USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 41 MET CE :methyl -164:sc= -4.51! (180deg=-5.77!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= -0.677 (180deg=-1.19) USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.047 F(o=-0.88,f=-0.047) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.83 F(o=-1.6!,f=-0.83) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.5 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 35 SER OG : rot -120:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -109:sc= 0.386 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -110:sc= -0.163 (180deg=-0.901) USER MOD Single : A 49 SER OG : rot -44:sc= 1.06 USER MOD Single : A 50 CYS SG : rot -53:sc= -0.251 USER MOD Single : A 51 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.6!) USER MOD Single : A 56 ASN : amide:sc= 0.527 K(o=0.53,f=-9.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 117:sc= 1.15 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.931 8.681 17.586 1.00 0.00 N ATOM 2 CA GLY A 1 8.826 8.163 18.372 1.00 0.00 C ATOM 3 C GLY A 1 7.764 7.503 17.516 1.00 0.00 C ATOM 4 O GLY A 1 6.738 8.110 17.211 1.00 0.00 O ATOM 0 H1 GLY A 1 10.630 9.122 18.218 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.380 7.902 17.063 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.576 9.390 16.913 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.206 7.441 19.095 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.376 8.977 18.940 1.00 0.00 H new ATOM 8 N SER A 2 8.011 6.257 17.125 1.00 0.00 N ATOM 9 CA SER A 2 7.070 5.516 16.293 1.00 0.00 C ATOM 10 C SER A 2 7.309 4.014 16.407 1.00 0.00 C ATOM 11 O SER A 2 8.452 3.557 16.440 1.00 0.00 O ATOM 12 CB SER A 2 7.193 5.954 14.832 1.00 0.00 C ATOM 13 OG SER A 2 6.463 5.091 13.977 1.00 0.00 O ATOM 0 H SER A 2 8.855 5.739 17.371 1.00 0.00 H new ATOM 0 HA SER A 2 6.062 5.734 16.647 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.826 6.975 14.723 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.243 5.960 14.538 1.00 0.00 H new ATOM 0 HG SER A 2 6.556 5.394 13.050 1.00 0.00 H new ATOM 19 N SER A 3 6.223 3.251 16.467 1.00 0.00 N ATOM 20 CA SER A 3 6.313 1.800 16.582 1.00 0.00 C ATOM 21 C SER A 3 5.048 1.133 16.051 1.00 0.00 C ATOM 22 O SER A 3 4.096 1.806 15.657 1.00 0.00 O ATOM 23 CB SER A 3 6.543 1.395 18.039 1.00 0.00 C ATOM 24 OG SER A 3 5.352 1.520 18.797 1.00 0.00 O ATOM 0 H SER A 3 5.270 3.613 16.438 1.00 0.00 H new ATOM 0 HA SER A 3 7.159 1.465 15.982 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.899 0.366 18.082 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.322 2.020 18.475 1.00 0.00 H new ATOM 0 HG SER A 3 5.525 1.254 19.724 1.00 0.00 H new ATOM 30 N GLY A 4 5.045 -0.197 16.044 1.00 0.00 N ATOM 31 CA GLY A 4 3.892 -0.934 15.560 1.00 0.00 C ATOM 32 C GLY A 4 2.968 -1.366 16.681 1.00 0.00 C ATOM 33 O GLY A 4 3.423 -1.716 17.770 1.00 0.00 O ATOM 0 H GLY A 4 5.820 -0.777 16.365 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.338 -0.314 14.855 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.231 -1.814 15.013 1.00 0.00 H new ATOM 37 N SER A 5 1.666 -1.341 16.415 1.00 0.00 N ATOM 38 CA SER A 5 0.675 -1.728 17.412 1.00 0.00 C ATOM 39 C SER A 5 -0.687 -1.959 16.763 1.00 0.00 C ATOM 40 O SER A 5 -1.015 -1.346 15.748 1.00 0.00 O ATOM 41 CB SER A 5 0.561 -0.653 18.494 1.00 0.00 C ATOM 42 OG SER A 5 -0.107 -1.150 19.640 1.00 0.00 O ATOM 0 H SER A 5 1.273 -1.057 15.518 1.00 0.00 H new ATOM 0 HA SER A 5 1.003 -2.661 17.871 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.556 -0.306 18.772 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.021 0.208 18.100 1.00 0.00 H new ATOM 0 HG SER A 5 -0.165 -0.444 20.317 1.00 0.00 H new ATOM 48 N SER A 6 -1.475 -2.850 17.357 1.00 0.00 N ATOM 49 CA SER A 6 -2.800 -3.166 16.836 1.00 0.00 C ATOM 50 C SER A 6 -3.887 -2.714 17.806 1.00 0.00 C