14 -1.554 -10.299 -3.131 1.00 0.00 C ATOM 197 O TYR A 14 -1.692 -11.485 -3.361 1.00 0.00 O ATOM 198 CB TYR A 14 -1.416 -8.932 -5.240 1.00 0.00 C ATOM 199 CG TYR A 14 -0.504 -8.106 -6.122 1.00 0.00 C ATOM 200 CD1 TYR A 14 0.421 -7.221 -5.551 1.00 0.00 C ATOM 201 CD2 TYR A 14 -0.590 -8.224 -7.515 1.00 0.00 C ATOM 202 CE1 TYR A 14 1.259 -6.456 -6.373 1.00 0.00 C ATOM 203 CE2 TYR A 14 0.248 -7.460 -8.336 1.00 0.00 C ATOM 204 CZ TYR A 14 1.172 -6.576 -7.766 1.00 0.00 C ATOM 205 OH TYR A 14 1.996 -5.821 -8.577 1.00 0.00 O ATOM 0 H TYR A 14 0.239 -10.929 -5.216 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.320 -8.590 -3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.801 -9.785 -5.799 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.277 -8.337 -4.935 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.488 -7.129 -4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.303 -8.905 -7.956 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.972 -5.774 -5.933 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.182 -7.553 -9.410 1.00 0.00 H new ATOM 0 HH TYR A 14 1.796 -6.014 -9.517 1.00 0.00 H new ATOM 215 N SER A 15 -2.168 -9.726 -2.132 1.00 0.00 N ATOM 216 CA SER A 15 -3.060 -10.524 -1.244 1.00 0.00 C ATOM 217 C SER A 15 -4.430 -10.715 -1.903 1.00 0.00 C ATOM 218 O SER A 15 -5.096 -11.709 -1.695 1.00 0.00 O ATOM 219 CB SER A 15 -3.189 -9.693 0.031 1.00 0.00 C ATOM 220 OG SER A 15 -3.707 -8.410 -0.297 1.00 0.00 O ATOM 0 H SER A 15 -2.090 -8.738 -1.892 1.00 0.00 H new ATOM 0 HA SER A 15 -2.664 -11.520 -1.045 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.848 -10.194 0.741 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.217 -9.593 0.514 1.00 0.00 H new ATOM 0 HG SER A 15 -3.793 -7.874 0.519 1.00 0.00 H new ATOM 226 N HIS A 16 -4.855 -9.767 -2.694 1.00 0.00 N ATOM 227 CA HIS A 16 -6.182 -9.894 -3.364 1.00 0.00 C ATOM 228 C HIS A 16 -7.274 -10.165 -2.325 1.00 0.00 C ATOM 229 O HIS A 16 -7.945 -11.177 -2.366 1.00 0.00 O ATOM 230 CB HIS A 16 -6.036 -11.086 -4.313 1.00 0.00 C ATOM 231 CG HIS A 16 -7.118 -11.034 -5.356 1.00 0.00 C ATOM 232 ND1 HIS A 16 -7.557 -9.841 -5.910 1.00 0.00 N ATOM 233 CD2 HIS A 16 -7.861 -12.021 -5.957 1.00 0.00 C ATOM 234 CE1 HIS A 16 -8.523 -10.138 -6.799 1.00 0.00 C ATOM 235 NE2 HIS A 16 -8.747 -11.453 -6.867 1.00 0.00 N ATOM 0 H HIS A 16 -4.342 -8.911 -2.905 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.466 -8.985 -3.894 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -5.056 -11.067 -4.790 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.100 -12.019 -3.754 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -7.771 -13.078 -5.754 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -9.053 -9.402 -7.386 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -9.422 -11.937 -7.459 1.00 0.00 H new ATOM 243 N LYS A 17 -7.454 -9.269 -1.394 1.00 0.00 N ATOM 244 CA LYS A 17 -8.501 -9.474 -0.351 1.00 0.00 C ATOM 245 C LYS A 17 -8.624 -8.222 0.527 1.00 0.00 C ATOM 246 O LYS A 17 -7.648 -7.537 0.763 1.00 0.00 O ATOM 247 CB LYS A 17 -8.009 -10.665 0.475 1.00 0.00 C ATOM 248 CG LYS A 17 -9.117 -11.717 0.568 1.00 0.00 C ATOM 249 CD LYS A 17 -8.518 -13.110 0.362 1.00 0.00 C ATOM 250 CE LYS A 17 -9.017 -13.690 -0.964 1.00 0.00 C ATOM 251 NZ LYS A 17 -8.940 -15.168 -0.793 1.00 0.00 N ATOM 0 H LYS A 17 -6.922 -8.403 -1.310 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.485 -9.657 -0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.121 -11.097 0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.722 -10.335 1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.606 -11.660 1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.881 -11.523 -0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.430 -13.053 0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.801 -13.764 1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.037 -13.370 -1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.399 -13.357 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.267 -15.636 -1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.956 -15.444 -0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.543 -15.457 0.003 1.00 0.00 H new ATOM 265 N PRO A 18 -9.823 -7.959 0.985 1.00 0.00 N ATOM 266 CA PRO A 18 -10.060 -6.773 1.844 1.00 0.00 C ATOM 267 C PRO A 18 -9.471 -7.003 3.237 1.00 0.00 C ATOM 268 O PRO A 18 -9.939 -7.833 3.993 1.00 0.00 O ATOM 269 CB PRO A 18 -11.580 -6.665 1.903 1.00 0.00 C ATOM 270 CG PRO A 18 -12.078 -8.048 1.635 1.00 0.00 C ATOM 271 CD PRO A 18 -11.056 -8.725 0.757 1.00 0.00 C ATOM 0 HA PRO A 18 -9.593 -5.865 1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -11.913 -6.308 2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.954 -5.960 1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.209 -8.597 2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.050 -8.019 1.143 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.930 -9.773 1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.352 -8.700 -0.292 1.00 0.00 H new ATOM 279 N LEU A 19 -8.447 -6.274 3.578 1.00 0.00 N ATOM 280 CA LEU A 19 -7.815 -6.443 4.917 1.00 0.00 C ATOM 281 C LEU A 19 -8.755 -5.930 6.015 1.00 0.00 C ATOM 282 O LEU A 19 -9.518 -5.013 5.791 1.00 0.00 O ATOM 283 CB LEU A 19 -6.550 -5.584 4.850 1.00 0.00 C ATOM 284 CG LEU A 19 -5.400 -6.300 5.559 1.00 0.00 C ATOM 285 CD1 LEU A 19 -4.133 -6.188 4.711 1.00 0.00 C ATOM 286 CD2 LEU A 19 -5.154 -5.647 6.919 1.00 0.00 C ATOM 0 H LEU A 19 -8.018 -5.564 2.984 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.598 -7.485 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.285 -5.391 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.731 -4.616 5.317 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.658 -7.350 5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.312 -6.698 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.304 -6.649 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.878 -5.137 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.334 -6.157 7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.896 -4.598 6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.056 -5.720 7.526 1.00 0.00 H new ATOM 298 N PRO A 20 -8.668 -6.535 7.176 1.00 0.00 N ATOM 299 CA PRO A 20 -9.526 -6.111 8.310 1.00 0.00 C ATOM 300 C PRO A 20 -9.104 -4.722 8.793 1.00 0.00 C ATOM 301 O PRO A 20 -8.056 -4.551 9.382 1.00 0.00 O ATOM 302 CB PRO A 20 -9.268 -7.174 9.375 1.00 0.00 C ATOM 303 CG PRO A 20 -7.922 -7.728 9.045 1.00 0.00 C ATOM 304 CD PRO A 20 -7.779 -7.645 7.547 1.00 0.00 C ATOM 0 HA PRO A 20 -10.582 -6.034 8.053 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.283 -6.743 10.376 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.032 -7.951 9.351 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.136 -7.159 9.542 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.833 -8.759 9.386 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.748 -7.448 7.253 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.076 -8.576 7.064 1.00 0.00 H new ATOM 312 N TRP A 21 -9.911 -3.728 8.532 1.00 0.00 N ATOM 313 CA TRP A 21 -9.570 -2.335 8.953 1.00 0.00 C ATOM 314 C TRP A 21 -9.060 -2.303 10.397 1.00 0.00 C ATOM 315 O TRP A 21 -8.299 -1.435 10.776 1.00 0.00 O ATOM 316 CB TRP A 21 -10.879 -1.558 8.816 1.00 0.00 C ATOM 317 CG TRP A 21 -11.176 -1.366 7.364 1.00 0.00 C ATOM 318 CD1 TRP A 21 -12.041 -2.114 6.641 1.00 0.00 C ATOM 319 CD2 TRP A 21 -10.616 -0.385 6.444 1.00 0.00 C ATOM 320 NE1 TRP A 21 -12.048 -1.653 5.337 1.00 0.00 N ATOM 321 CE2 TRP A 21 -11.186 -0.588 5.166 1.00 0.00 C ATOM 322 CE3 TRP A 21 -9.678 0.653 6.594 1.00 0.00 C ATOM 323 CZ2 TRP A 21 -10.839 0.207 4.075 1.00 0.00 C ATOM 324 CZ3 TRP A 21 -9.327 1.457 5.497 1.00 0.00 C ATOM 325 CH2 TRP A 21 -9.905 1.234 4.240 1.00 0.00 C ATOM 0 H TRP A 21 -10.800 -3.821 8.041 1.00 0.00 H new ATOM 0 HA TRP A 21 -8.772 -1.907 8.346 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -11.692 -2.100 9.299 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -10.799 -0.593 9.316 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -12.630 -2.936 7.020 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -12.620 -2.051 4.592 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -9.225 0.833 7.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -11.289 0.031 3.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -8.607 2.252 5.623 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -9.629 1.855 3.400 1.00 0.00 H new ATOM 336 N THR A 22 -9.460 -3.244 11.204 1.00 0.00 N ATOM 337 CA THR A 22 -8.980 -3.262 12.613 1.00 0.00 C ATOM 338 C THR A 22 -7.452 -3.345 12.641 1.00 0.00 C ATOM 339 O THR A 22 -6.800 -2.743 13.470 1.00 0.00 O ATOM 340 CB THR A 22 -9.592 -4.520 13.231 1.00 0.00 C ATOM 341 OG1 THR A 22 -9.410 -5.621 12.346 1.00 0.00 O ATOM 342 CG2 THR A 22 -11.086 -4.293 13.487 1.00 0.00 C ATOM 0 H THR A 22 -10.097 -3.999 10.950 1.00 0.00 H new ATOM 0 HA THR A 22 -9.267 -2.363 13.158 1.00 0.00 H new ATOM 0 HB THR A 22 -9.099 -4.738 14.178 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.530 -6.023 12.501 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.520 -5.191 13.927 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.215 -3.454 14.171 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.587 -4.072 12.545 1.00 0.00 H new ATOM 350 N TRP A 23 -6.878 -4.095 11.739 1.00 0.00 N ATOM 351 CA TRP A 23 -5.395 -4.227 11.708 1.00 0.00 C ATOM 352 C TRP A 23 -4.798 -3.388 10.575 1.00 0.00 C ATOM 353 O TRP A 23 -3.638 -3.524 10.248 1.00 0.00 O ATOM 354 CB TRP A 23 -5.134 -5.714 11.451 1.00 0.00 C ATOM 355 CG TRP A 23 -5.668 -6.552 12.577 1.00 0.00 C ATOM 356 CD1 TRP A 23 -6.197 -6.084 13.736 1.00 0.00 C ATOM 357 CD2 TRP A 23 -5.726 -8.005 12.662 1.00 0.00 C ATOM 358 NE1 TRP A 23 -6.574 -7.160 14.520 1.00 0.00 N ATOM 359 CE2 TRP A 23 -6.304 -8.364 13.902 1.00 0.00 C ATOM 360 CE3 TRP A 23 -5.335 -9.035 11.787 1.00 0.00 C ATOM 361 CZ2 TRP A 23 -6.488 -9.700 14.261 1.00 0.00 C ATOM 362 CZ3 TRP A 23 -5.519 -10.380 12.146 1.00 0.00 C ATOM 363 CH2 TRP A 23 -6.094 -10.711 13.381 1.00 0.00 C ATOM 0 H TRP A 23 -7.375 -4.623 11.021 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.940 -3.878 12.635 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -5.604 -6.014 10.514 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -4.063 -5.886 11.340 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -6.306 -5.043 14.002 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.000 -7.074 15.443 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.891 -8.790 10.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.932 -9.951 15.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.216 -11.163 11.467 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -6.232 -11.747 13.652 1.00 0.00 H new ATOM 374 N VAL A 24 -5.570 -2.526 9.969 1.00 0.00 N ATOM 375 CA VAL A 24 -5.012 -1.697 8.863 1.00 0.00 C ATOM 376 C VAL A 24 -4.536 -0.348 9.401 1.00 0.00 C ATOM 377 O VAL A 24 -5.144 0.233 10.277 1.00 0.00 O ATOM 378 CB VAL A 24 -6.155 -1.506 7.868 1.00 0.00 C ATOM 379 CG1 VAL A 24 -5.651 -0.676 6.684 1.00 0.00 C ATOM 380 CG2 VAL A 24 -6.620 -2.873 7.363 1.00 0.00 C ATOM 0 H VAL A 24 -6.552 -2.361 10.189 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.152 -2.176 8.394 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.986 -0.994 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.461 -0.534 5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.308 0.295 7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.825 -1.197 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.436 -2.740 6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.790 -3.381 6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.966 -3.473 8.204 1.00 0.00 H new ATOM 390 N ARG A 25 -3.447 0.154 8.886 1.00 0.00 N ATOM 391 CA ARG A 25 -2.929 1.463 9.372 1.00 0.00 C ATOM 392 C ARG A 25 -2.879 2.477 8.227 1.00 0.00 C ATOM 393 O ARG A 25 -3.331 3.597 8.358 1.00 0.00 O ATOM 394 CB ARG A 25 -1.521 1.164 9.883 1.00 0.00 C ATOM 395 CG ARG A 25 -1.161 2.153 10.991 1.00 0.00 C ATOM 396 CD ARG A 25 0.065 1.644 11.750 1.00 0.00 C ATOM 397 NE ARG A 25 0.796 2.873 12.166 1.00 0.00 N ATOM 398 CZ ARG A 25 1.244 2.985 13.386 1.00 0.00 C ATOM 399 NH1 ARG A 25 0.423 2.891 14.394 1.00 0.00 N ATOM 400 NH2 ARG A 25 2.516 3.190 13.595 1.00 0.00 N ATOM 0 H ARG A 25 -2.894 -0.286 8.150 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.564 1.894 10.146 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.469 0.143 10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.803 1.239 9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.956 3.135 10.564 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.002 2.272 11.674 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.225 1.046 12.614 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.686 1.010 11.117 1.00 0.00 H new ATOM 0 HE ARG A 25 0.946 3.628 11.497 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.571 2.730 14.229 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.774 2.979 15.348 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.157 3.262 12.805 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.869 3.278 14.548 1.00 0.00 H new ATOM 414 N SER A 26 -2.330 2.097 7.105 1.00 0.00 N ATOM 415 CA SER A 26 -2.252 3.045 5.956 1.00 0.00 C ATOM 416 C SER A 26 -1.841 2.302 4.685 1.00 0.00 C ATOM 417 O SER A 26 -2.079 1.120 4.545 1.00 0.00 O ATOM 418 CB SER A 26 -1.180 4.059 6.354 1.00 0.00 C ATOM 419 OG SER A 26 0.080 3.406 6.424 1.00 0.00 O ATOM 0 H SER A 26 -1.933 1.173 6.934 1.00 0.00 H new ATOM 0 HA SER A 26 -3.209 3.523 5.748 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.142 4.870 5.627 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.425 4.506 7.318 1.00 0.00 H new ATOM 0 HG SER A 26 0.770 4.054 6.677 1.00 0.00 H new ATOM 425 N TYR A 27 -1.226 2.983 3.758 1.00 0.00 N ATOM 426 CA TYR A 27 -0.801 2.306 2.500 1.00 0.00 C ATOM 427 C TYR A 27 0.322 3.104 1.820 1.00 0.00 C ATOM 428 O TYR A 27 0.808 4.084 2.349 1.00 0.00 O ATOM 429 CB TYR A 27 -2.070 2.251 1.629 1.00 0.00 C ATOM 430 CG TYR A 27 -2.345 3.598 0.997 1.00 0.00 C ATOM 431 CD1 TYR A 27 -2.950 4.615 1.742 1.00 0.00 C ATOM 432 CD2 TYR A 27 -1.987 3.823 -0.337 1.00 0.00 C ATOM 433 CE1 TYR A 27 -3.197 5.860 1.152 1.00 0.00 C ATOM 434 CE2 TYR A 27 -2.234 5.065 -0.928 1.00 0.00 C ATOM 435 CZ TYR A 27 -2.839 6.085 -0.184 1.00 0.00 C ATOM 436 OH TYR A 27 -3.083 7.313 -0.765 1.00 0.00 O ATOM 0 H TYR A 27 -1.000 3.976 3.816 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.399 1.308 2.675 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.951 1.497 0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.922 1.949 2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.226 4.440 2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.519 3.036 -0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.663 6.647 1.726 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.958 5.238 -1.958 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.773 7.302 -1.695 1.00 0.00 