ATOM 51 O SER A 6 -3.597 -2.205 18.888 1.00 0.00 O ATOM 52 CB SER A 6 -2.924 -4.669 16.577 1.00 0.00 C ATOM 53 OG SER A 6 -2.592 -5.415 17.736 1.00 0.00 O ATOM 0 H SER A 6 -1.219 -3.366 18.199 1.00 0.00 H new ATOM 0 HA SER A 6 -2.931 -2.630 15.896 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.942 -4.905 16.268 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.267 -4.955 15.756 1.00 0.00 H new ATOM 0 HG SER A 6 -2.681 -6.372 17.545 1.00 0.00 H new ATOM 59 N GLY A 7 -5.142 -2.903 17.408 1.00 0.00 N ATOM 60 CA GLY A 7 -6.255 -2.509 18.253 1.00 0.00 C ATOM 61 C GLY A 7 -7.214 -1.571 17.547 1.00 0.00 C ATOM 62 O GLY A 7 -7.170 -0.357 17.751 1.00 0.00 O ATOM 0 H GLY A 7 -5.408 -3.321 16.517 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.794 -3.399 18.577 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.872 -2.024 19.151 1.00 0.00 H new ATOM 66 N LYS A 8 -8.083 -2.132 16.713 1.00 0.00 N ATOM 67 CA LYS A 8 -9.057 -1.338 15.974 1.00 0.00 C ATOM 68 C LYS A 8 -10.440 -1.980 16.035 1.00 0.00 C ATOM 69 O LYS A 8 -10.611 -3.142 15.668 1.00 0.00 O ATOM 70 CB LYS A 8 -8.618 -1.183 14.517 1.00 0.00 C ATOM 71 CG LYS A 8 -9.601 -0.396 13.666 1.00 0.00 C ATOM 72 CD LYS A 8 -9.495 -0.773 12.198 1.00 0.00 C ATOM 73 CE LYS A 8 -10.666 -0.226 11.396 1.00 0.00 C ATOM 74 NZ LYS A 8 -10.634 1.260 11.312 1.00 0.00 N ATOM 0 H LYS A 8 -8.132 -3.135 16.532 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.113 -0.353 16.437 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.648 -0.687 14.489 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.483 -2.172 14.080 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.616 -0.580 14.017 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.412 0.671 13.783 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.561 -0.388 11.789 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.462 -1.858 12.101 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.646 -0.647 10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.602 -0.544 11.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.448 1.594 10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.679 1.663 12.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.753 1.563 10.850 1.00 0.00 H new ATOM 88 N ARG A 9 -11.422 -1.214 16.499 1.00 0.00 N ATOM 89 CA ARG A 9 -12.790 -1.709 16.606 1.00 0.00 C ATOM 90 C ARG A 9 -13.422 -1.863 15.226 1.00 0.00 C ATOM 91 O ARG A 9 -12.831 -1.481 14.217 1.00 0.00 O ATOM 92 CB ARG A 9 -13.632 -0.760 17.461 1.00 0.00 C ATOM 93 CG ARG A 9 -13.619 -1.102 18.942 1.00 0.00 C ATOM 94 CD ARG A 9 -13.878 0.127 19.800 1.00 0.00 C ATOM 95 NE ARG A 9 -12.734 1.034 19.817 1.00 0.00 N ATOM 96 CZ ARG A 9 -12.495 1.898 20.798 1.00 0.00 C ATOM 97 NH1 ARG A 9 -13.317 1.972 21.835 1.00 0.00 N ATOM 98 NH2 ARG A 9 -11.432 2.690 20.741 1.00 0.00 N ATOM 0 H ARG A 9 -11.296 -0.250 16.807 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.759 -2.688 17.084 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.265 0.258 17.328 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.661 -0.777 17.102 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.377 -1.858 19.149 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.655 -1.536 19.208 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.753 0.655 19.422 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.109 -0.184 20.819 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.082 1.003 19.033 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.135 1.365 21.881 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.131 2.636 22.587 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.798 2.636 19.944 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.249 3.353 21.494 1.00 0.00 H new ATOM 112 N GLN A 10 -14.625 -2.427 15.192 1.00 0.00 N ATOM 113 CA GLN A 10 -15.337 -2.633 13.936 1.00 0.00 C ATOM 114 C GLN A 10 -16.415 -1.572 13.741 1.00 0.00 C ATOM 115 O GLN A 10 -17.608 -1.859 13.840 1.00 0.00 O ATOM 116 CB GLN A 10 -15.964 -4.027 13.904 1.00 0.00 C ATOM 117 CG GLN A 10 -16.408 -4.463 12.517 1.00 0.00 C ATOM 118 CD GLN A 10 -17.478 -5.536 12.557 1.00 0.00 C ATOM 119 OE1 GLN A 10 -17.564 -6.309 13.511 1.00 0.00 O ATOM 120 NE2 GLN A 10 -18.303 -5.589 11.517 1.00 0.00 N ATOM 0 H GLN A 10 -15.127 -2.749 16.019 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.618 -2.547 13.121 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -15.244 -4.749 14.290 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -16.824 -4.045 14.574 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -16.786 -3.598 11.972 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -15.546 -4.836 11.964 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -18.196 -4.929 10.747 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -19.043 -6.290 11.489 1.00 0.00 H new ATOM 129 N LYS A 11 -15.987 -0.345 13.462 1.00 0.00 N ATOM 130 CA LYS A 11 -16.916 0.760 13.252 1.00 0.00 C ATOM 131 C LYS A 11 -16.255 1.881 12.456 1.00 0.00 C ATOM 132 O LYS A 11 -15.398 2.599 12.972 1.00 0.00 O ATOM 133 CB LYS A 11 -17.413 1.298 14.595 1.00 0.00 C ATOM 134 CG LYS A 11 -16.299 1.567 15.592 1.00 0.00 C ATOM 135 CD LYS A 11 -16.682 2.664 16.573 1.00 0.00 C ATOM 136 CE LYS A 11 -15.460 3.434 17.051 1.00 0.00 C ATOM 137 NZ LYS A 11 -14.857 2.819 18.265 1.00 0.00 N ATOM 0 H LYS A 11 -15.003 -0.091 13.376 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.766 0.385 12.682 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -17.967 2.221 14.425 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.112 0.582 15.028 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.070 0.652 16.139 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.393 1.855 15.058 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.383 3.350 16.098 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.195 2.226 17.429 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.717 3.468 16.254 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.742 4.464 17.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.363 3.550 18.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.606 2.394 18.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.180 2.082 17.981 1.00 0.00 H new ATOM 151 N ILE A 12 -16.660 2.026 11.199 1.00 0.00 N ATOM 152 CA ILE A 12 -16.110 3.061 10.334 1.00 0.00 C ATOM 153 C ILE A 12 -16.884 3.152 9.023 1.00 0.00 C ATOM 154 O ILE A 12 -17.304 2.137 8.466 1.00 0.00 O ATOM 155 CB ILE A 12 -14.624 2.803 10.022 1.00 0.00 C ATOM 156 CG1 ILE A 12 -14.063 3.920 9.140 1.00 0.00 C ATOM 157 CG2 ILE A 12 -14.451 1.451 9.347 1.00 0.00 C ATOM 158 CD1 ILE A 12 -13.642 5.149 9.916 1.00 0.00 C ATOM 0 H ILE A 12 -17.368 1.439 10.757 1.00 0.00 H new ATOM 0 HA ILE A 12 -16.202 4.004 10.873 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.069 2.793 10.960 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.205 3.538 8.586 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -14.816 4.205 8.405 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -13.395 1.284 9.133 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -14.816 0.665 10.008 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -15.017 1.434 8.416 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.254 5.899 9.227 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.502 5.555 10.449 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.866 4.879 10.632 1.00 0.00 H new ATOM 170 N HIS A 13 -17.068 4.374 8.534 1.00 0.00 N ATOM 171 CA HIS A 13 -17.789 4.598 7.287 1.00 0.00 C ATOM 172 C HIS A 13 -16.885 4.349 6.083 1.00 0.00 C ATOM 173 O HIS A 13 -15.683 4.123 6.233 1.00 0.00 O ATOM 174 CB HIS A 13 -18.339 6.024 7.239 1.00 0.00 C ATOM 175 CG HIS A 13 -17.274 7.074 7.155 1.00 0.00 C ATOM 176 ND1 HIS A 13 -15.961 7.031 7.479 1.00 0.00 N flip ATOM 177 CD2 HIS A 13 -17.511 8.351 6.691 1.00 0.00 C flip ATOM 178 CE1 HIS A 13 -15.434 8.270 7.207 1.00 0.00 C flip ATOM 179 NE2 HIS A 13 -16.390 9.047 6.732 1.00 0.00 N flip ATOM 0 H HIS A 13 -16.728 5.224 8.983 1.00 0.00 H new ATOM 0 HA HIS A 13 -18.620 3.894 7.247 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -19.001 6.120 6.379 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -18.944 6.202 8.128 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -18.465 8.723 6.348 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.405 8.561 7.357 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.281 10.020 6.445 1.00 0.00 H new ATOM 187 N LEU A 14 -17.470 4.391 4.891 1.00 0.00 N ATOM 188 CA LEU A 14 -16.717 4.169 3.662 1.00 0.00 C ATOM 189 C LEU A 14 -17.573 4.471 2.436 1.00 0.00 C ATOM 190 O LEU A 14 -18.787 4.268 2.449 1.00 0.00 O ATOM 191 CB LEU A 14 -16.213 2.726 3.602 1.00 0.00 C ATOM 192 CG LEU A 14 -15.440 2.336 2.342 1.00 0.00 C ATOM 193 CD1 LEU A 14 -14.142 3.122 2.247 1.00 0.00 C ATOM 194 CD2 LEU A 14 -15.163 0.840 2.328 1.00 0.00 C ATOM 0 H LEU A 14 -18.463 4.577 4.750 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.863 4.846 3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.572 2.550 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.070 2.059 3.699 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.052 2.580 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.606 2.831 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.364 4.188 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.524 2.911 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.612 0.580 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.571 0.571 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.107 0.295 2.347 1.00 0.00 H new ATOM 206 N GLY A 15 -16.932 4.957 1.377 1.00 0.00 N ATOM 207 CA GLY A 15 -17.651 5.277 0.158 1.00 0.00 C ATOM 208 C GLY A 15 -17.324 4.325 -0.975 1.00 0.00 C ATOM 209 O GLY A 15 -16.887 3.198 -0.741 1.00 0.00 O ATOM 0 H GLY A 15 -15.928 5.135 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.723 5.249 0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -17.409 6.295 -0.146 1.00 0.00 H new ATOM 213 N ASP A 16 -17.538 4.777 -2.206 1.00 0.00 N ATOM 214 CA ASP A 16 -17.264 3.956 -3.380 1.00 0.00 C ATOM 215 C ASP A 16 -16.136 4.558 -4.212 1.00 0.00 C ATOM 216 O ASP A 16 -16.238 4.656 -5.435 1.00 0.00 O ATOM 217 CB ASP A 16 -18.525 3.813 -4.234 1.00 0.00 C ATOM 218 CG ASP A 16 -19.404 2.664 -3.781 1.00 0.00 C ATOM 219 OD1 ASP A 16 -18.935 1.508 -3.819 1.00 0.00 O ATOM 220 OD2 ASP A 16 -20.562 2.922 -3.389 1.00 0.00 O ATOM 0 H ASP A 16 -17.900 5.707 -2.417 1.00 0.00 H new ATOM 0 HA ASP A 16 -16.952 2.969 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.095 4.741 -4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.240 3.660 -5.275 1.00 0.00 H new ATOM 225 N ARG A 17 -15.062 4.960 -3.540 1.00 0.00 N ATOM 226 CA ARG A 17 -13.916 5.554 -4.218 1.00 0.00 C ATOM 227 C ARG A 17 -12.663 4.708 -4.010 1.00 0.00 C ATOM 228 O ARG A 17 -11.931 4.892 -3.037 1.00 0.00 O ATOM 229 CB ARG A 17 -13.675 6.976 -3.706 1.00 0.00 C ATOM 230 CG ARG A 17 -12.602 7.727 -4.478 1.00 0.00 C ATOM 231 CD ARG A 17 -13.201 8.539 -5.616 1.00 0.00 C ATOM 232 NE ARG A 17 -13.363 7.744 -6.830 1.00 0.00 N ATOM 233 CZ ARG A 17 -14.471 7.074 -7.127 1.00 0.00 C ATOM 234 NH1 ARG A 17 -15.509 7.103 -6.303 1.00 0.00 N ATOM 235 NH2 ARG A 17 -14.542 6.372 -8.251 1.00 0.00 N ATOM 0 H ARG A 17 -14.962 4.885 -2.528 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.136 5.591 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.609 7.536 -3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.390 6.931 -2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.062 8.389 -3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.876 7.019 -4.877 