H new ATOM 446 N GLU A 28 0.730 2.695 0.649 1.00 0.00 N ATOM 447 CA GLU A 28 1.815 3.433 -0.061 1.00 0.00 C ATOM 448 C GLU A 28 2.038 2.833 -1.451 1.00 0.00 C ATOM 449 O GLU A 28 2.022 1.630 -1.628 1.00 0.00 O ATOM 450 CB GLU A 28 3.060 3.247 0.807 1.00 0.00 C ATOM 451 CG GLU A 28 3.395 1.758 0.907 1.00 0.00 C ATOM 452 CD GLU A 28 4.452 1.541 1.992 1.00 0.00 C ATOM 453 OE1 GLU A 28 4.497 2.338 2.916 1.00 0.00 O ATOM 454 OE2 GLU A 28 5.197 0.582 1.883 1.00 0.00 O ATOM 0 H GLU A 28 0.360 1.884 0.154 1.00 0.00 H new ATOM 0 HA GLU A 28 1.572 4.486 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.901 3.792 0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.888 3.659 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.496 1.188 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.763 1.393 -0.052 1.00 0.00 H new ATOM 461 N PHE A 29 2.247 3.659 -2.438 1.00 0.00 N ATOM 462 CA PHE A 29 2.473 3.130 -3.811 1.00 0.00 C ATOM 463 C PHE A 29 3.939 2.716 -3.977 1.00 0.00 C ATOM 464 O PHE A 29 4.832 3.340 -3.438 1.00 0.00 O ATOM 465 CB PHE A 29 2.131 4.288 -4.748 1.00 0.00 C ATOM 466 CG PHE A 29 1.203 3.797 -5.834 1.00 0.00 C ATOM 467 CD1 PHE A 29 1.695 2.974 -6.854 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.148 4.165 -5.821 1.00 0.00 C ATOM 469 CE1 PHE A 29 0.835 2.518 -7.861 1.00 0.00 C ATOM 470 CE2 PHE A 29 -1.007 3.708 -6.828 1.00 0.00 C ATOM 471 CZ PHE A 29 -0.515 2.885 -7.849 1.00 0.00 C ATOM 0 H PHE A 29 2.271 4.675 -2.353 1.00 0.00 H new ATOM 0 HA PHE A 29 1.866 2.249 -4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.659 5.096 -4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.041 4.695 -5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.737 2.691 -6.864 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.527 4.801 -5.035 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.214 1.882 -8.648 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.049 3.990 -6.817 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.177 2.534 -8.626 1.00 0.00 H new ATOM 481 N THR A 30 4.197 1.669 -4.714 1.00 0.00 N ATOM 482 CA THR A 30 5.611 1.220 -4.907 1.00 0.00 C ATOM 483 C THR A 30 6.487 2.394 -5.358 1.00 0.00 C ATOM 484 O THR A 30 6.008 3.359 -5.920 1.00 0.00 O ATOM 485 CB THR A 30 5.550 0.146 -5.997 1.00 0.00 C ATOM 486 OG1 THR A 30 4.472 0.423 -6.880 1.00 0.00 O ATOM 487 CG2 THR A 30 5.347 -1.227 -5.353 1.00 0.00 C ATOM 0 H THR A 30 3.493 1.105 -5.191 1.00 0.00 H new ATOM 0 HA THR A 30 6.046 0.836 -3.984 1.00 0.00 H new ATOM 0 HB THR A 30 6.485 0.147 -6.558 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.815 0.855 -7.690 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.304 -1.990 -6.130 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.178 -1.440 -4.681 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.414 -1.230 -4.789 1.00 0.00 H new ATOM 495 N SER A 31 7.767 2.320 -5.113 1.00 0.00 N ATOM 496 CA SER A 31 8.673 3.432 -5.523 1.00 0.00 C ATOM 497 C SER A 31 8.643 3.610 -7.045 1.00 0.00 C ATOM 498 O SER A 31 7.949 2.903 -7.748 1.00 0.00 O ATOM 499 CB SER A 31 10.066 3.000 -5.066 1.00 0.00 C ATOM 500 OG SER A 31 10.359 1.716 -5.602 1.00 0.00 O ATOM 0 H SER A 31 8.225 1.537 -4.646 1.00 0.00 H new ATOM 0 HA SER A 31 8.376 4.385 -5.085 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.811 3.724 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.112 2.971 -3.977 1.00 0.00 H new ATOM 0 HG SER A 31 9.594 1.397 -6.125 1.00 0.00 H new ATOM 506 N ASN A 32 9.392 4.551 -7.554 1.00 0.00 N ATOM 507 CA ASN A 32 9.410 4.777 -9.029 1.00 0.00 C ATOM 508 C ASN A 32 10.509 3.935 -9.693 1.00 0.00 C ATOM 509 O ASN A 32 10.771 4.066 -10.872 1.00 0.00 O ATOM 510 CB ASN A 32 9.705 6.269 -9.195 1.00 0.00 C ATOM 511 CG ASN A 32 9.440 6.684 -10.643 1.00 0.00 C ATOM 512 OD1 ASN A 32 8.654 6.065 -11.331 1.00 0.00 O ATOM 513 ND2 ASN A 32 10.067 7.716 -11.139 1.00 0.00 N ATOM 0 H ASN A 32 9.992 5.173 -7.013 1.00 0.00 H new ATOM 0 HA ASN A 32 8.470 4.488 -9.498 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.080 6.852 -8.518 1.00 0.00 H new ATOM 0 HB3 ASN A 32 10.742 6.477 -8.930 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.896 8.001 -12.103 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.728 8.237 -10.562 1.00 0.00 H new ATOM 520 N SER A 33 11.156 3.074 -8.952 1.00 0.00 N ATOM 521 CA SER A 33 12.231 2.238 -9.551 1.00 0.00 C ATOM 522 C SER A 33 11.922 0.752 -9.351 1.00 0.00 C ATOM 523 O SER A 33 12.751 -0.007 -8.889 1.00 0.00 O ATOM 524 CB SER A 33 13.502 2.628 -8.800 1.00 0.00 C ATOM 525 OG SER A 33 14.633 2.115 -9.492 1.00 0.00 O ATOM 0 H SER A 33 10.985 2.916 -7.959 1.00 0.00 H new ATOM 0 HA SER A 33 12.327 2.399 -10.625 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.572 3.713 -8.719 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.473 2.234 -7.784 1.00 0.00 H new ATOM 0 HG SER A 33 14.585 1.136 -9.517 1.00 0.00 H new ATOM 531 N CYS A 34 10.737 0.331 -9.697 1.00 0.00 N ATOM 532 CA CYS A 34 10.379 -1.106 -9.526 1.00 0.00 C ATOM 533 C CYS A 34 10.002 -1.721 -10.877 1.00 0.00 C ATOM 534 O CYS A 34 9.493 -1.052 -11.755 1.00 0.00 O ATOM 535 CB CYS A 34 9.181 -1.108 -8.577 1.00 0.00 C ATOM 536 SG CYS A 34 9.770 -0.994 -6.869 1.00 0.00 S ATOM 0 H CYS A 34 10.002 0.918 -10.090 1.00 0.00 H new ATOM 0 HA CYS A 34 11.207 -1.694 -9.132 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.522 -0.270 -8.803 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.597 -2.018 -8.712 1.00 0.00 H new ATOM 541 N SER A 35 10.252 -2.990 -11.051 1.00 0.00 N ATOM 542 CA SER A 35 9.912 -3.648 -12.346 1.00 0.00 C ATOM 543 C SER A 35 8.397 -3.648 -12.565 1.00 0.00 C ATOM 544 O SER A 35 7.924 -3.678 -13.684 1.00 0.00 O ATOM 545 CB SER A 35 10.432 -5.078 -12.210 1.00 0.00 C ATOM 546 OG SER A 35 11.758 -5.145 -12.719 1.00 0.00 O ATOM 0 H SER A 35 10.677 -3.600 -10.353 1.00 0.00 H new ATOM 0 HA SER A 35 10.353 -3.130 -13.198 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.415 -5.386 -11.164 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.786 -5.766 -12.755 1.00 0.00 H new ATOM 0 HG SER A 35 12.096 -6.061 -12.632 1.00 0.00 H new ATOM 552 N GLN A 36 7.632 -3.618 -11.509 1.00 0.00 N ATOM 553 CA GLN A 36 6.149 -3.620 -11.668 1.00 0.00 C ATOM 554 C GLN A 36 5.507 -2.643 -10.678 1.00 0.00 C ATOM 555 O GLN A 36 5.703 -2.736 -9.483 1.00 0.00 O ATOM 556 CB GLN A 36 5.720 -5.054 -11.360 1.00 0.00 C ATOM 557 CG GLN A 36 4.380 -5.346 -12.039 1.00 0.00 C ATOM 558 CD GLN A 36 3.672 -6.484 -11.303 1.00 0.00 C ATOM 559 OE1 GLN A 36 2.480 -6.431 -11.081 1.00 0.00 O ATOM 560 NE2 GLN A 36 4.364 -7.519 -10.910 1.00 0.00 N ATOM 0 H GLN A 36 7.967 -3.592 -10.546 1.00 0.00 H new ATOM 0 HA GLN A 36 5.841 -3.307 -12.666 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.478 -5.754 -11.712 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.632 -5.194 -10.283 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.756 -4.452 -12.035 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.541 -5.618 -13.082 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.366 -7.563 -11.097 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.903 -8.283 -10.416 1.00 0.00 H new ATOM 569 N ARG A 37 4.736 -1.711 -11.169 1.00 0.00 N ATOM 570 CA ARG A 37 4.077 -0.734 -10.258 1.00 0.00 C ATOM 571 C ARG A 37 2.935 -1.413 -9.498 1.00 0.00 C ATOM 572 O ARG A 37 2.280 -2.300 -10.007 1.00 0.00 O ATOM 573 CB ARG A 37 3.535 0.363 -11.175 1.00 0.00 C ATOM 574 CG ARG A 37 4.413 1.610 -11.052 1.00 0.00 C ATOM 575 CD ARG A 37 4.762 2.131 -12.448 1.00 0.00 C ATOM 576 