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.170 8.933 -5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.560 9.395 -5.826 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.583 7.701 -7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.458 7.641 -5.438 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.358 6.587 -6.534 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.745 6.347 -8.888 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.393 5.858 -8.478 1.00 0.00 H new ATOM 249 N SER A 18 -12.422 3.780 -4.931 1.00 0.00 N ATOM 250 CA SER A 18 -11.261 2.903 -4.847 1.00 0.00 C ATOM 251 C SER A 18 -10.613 2.726 -6.217 1.00 0.00 C ATOM 252 O SER A 18 -11.202 2.137 -7.122 1.00 0.00 O ATOM 253 CB SER A 18 -11.665 1.539 -4.282 1.00 0.00 C ATOM 254 OG SER A 18 -12.316 1.678 -3.031 1.00 0.00 O ATOM 0 H SER A 18 -13.016 3.617 -5.744 1.00 0.00 H new ATOM 0 HA SER A 18 -10.535 3.366 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.326 1.032 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.780 0.913 -4.168 1.00 0.00 H new ATOM 0 HG SER A 18 -12.565 0.793 -2.692 1.00 0.00 H new ATOM 260 N GLN A 19 -9.396 3.242 -6.360 1.00 0.00 N ATOM 261 CA GLN A 19 -8.668 3.143 -7.619 1.00 0.00 C ATOM 262 C GLN A 19 -7.831 1.869 -7.665 1.00 0.00 C ATOM 263 O GLN A 19 -7.684 1.173 -6.659 1.00 0.00 O ATOM 264 CB GLN A 19 -7.769 4.365 -7.810 1.00 0.00 C ATOM 265 CG GLN A 19 -7.135 4.445 -9.190 1.00 0.00 C ATOM 266 CD GLN A 19 -6.713 5.853 -9.558 1.00 0.00 C ATOM 267 OE1 GLN A 19 -5.628 6.323 -8.954 1.00 0.00 O flip ATOM 268 NE2 GLN A 19 -7.355 6.512 -10.376 1.00 0.00 N flip ATOM 0 H GLN A 19 -8.894 3.732 -5.620 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.397 3.107 -8.429 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.355 5.267 -7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.981 4.347 -7.058 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.266 3.789 -9.225 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.843 4.076 -9.933 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.183 6.111 -10.816 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.059 7.459 -10.613 1.00 0.00 H new ATOM 277 N LYS A 20 -7.284 1.567 -8.838 1.00 0.00 N ATOM 278 CA LYS A 20 -6.461 0.378 -9.015 1.00 0.00 C ATOM 279 C LYS A 20 -5.045 0.754 -9.439 1.00 0.00 C ATOM 280 O LYS A 20 -4.817 1.177 -10.573 1.00 0.00 O ATOM 281 CB LYS A 20 -7.087 -0.550 -10.059 1.00 0.00 C ATOM 282 CG LYS A 20 -6.461 -1.933 -10.098 1.00 0.00 C ATOM 283 CD LYS A 20 -7.031 -2.772 -11.229 1.00 0.00 C ATOM 284 CE LYS A 20 -6.708 -4.247 -11.047 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.730 -4.984 -12.341 1.00 0.00 N ATOM 0 H LYS A 20 -7.397 2.131 -9.681 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.409 -0.142 -8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.153 -0.649 -9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.994 -0.091 -11.043 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.382 -1.841 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.633 -2.438 -9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.112 -2.638 -11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.627 -2.425 -12.180 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.725 -4.349 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.428 -4.695 -10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.505 -5.986 -12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.675 -4.908 -12.