NE ARG A 37 3.523 2.806 -12.923 1.00 0.00 N ATOM 577 CZ ARG A 37 3.523 3.448 -14.060 1.00 0.00 C ATOM 578 NH1 ARG A 37 4.336 3.087 -15.016 1.00 0.00 N ATOM 579 NH2 ARG A 37 2.708 4.450 -14.242 1.00 0.00 N ATOM 0 H ARG A 37 4.535 -1.584 -12.161 1.00 0.00 H new ATOM 0 HA ARG A 37 4.764 -0.335 -9.512 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.522 0.015 -12.208 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.506 0.602 -10.906 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.891 2.381 -10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.324 1.373 -10.503 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.602 2.825 -12.413 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.049 1.317 -13.114 1.00 0.00 H new ATOM 0 HE ARG A 37 2.673 2.767 -12.360 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.972 2.302 -14.875 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.335 3.590 -15.904 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.071 4.731 -13.496 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.707 4.952 -15.130 1.00 0.00 H new ATOM 593 N ALA A 38 2.697 -1.007 -8.282 1.00 0.00 N ATOM 594 CA ALA A 38 1.602 -1.631 -7.489 1.00 0.00 C ATOM 595 C ALA A 38 1.302 -0.787 -6.247 1.00 0.00 C ATOM 596 O ALA A 38 1.914 0.237 -6.017 1.00 0.00 O ATOM 597 CB ALA A 38 2.142 -3.004 -7.087 1.00 0.00 C ATOM 0 H ALA A 38 3.214 -0.270 -7.803 1.00 0.00 H new ATOM 0 HA ALA A 38 0.672 -1.706 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.392 -3.531 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.371 -3.582 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.048 -2.879 -6.494 1.00 0.00 H new ATOM 603 N VAL A 39 0.367 -1.213 -5.443 1.00 0.00 N ATOM 604 CA VAL A 39 0.029 -0.440 -4.214 1.00 0.00 C ATOM 605 C VAL A 39 0.265 -1.309 -2.979 1.00 0.00 C ATOM 606 O VAL A 39 0.236 -2.520 -3.053 1.00 0.00 O ATOM 607 CB VAL A 39 -1.454 -0.100 -4.359 1.00 0.00 C ATOM 608 CG1 VAL A 39 -1.946 0.602 -3.093 1.00 0.00 C ATOM 609 CG2 VAL A 39 -1.647 0.827 -5.562 1.00 0.00 C ATOM 0 H VAL A 39 -0.178 -2.064 -5.584 1.00 0.00 H new ATOM 0 HA VAL A 39 0.639 0.456 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.023 -1.018 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.004 0.844 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.808 -0.056 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.378 1.520 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.704 1.071 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.077 1.743 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.298 0.328 -6.466 1.00 0.00 H new ATOM 619 N ILE A 40 0.509 -0.712 -1.846 1.00 0.00 N ATOM 620 CA ILE A 40 0.754 -1.527 -0.625 1.00 0.00 C ATOM 621 C ILE A 40 -0.134 -1.055 0.529 1.00 0.00 C ATOM 622 O ILE A 40 -0.270 0.124 0.785 1.00 0.00 O ATOM 623 CB ILE A 40 2.231 -1.302 -0.304 1.00 0.00 C ATOM 624 CG1 ILE A 40 3.086 -1.886 -1.428 1.00 0.00 C ATOM 625 CG2 ILE A 40 2.589 -1.996 1.012 1.00 0.00 C ATOM 626 CD1 ILE A 40 4.434 -1.165 -1.477 1.00 0.00 C ATOM 0 H ILE A 40 0.549 0.299 -1.713 1.00 0.00 H new ATOM 0 HA ILE A 40 0.521 -2.581 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 40 2.419 -0.232 -0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.239 -2.953 -1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.571 -1.780 -2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.643 -1.832 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.980 -1.586 1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.400 -3.066 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.042 -1.584 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.272 -0.103 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.950 -1.294 -0.526 1.00 0.00 H new ATOM 638 N PHE A 41 -0.722 -1.980 1.239 1.00 0.00 N ATOM 639 CA PHE A 41 -1.586 -1.609 2.394 1.00 0.00 C ATOM 640 C PHE A 41 -0.853 -1.956 3.689 1.00 0.00 C ATOM 641 O PHE A 41 -0.455 -3.085 3.900 1.00 0.00 O ATOM 642 CB PHE A 41 -2.844 -2.465 2.247 1.00 0.00 C ATOM 643 CG PHE A 41 -3.673 -1.959 1.091 1.00 0.00 C ATOM 644 CD1 PHE A 41 -3.928 -0.590 0.956 1.00 0.00 C ATOM 645 CD2 PHE A 41 -4.187 -2.863 0.154 1.00 0.00 C ATOM 646 CE1 PHE A 41 -4.698 -0.123 -0.116 1.00 0.00 C ATOM 647 CE2 PHE A 41 -4.957 -2.397 -0.918 1.00 0.00 C ATOM 648 CZ PHE A 41 -5.213 -1.027 -1.053 1.00 0.00 C ATOM 0 H PHE A 41 -0.640 -2.982 1.067 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.829 -0.547 2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.569 -3.507 2.081 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.427 -2.432 3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.531 0.107 1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.990 -3.920 0.258 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.895 0.934 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.354 -3.094 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.808 -0.668 -1.880 1.00 0.00 H new ATOM 658 N THR A 42 -0.648 -1.000 4.547 1.00 0.00 N ATOM 659 CA THR A 42 0.085 -1.288 5.804 1.00 0.00 C ATOM 660 C THR A 42 -0.888 -1.632 6.935 1.00 0.00 C ATOM 661 O THR A 42 -1.993 -1.130 6.995 1.00 0.00 O ATOM 662 CB THR A 42 0.869 -0.008 6.115 1.00 0.00 C ATOM 663 OG1 THR A 42 0.783 0.906 5.026 1.00 0.00 O ATOM 664 CG2 THR A 42 2.332 -0.367 6.353 1.00 0.00 C ATOM 0 H THR A 42 -0.956 -0.034 4.432 1.00 0.00 H new ATOM 0 HA THR A 42 0.746 -2.149 5.703 1.00 0.00 H new ATOM 0 HB THR A 42 0.445 0.461 7.003 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.643 1.813 5.370 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.897 0.538 6.575 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.405 -1.056 7.194 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.741 -0.840 5.460 1.00 0.00 H new ATOM 672 N THR A 43 -0.480 -2.499 7.825 1.00 0.00 N ATOM 673 CA THR A 43 -1.375 -2.899 8.950 1.00 0.00 C ATOM 674 C THR A 43 -0.866 -2.342 10.281 1.00 0.00 C ATOM 675 O THR A 43 0.133 -1.653 10.339 1.00 0.00 O ATOM 676 CB THR A 43 -1.328 -4.429 8.966 1.00 0.00 C ATOM 677 OG1 THR A 43 -0.037 -4.868 8.565 1.00 0.00 O ATOM 678 CG2 THR A 43 -2.378 -4.987 8.007 1.00 0.00 C ATOM 0 H THR A 43 0.436 -2.948 7.821 1.00 0.00 H new ATOM 0 HA THR A 43 -2.386 -2.513 8.817 1.00 0.00 H new ATOM 0 HB THR A 43 -1.537 -4.786 9.975 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.006 -5.847 8.576 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.341 -6.076 8.021 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.368 -4.653 8.317 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.175 -4.630 6.997 1.00 0.00 H new ATOM 686 N LYS A 44 -1.551 -2.642 11.351 1.00 0.00 N ATOM 687 CA LYS A 44 -1.117 -2.142 12.686 1.00 0.00 C ATOM 688 C LYS A 44 -0.021 -3.042 13.271 1.00 0.00 C ATOM 689 O LYS A 44 0.420 -2.849 14.386 1.00 0.00 O ATOM 690 CB LYS A 44 -2.373 -2.198 13.557 1.00 0.00 C ATOM 691 CG LYS A 44 -3.462 -1.319 12.940 1.00 0.00 C ATOM 692 CD LYS A 44 -4.049 -0.403 14.016 1.00 0.00 C ATOM 693 CE LYS A 44 -5.393 0.152 13.539 1.00 0.00 C ATOM 694 NZ LYS A 44 -5.254 1.632 13.641 1.00 0.00 N ATOM 0 H LYS A 44 -2.396 -3.214 11.358 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.700 -1.137 12.628 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.725 -3.226 13.641 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.144 -1.857 14.566 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.046 -0.723 12.127 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.246 -1.942 12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.182 -0.956 14.946 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.360 0.415 14.227 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.606 -0.155 12.515 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.213 -0.212 14.