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.025 -4.574 -12.986 1.00 0.00 H new ATOM 299 N CYS A 21 -4.096 0.597 -8.522 1.00 0.00 N ATOM 300 CA CYS A 21 -2.702 0.920 -8.800 1.00 0.00 C ATOM 301 C CYS A 21 -2.226 0.225 -10.073 1.00 0.00 C ATOM 302 O CYS A 21 -2.849 -0.727 -10.543 1.00 0.00 O ATOM 303 CB CYS A 21 -1.817 0.510 -7.621 1.00 0.00 C ATOM 304 SG CYS A 21 -0.047 0.868 -7.861 1.00 0.00 S ATOM 0 H CYS A 21 -4.268 0.248 -7.579 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.627 1.998 -8.945 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.163 1.025 -6.725 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.940 -0.558 -7.442 1.00 0.00 H new ATOM 309 N SER A 22 -1.118 0.709 -10.626 1.00 0.00 N ATOM 310 CA SER A 22 -0.561 0.137 -11.846 1.00 0.00 C ATOM 311 C SER A 22 0.755 -0.579 -11.558 1.00 0.00 C ATOM 312 O SER A 22 1.074 -1.592 -12.181 1.00 0.00 O ATOM 313 CB SER A 22 -0.341 1.231 -12.893 1.00 0.00 C ATOM 314 OG SER A 22 0.389 0.736 -14.002 1.00 0.00 O ATOM 0 H SER A 22 -0.589 1.495 -10.249 1.00 0.00 H new ATOM 0 HA SER A 22 -1.273 -0.591 -12.235 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.304 1.615 -13.230 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.196 2.066 -12.444 1.00 0.00 H new ATOM 0 HG SER A 22 0.515 1.454 -14.657 1.00 0.00 H new ATOM 320 N LYS A 23 1.517 -0.044 -10.610 1.00 0.00 N ATOM 321 CA LYS A 23 2.799 -0.631 -10.237 1.00 0.00 C ATOM 322 C LYS A 23 2.617 -2.057 -9.729 1.00 0.00 C ATOM 323 O LYS A 23 3.184 -3.001 -10.281 1.00 0.00 O ATOM 324 CB LYS A 23 3.480 0.222 -9.163 1.00 0.00 C ATOM 325 CG LYS A 23 4.757 -0.393 -8.618 1.00 0.00 C ATOM 326 CD LYS A 23 5.975 0.060 -9.406 1.00 0.00 C ATOM 327 CE LYS A 23 7.267 -0.413 -8.757 1.00 0.00 C ATOM 328 NZ LYS A 23 7.716 0.511 -7.680 1.00 0.00 N ATOM 0 H LYS A 23 1.269 0.795 -10.086 1.00 0.00 H new ATOM 0 HA LYS A 23 3.430 -0.659 -11.125 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.708 1.203 -9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.783 0.380 -8.340 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.877 -0.116 -7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.683 -1.480 -8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.915 -0.326 -10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.979 1.148 -9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.121 -1.411 -8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.046 -0.493 -9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.599 0.154 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.879 1.457 -8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.983 0.568 -6.944 1.00 0.00 H new ATOM 342 N CYS A 24 1.823 -2.208 -8.675 1.00 0.00 N ATOM 343 CA CYS A 24 1.565 -3.520 -8.092 1.00 0.00 C ATOM 344 C CYS A 24 0.212 -4.060 -8.546 1.00 0.00 C ATOM 345 O CYS A 24 0.096 -5.218 -8.944 1.00 0.00 O ATOM 346 CB CYS A 24 1.608 -3.440 -6.565 1.00 0.00 C ATOM 347 SG CYS A 24 0.194 -2.560 -5.826 1.00 0.00 S ATOM 0 H CYS A 24 1.346 -1.438 -8.206 1.00 0.00 H new ATOM 0 HA CYS A 24 2.343 -4.202 -8.435 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.645 -4.451 -6.160 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.530 -2.942 -6.264 1.00 0.00 H new ATOM 352 N GLY A 25 -0.810 -3.211 -8.483 1.00 0.00 N ATOM 353 CA GLY A 25 -2.141 -3.621 -8.891 1.00 0.00 C ATOM 354 C GLY A 25 -3.044 -3.915 -7.709 1.00 0.00 C ATOM 355 O GLY A 25 -3.737 -4.933 -7.687 1.00 0.00 O ATOM 0 H GLY A 25 -0.740 -2.247 -8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.589 -2.836 -9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.068 -4.509 -9.519 1.00 0.00 H new ATOM 359 N ILE A 26 -3.036 -3.022 -6.725 1.00 0.00 N ATOM 360 CA ILE A 26 -3.861 -3.192 -5.535 1.00 0.00 C ATOM 361 C ILE A 26 -4.975 -2.152 -5.485 1.00 0.00 C ATOM 362 O ILE A 26 -4.886 -1.101 -6.122 1.00 0.00 O ATOM 363 CB ILE A 26 -3.021 -3.089 -4.248 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.808 -3.633 -3.054 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.603 -1.647 -4.002 1.00 0.00 C ATOM 366 CD1 ILE A 26 -3.031 -3.608 -1.756 1.00 0.00 C ATOM 0 H ILE A 26 -2.468 -2.175 -6.728 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.299 -4.188 -5.595 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.121 -3.691 -4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.720 -3.048 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.112 -4.658 -3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.010 -1.591 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.008 -1.292 -4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.491 -1.024 -3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.651 -4.008 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.132 -4.216 -1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.750 -2.582 -1.520 1.00 0.00 H new ATOM 378 N ILE A 27 -6.022 -2.450 -4.724 1.00 0.00 N ATOM 379 CA ILE A 27 -7.152 -1.540 -4.589 1.00 0.00 C ATOM 380 C ILE A 27 -6.967 -0.607 -3.397 1.00 0.00 C ATOM 381 O ILE A 27 -6.818 -1.056 -2.261 1.00 0.00 O ATOM 382 CB ILE A 27 -8.477 -2.307 -4.425 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.742 -3.180 -5.654 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.628 -1.337 -4.201 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.921 -2.389 -6.930 1.00 0.00 C ATOM 0 H ILE A 27 -6.111 -3.315 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.194 -0.951 -5.506 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.398 -2.954 -3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.913 -3.876 -5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.636 -3.778 -5.479 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.557 -1.895 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.442 -0.754 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.710 -0.666 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.105 -3.072 -7.759 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.769 -1.712 -6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.018 -1.811 -7.130 1.00 0.00 H new ATOM 397 N PHE A 28 -6.981 0.695 -3.664 1.00 0.00 N ATOM 398 CA PHE A 28 -6.815 1.692 -2.613 1.00 0.00 C ATOM 399 C PHE A 28 -7.682 2.918 -2.886 1.00 0.00 C ATOM 400 O PHE A 28 -7.912 3.285 -4.038 1.00 0.00 O ATOM 401 CB PHE A 28 -5.347 2.107 -2.500 1.00 0.00 C ATOM 402 CG PHE A 28 -4.861 2.918 -3.668 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.323 2.298 -4.783 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.943 4.301 -3.649 1.00 0.00 C ATOM 405 CE1 PHE A 28 -3.876 3.041 -5.859 1.00 0.00 C ATOM 406 CE2 PHE A 28 -4.498 5.050 -4.722 1.00 0.00 C ATOM 407 CZ PHE A 28 -3.963 4.419 -5.828 1.00 0.00 C ATOM 0 H PHE A 28 -7.106 1.084 -4.599 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.132 1.246 -1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.210 2.684 -1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.731 1.213 -2.408 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.252 1.221 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.359 4.799 -2.786 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.459 2.545 -6.723 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.569 6.127 -4.696 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.613 5.002 -6.667 1.00 0.00 H new ATOM 417 N ILE A 29 -8.159 3.548 -1.817 1.00 0.00 N ATOM 418 CA ILE A 29 -8.999 4.732 -1.940 1.00 0.00 C ATOM 419 C ILE A 29 -8.165 5.967 -2.263 1.00 0.00 C ATOM 420 O ILE A 29 -7.108 6.186 -1.672 1.00 0.00 O ATOM 421 CB ILE A 29 -9.800 4.991 -0.651 1.00 0.00 C ATOM 422 CG1 ILE A 29 -10.797 3.856 -0.407 1.00 0.00 C ATOM 423 CG2 ILE A 29 -10.522 6.328 -0.734 1.00 0.00 C ATOM 424 CD1 ILE A 29 -10.146 2.565 0.039 1.00 0.00 C ATOM 0 H ILE A 29 -7.978 3.258 -0.856 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.694 4.541 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.106 5.027 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.516 4.171 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.358 3.673 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.084 6.496 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.793 7.128 