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.137 2.086 13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.058 1.895 14.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.470 1.950 13.036 1.00 0.00 H new ATOM 708 N ARG A 45 0.420 -4.028 12.534 1.00 0.00 N ATOM 709 CA ARG A 45 1.482 -4.934 13.059 1.00 0.00 C ATOM 710 C ARG A 45 2.864 -4.500 12.556 1.00 0.00 C ATOM 711 O ARG A 45 3.875 -5.043 12.955 1.00 0.00 O ATOM 712 CB ARG A 45 1.125 -6.315 12.508 1.00 0.00 C ATOM 713 CG ARG A 45 0.836 -7.269 13.667 1.00 0.00 C ATOM 714 CD ARG A 45 2.043 -8.183 13.886 1.00 0.00 C ATOM 715 NE ARG A 45 1.510 -9.355 14.634 1.00 0.00 N ATOM 716 CZ ARG A 45 2.303 -10.057 15.396 1.00 0.00 C ATOM 717 NH1 ARG A 45 3.524 -10.310 15.008 1.00 0.00 N ATOM 718 NH2 ARG A 45 1.878 -10.505 16.544 1.00 0.00 N ATOM 0 H ARG A 45 0.091 -4.244 11.593 1.00 0.00 H new ATOM 0 HA ARG A 45 1.528 -4.921 14.148 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.254 -6.244 11.856 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.946 -6.700 11.903 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.625 -6.703 14.574 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.051 -7.865 13.450 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.484 -8.488 12.937 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.824 -7.676 14.452 1.00 0.00 H new ATOM 0 HE ARG A 45 0.526 -9.609 14.551 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.857 -9.959 14.110 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.145 -10.859 15.603 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.925 -10.307 16.847 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.499 -11.054 17.139 1.00 0.00 H new ATOM 732 N GLY A 46 2.922 -3.530 11.682 1.00 0.00 N ATOM 733 CA GLY A 46 4.242 -3.076 11.160 1.00 0.00 C ATOM 734 C GLY A 46 4.591 -3.850 9.883 1.00 0.00 C ATOM 735 O GLY A 46 5.699 -3.777 9.390 1.00 0.00 O ATOM 0 H GLY A 46 2.113 -3.034 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.212 -2.007 10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.014 -3.232 11.913 1.00 0.00 H new ATOM 739 N LYS A 47 3.658 -4.587 9.340 1.00 0.00 N ATOM 740 CA LYS A 47 3.942 -5.354 8.097 1.00 0.00 C ATOM 741 C LYS A 47 3.188 -4.730 6.922 1.00 0.00 C ATOM 742 O LYS A 47 1.981 -4.606 6.944 1.00 0.00 O ATOM 743 CB LYS A 47 3.431 -6.768 8.377 1.00 0.00 C ATOM 744 CG LYS A 47 4.508 -7.789 8.001 1.00 0.00 C ATOM 745 CD LYS A 47 4.096 -9.172 8.509 1.00 0.00 C ATOM 746 CE LYS A 47 3.397 -9.943 7.386 1.00 0.00 C ATOM 747 NZ LYS A 47 4.127 -11.239 7.296 1.00 0.00 N ATOM 0 H LYS A 47 2.711 -4.689 9.706 1.00 0.00 H new ATOM 0 HA LYS A 47 5.001 -5.353 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.172 -6.870 9.431 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.522 -6.957 7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.642 -7.812 6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.466 -7.500 8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.973 -9.722 8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.429 -9.072 9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.342 -10.099 7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.444 -9.397 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.705 -11.824 6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.127 -11.059 7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.059 -11.740 8.205 1.00 0.00 H new ATOM 761 N LYS A 48 3.889 -4.329 5.899 1.00 0.00 N ATOM 762 CA LYS A 48 3.206 -3.703 4.729 1.00 0.00 C ATOM 763 C LYS A 48 2.840 -4.775 3.696 1.00 0.00 C ATOM 764 O LYS A 48 3.668 -5.568 3.293 1.00 0.00 O ATOM 765 CB LYS A 48 4.219 -2.714 4.135 1.00 0.00 C ATOM 766 CG LYS A 48 4.885 -1.893 5.248 1.00 0.00 C ATOM 767 CD LYS A 48 5.129 -0.468 4.749 1.00 0.00 C ATOM 768 CE LYS A 48 6.517 -0.381 4.110 1.00 0.00 C ATOM 769 NZ LYS A 48 7.469 -0.383 5.255 1.00 0.00 N ATOM 0 H LYS A 48 4.903 -4.407 5.821 1.00 0.00 H new ATOM 0 HA LYS A 48 2.282 -3.204 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.978 -3.256 3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.717 -2.047 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.249 -1.877 6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.828 -2.354 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.365 -0.190 4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.054 0.237 5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.699 -1.225 3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.620 0.525 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.017 0.501 5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.939 -0.459 6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.116 -1.192 5.167 1.00 0.00 H new ATOM 783 N VAL A 49 1.606 -4.807 3.266 1.00 0.00 N ATOM 784 CA VAL A 49 1.192 -5.829 2.259 1.00 0.00 C ATOM 785 C VAL A 49 1.072 -5.189 0.872 1.00 0.00 C ATOM 786 O VAL A 49 0.656 -4.056 0.739 1.00 0.00 O ATOM 787 CB VAL A 49 -0.171 -6.324 2.740 1.00 0.00 C ATOM 788 CG1 VAL A 49 -0.674 -7.424 1.805 1.00 0.00 C ATOM 789 CG2 VAL A 49 -0.036 -6.884 4.157 1.00 0.00 C ATOM 0 H VAL A 49 0.868 -4.171 3.568 1.00 0.00 H new ATOM 0 HA VAL A 49 1.915 -6.640 2.171 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.879 -5.496 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.646 -7.777 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.768 -7.027 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.034 -8.253 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.007 -7.238 4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.672 -7.713 4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.323 -6.101 4.825 1.00 0.00 H new ATOM 799 N CYS A 50 1.436 -5.902 -0.160 1.00 0.00 N ATOM 800 CA CYS A 50 1.346 -5.326 -1.534 1.00 0.00 C ATOM 801 C CYS A 50 -0.022 -5.624 -2.158 1.00 0.00 C ATOM 802 O CYS A 50 -0.771 -6.451 -1.676 1.00 0.00 O ATOM 803 CB CYS A 50 2.455 -6.023 -2.325 1.00 0.00 C ATOM 804 SG CYS A 50 4.062 -5.337 -1.850 1.00 0.00 S ATOM 0 H CYS A 50 1.791 -6.857 -0.112 1.00 0.00 H new ATOM 0 HA CYS A 50 1.458 -4.242 -1.530 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.435 -7.096 -2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.293 -5.889 -3.394 1.00 0.00 H new ATOM 809 N THR A 51 -0.350 -4.952 -3.229 1.00 0.00 N ATOM 810 CA THR A 51 -1.664 -5.185 -3.896 1.00 0.00 C ATOM 811 C THR A 51 -1.617 -4.677 -5.341 1.00 0.00 C ATOM 812 O THR A 51 -0.577 -4.299 -5.844 1.00 0.00 O ATOM 813 CB THR A 51 -2.674 -4.379 -3.077 1.00 0.00 C ATOM 814 OG1 THR A 51 -2.063 -3.178 -2.624 1.00 0.00 O ATOM 815 CG2 THR A 51 -3.138 -5.204 -1.877 1.00 0.00 C ATOM 0 H THR A 51 0.239 -4.248 -3.673 1.00 0.00 H new ATOM 0 HA THR A 51 -1.926 -6.242 -3.937 1.00 0.00 H new ATOM 0 HB THR A 51 -3.535 -4.136 -3.700 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.404 -2.877 -3.284 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.857 -4.627 -1.295 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.608 -6.123 -2.227 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.280 -5.451 -1.251 1.00 0.00 H new ATOM 823 N HIS A 52 -2.737 -4.662 -6.013 1.00 0.00 N ATOM 824 CA HIS A 52 -2.756 -4.179 -7.422 1.00 0.00 C ATOM 825 C HIS A 52 -3.637 -2.927 -7.542 1.00 0.00 C ATOM 826 O HIS A 52 -4.659 -2.832 -6.894 1.00 0.00 O ATOM 827 CB HIS A 52 -3.353 -5.336 -8.226 1.00 0.00 C ATOM 828 CG HIS A 52 -2.812 -5.307 -9.630 1.00 0.00 C ATOM 829 ND1 HIS A 52 -1.465 -5.120 -9.900 1.00 0.00 N ATOM 830 CD2 HIS A 52 -3.424 -5.441 -10.852 1.00 0.00 C ATOM 831 CE1 HIS A 52 -1.313 -5.146 -11.238 1.00 0.00 C ATOM 832 NE2 HIS A 52 -2.476 -5.339 -11.866 1.00 0.00 N ATOM 0 H HIS A 52 -3.640 -4.964 -5.646 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.764 -3.903 -7.779 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.109 -6.286 -7.751 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.440 -5.258 -8.243 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.481 -5.601 -11.003 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.366 -5.025 -11.742 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.635 -5.399 -12.872 1.00 0.00 H new ATOM 840 N PRO A 53 -3.213 -2.002 -8.368 1.00 0.00 N ATOM 841 CA PRO A 53 -3.985 -0.751 -8.560 1.00 0.00 C ATOM 842 C PRO A 53 -5.186 -0.994 -9.479 1.00 0.00 C ATOM 843 O PRO A 53 -6.154 -0.261 -9.455 1.00 0.00 O ATOM 844 CB PRO A 53 -2.983 0.191 -9.221 1.00 0.00 C ATOM 845 CG PRO A 53 -1.992 -0.699 -9.905 1.00 0.00 C ATOM 846 CD PRO A 53 -1.994 -2.027 -9.188 1.00 0.00 C ATOM 0 HA PRO A 53 -4.390 -0.354 -7.629 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.476 0.851 -9.934 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.495 0.827 -8.482 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.257 -0.831 -10.954 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.998 -0.253 -9.881 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.007 -2.858 -9.893 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.103 -2.146 -8.571 1.00 0.00 H new ATOM 854 N ARG A 54 -5.130 -2.013 -10.293 1.00 0.00 N ATOM 855 CA ARG A 54 -6.271 -2.290 -11.215 1.00 0.00 C ATOM 856 C ARG A 54 -7.499 -2.752 -10.424 1.00 0.00 C ATOM 857 O ARG A 54 -8.603 -2.303 -10.657 1.00 0.00 O ATOM 858 CB ARG A 54 -5.775 -3.403 -12.141 1.00 0.00 C ATOM 859 CG ARG A 54 -6.142 -3.064 -13.589 1.00 0.00 C ATOM 860 CD ARG A 54 -6.493 -4.349 -14.344 1.00 0.00 C ATOM 861 NE ARG A 54 -5.181 -4.953 -14.711 1.00 0.00 N ATOM 862 CZ ARG A 54 -4.829 -5.039 -15.965 1.00 0.00 C ATOM 863 NH1 ARG A 54 -5.568 -5.708 -16.807 1.00 0.00 N ATOM 864 NH2 ARG A 54 -3.735 -4.459 -16.379 1.00 0.00 N ATOM 0 H ARG A 54 -4.348 -2.664 -10.360 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.573 -1.403 -11.771 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.695 -3.516 -12.045 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.222 -4.355 -11.855 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.987 -2.376 -13.609 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.308 -2.559 -14.077 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.078 -5.025 -13.721 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.090 -4.135 -15.230 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.558 -5.299 -13.982 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.422 -6.164 -16.485 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.292 -5.775 -17.787 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.154 -3.938 -15.722 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.461 -4.527 -17.359 1.00 0.00 H new ATOM 878 N LYS A 55 -7.317 -3.645 -9.489 1.00 0.00 N ATOM 879 CA LYS A 55 -8.479 -4.128 -8.687 1.00 0.00 C ATOM 880 C LYS A 55 -9.233 -2.943 -8.078 1.00 0.00 C ATOM 881 O LYS A 55 -8.706 -2.214 -7.260 1.00 0.00 O ATOM 882 CB LYS A 55 -7.866 -4.995 -7.589 1.00 0.00 C ATOM 883 CG LYS A 55 -8.344 -6.439 -7.753 1.00 0.00 C ATOM 884 CD LYS A 55 -7.728 -7.038 -9.019 1.00 0.00 C ATOM 885 CE LYS A 55 -6.279 -7.443 -8.739 1.00 0.00 C ATOM 886 NZ LYS A 55 -6.180 -8.856 -9.201 1.00 0.00 N ATOM 0 H LYS A 55 -6.418 -4.060 -9.246 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.197 -4.682 -9.292 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.778 -4.953 -7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.152 -4.615 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.059 -7.029 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.432 -6.469 -7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.304 -7.906 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.764 -6.313 -9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.579 -6.802 -9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.042 -7.357 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.193 -9.073 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.498 -9.492 -8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.781 -8.990 -10.039 1.00 0.00 H new ATOM 900 N LYS A 56 -10.461 -2.744 -8.472 1.00 0.00 N ATOM 901 CA LYS A 56 -11.248 -1.604 -7.918 1.00 0.00 C ATOM 902 C LYS A 56 -11.242 -1.642 -6.386 1.00 0.00 C ATOM 903 O LYS A 56 -11.296 -0.618 -5.734 1.00 0.00 O ATOM 904 CB LYS A 56 -12.665 -1.805 -8.455 1.00 0.00 C ATOM 905 CG LYS A 56 -13.193 -3.173 -8.018 1.00 0.00 C ATOM 906 CD LYS A 56 -14.107 -3.739 -9.107 1.00 0.00 C ATOM 907 CE LYS A 56 -14.977 -4.851 -8.518 1.00 0.00 C ATOM 908 NZ LYS A 56 -15.935 -5.203 -9.602 1.00 0.00 N ATOM 0 H LYS A 56 -10.954 -3.321 -9.153 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.833 -0.639 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.320 -1.016 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.665 -1.735 -9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.362 -3.854 -7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.741 -3.081 -7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.736 -2.948 -9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.510 -4.128 -9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.375 -5.712 -8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.500 -4.512 -7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.567 -5.961 -9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.499 -4.366 -9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.409 -5.529 -10.438 1.00 0.00 H new ATOM 922 N TRP A 57 -11.177 -2.808 -5.805 1.00 0.00 N ATOM 923 CA TRP A 57 -11.169 -2.890 -4.316 1.00 0.00 C ATOM 924 C TRP A 57 -9.893 -2.224 -3.767 1.00 0.00 C ATOM 925 O TRP A 57 -9.913 -1.573 -2.741 1.00 0.00 O ATOM 926 CB TRP A 57 -11.253 -4.405 -3.999 1.00 0.00 C ATOM 927 CG TRP A 57 -9.913 -4.973 -3.628 1.00 0.00 C ATOM 928 CD1 TRP A 57 -9.169 -5.792 -4.405 1.00 0.00 C ATOM 929 CD2 TRP A 57 -9.155 -4.775 -2.400 1.00 0.00 C ATOM 930 NE1 TRP A 57 -8.000 -6.103 -3.735 1.00 0.00 N ATOM 931 CE2 TRP A 57 -7.945 -5.501 -2.494 1.00 0.00 C ATOM 932 CE3 TRP A 57 -9.399 -4.040 -1.226 1.00 0.00 C ATOM 933 CZ2 TRP A 57 -7.010 -5.497 -1.460 1.00 0.00 C ATOM 934 CZ3 TRP A 57 -8.458 -4.036 -0.182 1.00 0.00 C ATOM 935 CH2 TRP A 57 -7.266 -4.763 -0.300 1.00 0.00 C ATOM 0 H TRP A 57 -11.129 -3.703 -6.292 1.00 0.00 H new ATOM 0 HA TRP A 57 -11.998 -2.362 -3.844 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.955 -4.567 -3.181 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.646 -4.936 -4.866 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -9.443 -6.145 -5.388 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.267 -6.704 -4.112 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -10.314 -3.476 -1.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -6.092 -6.059 -1.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.655 -3.469 0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -6.546 -4.756 0.505 1.00 0.00 H new ATOM 946 N VAL A 58 -8.790 -2.378 -4.450 1.00 0.00 N ATOM 947 CA VAL A 58 -7.523 -1.750 -3.974 1.00 0.00 C ATOM 948 C VAL A 58 -7.628 -0.230 -4.075 1.00 0.00 C ATOM 949 O VAL A 58 -7.328 0.487 -3.141 1.00 0.00 O ATOM 950 CB VAL A 58 -6.437 -2.272 -4.914 1.00 0.00 C ATOM 951 CG1 VAL A 58 -5.083 -1.698 -4.493 1.00 0.00 C ATOM 952 CG2 VAL A 58 -6.393 -3.799 -4.837 1.00 0.00 C ATOM 0 H VAL A 58 -8.712 -2.911 -5.316 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.307 -1.992 -2.933 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.658 -1.966 -5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.307 -2.069 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.117 -0.610 -4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.859 -2.006 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.619 -4.175 -5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.169 -4.105 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.359 -4.206 -5.134 1.00 0.00 H new ATOM 962 N GLN A 59 -8.070 0.268 -5.198 1.00 0.00 N ATOM 963 CA GLN A 59 -8.210 1.739 -5.347 1.00 0.00 C ATOM 964 C GLN A 59 -9.221 2.237 -4.321 1.00 0.00 C ATOM 965 O GLN A 59 -9.112 3.327 -3.793 1.00 0.00 O ATOM 966 CB GLN A 59 -8.729 1.951 -6.771 1.00 0.00 C ATOM 967 CG GLN A 59 -7.641 1.559 -7.773 1.00 0.00 C ATOM 968 CD GLN A 59 -6.693 2.742 -7.985 1.00 0.00 C ATOM 969 OE1 GLN A 59 -6.925 3.820 -7.476 1.00 0.00 O ATOM 970 NE2 GLN A 59 -5.627 2.585 -8.722 1.00 0.00 N ATOM 0 H GLN A 59 -8.339 -0.281 -6.015 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.277 2.279 -5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.624 1.351 -6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.013 2.994 -6.915 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.086 0.696 -7.405 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.093 1.267 -8.721 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.432 1.680 -9.150 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.990 3.367 -8.870 1.00 0.00 H new ATOM 979 N LYS A 60 -10.200 1.427 -4.024 1.00 0.00 N ATOM 980 CA LYS A 60 -11.215 1.828 -3.018 1.00 0.00 C ATOM 981 C LYS A 60 -10.559 1.907 -1.641 1.00 0.00 C ATOM 982 O LYS A 60 -10.933 2.705 -0.806 1.00 0.00 O ATOM 983 CB LYS A 60 -12.269 0.720 -3.049 1.00 0.00 C ATOM 984 CG LYS A 60 -13.599 1.292 -3.547 1.00 0.00 C ATOM 985 CD LYS A 60 -14.281 0.271 -4.460 1.00 0.00 C ATOM 986 CE LYS A 60 -15.604 0.847 -4.970 1.00 0.00 C ATOM 987 NZ LYS A 60 -16.576 -0.277 -4.865 1.00 0.00 N ATOM 0 H LYS A 60 -10.338 0.505 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.654 2.803 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.942 -0.089 -3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.394 0.295 -2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.245 1.529 -2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.428 2.223 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.631 0.027 -5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.461 -0.656 -3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.921 1.701 -4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.513 1.196 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.510 0.039 -5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.251 -1.073 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.647 -0.583 -3.874 1.00 0.00 H new ATOM 1001 N TYR A 61 -9.575 1.082 -1.400 1.00 0.00 N ATOM 1002 CA TYR A 61 -8.893 1.113 -0.079 1.00 0.00 C ATOM 1003 C TYR A 61 -7.877 2.247 -0.034 1.00 0.00 C ATOM 1004 O TYR A 61 -7.733 2.913 0.964 1.00 0.00 O ATOM 1005 CB TYR A 61 -8.199 -0.241 0.045 1.00 0.00 C ATOM 1006 CG TYR A 61 -8.926 -1.083 1.065 1.00 0.00 C ATOM 1007 CD1 TYR A 61 -10.237 -1.505 0.818 1.00 0.00 C ATOM 1008 CD2 TYR A 61 -8.288 -1.444 2.258 1.00 0.00 C ATOM 1009 CE1 TYR A 61 -10.912 -2.285 1.764 1.00 0.00 C ATOM 1010 CE2 TYR A 61 -8.962 -2.224 3.204 1.00 0.00 C ATOM 1011 CZ TYR A 61 -10.275 -2.646 2.956 1.00 0.00 C ATOM 1012 OH TYR A 61 -10.939 -3.415 3.888 1.00 0.00 O ATOM 0 H TYR A 61 -9.217 0.391 -2.060 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.591 1.285 0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.189 -0.747 -0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.160 -0.104 0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.728 -1.229 -0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.275 -1.120 2.448 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.925 -2.608 1.574 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.470 -2.501 4.125 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.098 -2.884 4.696 1.00 0.00 H new ATOM 1022 N ILE A 62 -7.175 2.481 -1.106 1.00 0.00 N ATOM 1023 CA ILE A 62 -6.177 3.589 -1.100 1.00 0.00 C ATOM 1024 C ILE A 62 -6.868 4.899 -0.714 1.00 0.00 C ATOM 1025 O ILE A 62 -6.388 5.645 0.115 1.00 0.00 O ATOM 1026 CB ILE A 62 -5.640 3.661 -2.530 1.00 0.00 C ATOM 1027 CG1 ILE A 62 -4.930 2.350 -2.874 1.00 0.00 C ATOM 1028 CG2 ILE A 62 -4.646 4.818 -2.643 1.00 0.00 C ATOM 1029 CD1 ILE A 62 -4.786 2.229 -4.393 1.00 0.00 C ATOM 0 H ILE A 62 -7.246 1.959 -1.980 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.373 3.422 -0.383 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.468 3.821 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.948 2.321 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.496 1.504 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.263 4.870 -3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.147 5.754 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.819 4.656 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.280 1.295 -4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.774 2.238 -4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.201 3.068 -4.771 1.00 0.00 H new ATOM 1041 N SER A 63 -8.001 5.177 -1.302 1.00 0.00 N ATOM 1042 CA SER A 63 -8.724 6.433 -0.955 1.00 0.00 C ATOM 1043 C SER A 63 -9.331 6.311 0.444 1.00 0.00 C ATOM 1044 O SER A 63 -9.395 7.268 1.190 1.00 0.00 O ATOM 1045 CB SER A 63 -9.824 6.569 -2.009 1.00 0.00 C ATOM 1046 OG SER A 63 -10.293 5.278 -2.370 1.00 0.00 O ATOM 0 H SER A 63 -8.454 4.592 -2.004 1.00 0.00 H new ATOM 0 HA SER A 63 -8.066 7.302 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.645 7.170 -1.618 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.439 7.087 -2.887 1.00 0.00 H new ATOM 0 HG SER A 63 -9.790 4.952 -3.145 1.00 0.00 H new ATOM 1052 N LEU A 64 -9.767 5.136 0.811 1.00 0.00 N ATOM 1053 CA LEU A 64 -10.359 4.953 2.166 1.00 0.00 C ATOM 1054 C LEU A 64 -9.254 5.016 3.226 1.00 0.00 C ATOM 1055 O LEU A 64 -9.453 5.513 4.315 1.00 0.00 O ATOM 1056 CB LEU A 64 -11.006 3.567 2.135 1.00 0.00 C ATOM 1057 CG LEU A 64 -12.428 3.682 1.582 1.00 0.00 C ATOM 1058 CD1 LEU A 64 -13.002 2.283 1.348 1.00 0.00 C ATOM 1059 CD2 LEU A 64 -13.304 4.431 2.588 1.00 0.00 C ATOM 0 H LEU A 64 -9.739 4.297 0.232 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.085 5.727 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.416 2.892 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.027 3.141 3.138 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.408 4.227 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -14.015 2.367 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.377 1.748 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.023 1.736 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.318 4.514 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.323 3.885 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.896 5.428 2.754 1.00 0.00 H new ATOM 1071 N LEU A 65 -8.086 4.521 2.908 1.00 0.00 N ATOM 1072 CA LEU A 65 -6.963 4.563 3.892 1.00 0.00 C ATOM 1073 C LEU A 65 -6.307 5.948 3.887 1.00 0.00 C ATOM 1074 O LEU A 65 -5.112 6.077 3.715 1.00 0.00 O ATOM 1075 CB LEU A 65 -5.958 3.500 3.421 1.00 0.00 C ATOM 1076 CG LEU A 65 -6.063 2.248 4.299 1.00 0.00 C ATOM 1077 CD1 LEU A 65 -4.990 1.236 3.882 1.00 0.00 C ATOM 1078 CD2 LEU A 65 -5.844 2.631 5.762 1.00 0.00 C ATOM 0 H LEU A 65 -7.861 4.090 2.011 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.309 4.370 4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.152 3.241 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.945 3.901 3.466 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.052 1.806 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.066 0.346 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.137 0.959 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.003 1.682 4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.919 1.741 6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.855 3.074 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.602 3.352 6.067 1.00 0.00 H new ATOM 1090 N LYS A 66 -7.080 6.987 4.076 1.00 0.00 N ATOM 1091 CA LYS A 66 -6.503 8.366 4.083 1.00 0.00 C ATOM 1092 C LYS A 66 -5.799 8.658 2.755 1.00 0.00 C ATOM 1093 O LYS A 66 -5.594 7.779 1.942 1.00 0.00 O ATOM 1094 CB LYS A 66 -5.497 8.378 5.237 1.00 0.00 C ATOM 1095 CG LYS A 66 -5.556 9.728 5.954 1.00 0.00 C ATOM 1096 CD LYS A 66 -4.650 9.688 7.186 1.00 0.00 C ATOM 1097 CE LYS A 66 -3.187 9.782 6.746 1.00 0.00 C ATOM 1098 NZ LYS A 66 -2.624 10.917 7.528 1.00 0.00 N ATOM 0 H LYS A 66 -8.088 6.940 4.226 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.272 9.128 4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.721 7.573 5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.491 8.200 4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.238 10.524 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.581 9.951 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.893 10.512 7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.815 8.765 7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.652 8.855 6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.108 9.963 5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.622 11.045 7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.149 11.787 7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.707 10.713 8.544 1.00 0.00 H new ATOM 1112 N THR A 67 -5.430 9.891 2.531 1.00 0.00 N ATOM 1113 CA THR A 67 -4.740 10.246 1.263 1.00 0.00 C ATOM 1114 C THR A 67 -3.629 11.273 1.534 1.00 0.00 C ATOM 1115 O THR A 67 -3.837 12.222 2.262 1.00 0.00 O ATOM 1116 CB THR A 67 -5.830 10.856 0.380 1.00 0.00 C ATOM 1117 OG1 THR A 67 -7.050 10.159 0.586 1.00 0.00 O ATOM 1118 CG2 THR A 67 -5.418 10.748 -1.089 1.00 0.00 C ATOM 0 H THR A 67 -5.578 10.668 3.175 1.00 0.00 H new ATOM 0 HA THR A 67 -4.267 9.384 0.792 1.00 0.00 H new ATOM 0 HB THR A 67 -5.964 11.906 0.640 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.749 10.550 0.022 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.195 11.183 -1.718 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.482 11.285 -1.245 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.283 9.699 -1.353 1.00 0.00 H new ATOM 1126 N PRO A 68 -2.479 11.052 0.942 1.00 0.00 N ATOM 1127 CA PRO A 68 -1.339 11.982 1.138 1.00 0.00 C ATOM 1128 C PRO A 68 -1.561 13.276 0.350 1.00 0.00 C ATOM 1129 O PRO A 68 -1.906 13.253 -0.815 1.00 0.00 O ATOM 1130 CB PRO A 68 -0.145 11.211 0.583 1.00 0.00 C ATOM 1131 CG PRO A 68 -0.727 10.248 -0.403 1.00 0.00 C ATOM 1132 CD PRO A 68 -2.131 9.937 0.048 1.00 0.00 C ATOM 0 HA PRO A 68 -1.205 12.277 2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.569 11.881 0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.390 10.688 1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.732 10.679 -1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.128 9.338 -0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.816 9.876 -0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.179 8.980 0.568 1.00 0.00 H new ATOM 1140 N LYS A 69 -1.365 14.405 0.975 1.00 0.00 N ATOM 1141 CA LYS A 69 -1.561 15.699 0.264 1.00 0.00 C ATOM 1142 C LYS A 69 -0.825 16.820 1.000 1.00 0.00 C ATOM 1143 O LYS A 69 -0.842 16.894 2.213 1.00 0.00 O ATOM 1144 CB LYS A 69 -3.071 15.945 0.288 1.00 0.00 C ATOM 1145 CG LYS A 69 -3.675 15.571 -1.068 1.00 0.00 C ATOM 1146 CD LYS A 69 -4.010 16.844 -1.846 1.00 0.00 C ATOM 1147 CE LYS A 69 -5.054 16.528 -2.919 1.00 0.00 C ATOM 1148 NZ LYS A 69 -4.350 15.645 -3.889 1.00 0.00 N ATOM 0 H LYS A 69 -1.077 14.486 1.950 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.170 15.673 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.533 15.354 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.275 16.992 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.973 14.960 -1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.575 14.972 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.390 17.608 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.109 17.248 -2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.923 16.030 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.413 17.437 -3.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.864 15.643 -4.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.383 15.997 -4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.311 14.677 -3.512 1.00 0.00 H new ATOM 1162 N GLN A 70 -0.176 17.693 0.280 1.00 0.00 N ATOM 1163 CA GLN A 70 0.561 18.805 0.944 1.00 0.00 C ATOM 1164 C GLN A 70 -0.373 19.994 1.183 1.00 0.00 C ATOM 1165 O GLN A 70 -0.252 20.702 2.164 1.00 0.00 O ATOM 1166 CB GLN A 70 1.673 19.185 -0.035 1.00 0.00 C ATOM 1167 CG GLN A 70 2.940 18.393 0.297 1.00 0.00 C ATOM 1168 CD GLN A 70 4.169 19.272 0.060 1.00 0.00 C ATOM 1169 OE1 GLN A 70 4.046 20.422 -0.312 1.00 0.00 O ATOM 1170 NE2 GLN A 70 5.359 18.774 0.258 1.00 0.00 N ATOM 0 H GLN A 70 -0.124 17.685 -0.739 1.00 0.00 H new ATOM 0 HA GLN A 70 0.956 18.513 1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.359 18.976 -1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.874 20.255 0.024 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.912 18.061 1.335 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.995 17.498 -0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.462 17.809 0.570 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.186 19.350 0.100 1.00 0.00 H new ATOM 1179 N LEU A 71 -1.300 20.223 0.294 1.00 0.00 N ATOM 1180 CA LEU A 71 -2.236 21.370 0.473 1.00 0.00 C ATOM 1181 C LEU A 71 -3.461 21.204 -0.432 1.00 0.00 C ATOM 1182 O LEU A 71 -4.310 22.080 -0.412 1.00 0.00 O ATOM 1183 CB LEU A 71 -1.433 22.603 0.062 1.00 0.00 C ATOM 1184 CG LEU A 71 -1.011 22.471 -1.403 1.00 0.00 C ATOM 1185 CD1 LEU A 71 -1.670 23.578 -2.227 1.00 0.00 C ATOM 1186 CD2 LEU A 71 0.510 22.597 -1.505 1.00 0.00 C ATOM 1187 OXT LEU A 71 -3.527 20.206 -1.130 1.00 0.00 O ATOM 0 H LEU A 71 -1.450 19.667 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.605 21.444 1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.032 23.503 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.553 22.706 0.697 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.324 21.500 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.369 23.483 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.754 23.491 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.357 24.550 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.814 22.503 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.821 23.569 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.981 21.808 -0.918 1.00 0.00 H new TER 1199 LEU A 71