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.207 6.319 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.912 1.805 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.448 2.226 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.608 2.732 0.972 1.00 0.00 H new ATOM 436 N ARG A 30 -8.648 6.771 -3.205 1.00 0.00 N ATOM 437 CA ARG A 30 -7.947 7.985 -3.606 1.00 0.00 C ATOM 438 C ARG A 30 -8.934 9.113 -3.891 1.00 0.00 C ATOM 439 O ARG A 30 -10.031 8.878 -4.398 1.00 0.00 O ATOM 440 CB ARG A 30 -7.090 7.718 -4.845 1.00 0.00 C ATOM 441 CG ARG A 30 -7.898 7.345 -6.077 1.00 0.00 C ATOM 442 CD ARG A 30 -8.280 8.576 -6.885 1.00 0.00 C ATOM 443 NE ARG A 30 -8.831 8.223 -8.191 1.00 0.00 N ATOM 444 CZ ARG A 30 -8.907 9.072 -9.210 1.00 0.00 C ATOM 445 NH1 ARG A 30 -8.468 10.316 -9.075 1.00 0.00 N ATOM 446 NH2 ARG A 30 -9.422 8.677 -10.367 1.00 0.00 N ATOM 0 H ARG A 30 -9.521 6.604 -3.704 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.300 8.290 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.498 8.606 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.388 6.914 -4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.319 6.664 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.800 6.812 -5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.012 9.162 -6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.402 9.208 -7.020 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.176 7.273 -8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.071 10.623 -8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.528 10.966 -9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.760 7.721 -10.475 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.480 9.330 -11.149 1.00 0.00 H new ATOM 460 N ARG A 31 -8.536 10.338 -3.562 1.00 0.00 N ATOM 461 CA ARG A 31 -9.385 11.502 -3.781 1.00 0.00 C ATOM 462 C ARG A 31 -9.520 11.804 -5.271 1.00 0.00 C ATOM 463 O ARG A 31 -8.713 11.351 -6.082 1.00 0.00 O ATOM 464 CB ARG A 31 -8.815 12.720 -3.053 1.00 0.00 C ATOM 465 CG ARG A 31 -9.203 12.789 -1.585 1.00 0.00 C ATOM 466 CD ARG A 31 -8.264 11.962 -0.721 1.00 0.00 C ATOM 467 NE ARG A 31 -6.890 12.454 -0.780 1.00 0.00 N ATOM 468 CZ ARG A 31 -6.429 13.439 -0.017 1.00 0.00 C ATOM 469 NH1 ARG A 31 -7.227 14.034 0.858 1.00 0.00 N ATOM 470 NH2 ARG A 31 -5.166 13.831 -0.129 1.00 0.00 N ATOM 0 H ARG A 31 -7.631 10.549 -3.143 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.374 11.279 -3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.728 12.704 -3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.158 13.625 -3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.187 13.827 -1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.225 12.430 -1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.611 11.980 0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.291 10.923 -1.048 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.250 12.018 -1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.198 13.736 0.947 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.870 14.790 1.442 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.548 13.376 -0.801 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.813 14.587 0.457 1.00 0.00 H new ATOM 484 N SER A 32 -10.547 12.571 -5.623 1.00 0.00 N ATOM 485 CA SER A 32 -10.791 12.930 -7.015 1.00 0.00 C ATOM 486 C SER A 32 -10.569 14.423 -7.238 1.00 0.00 C ATOM 487 O SER A 32 -10.872 14.955 -8.306 1.00 0.00 O ATOM 488 CB SER A 32 -12.216 12.549 -7.420 1.00 0.00 C ATOM 489 OG SER A 32 -12.404 11.145 -7.363 1.00 0.00 O ATOM 0 H SER A 32 -11.223 12.956 -4.963 1.00 0.00 H new ATOM 0 HA SER A 32 -10.085 12.378 -7.636 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.929 13.042 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.418 12.906 -8.430 1.00 0.00 H new ATOM 0 HG SER A 32 -13.323 10.927 -7.625 1.00 0.00 H new ATOM 495 N THR A 33 -10.037 15.094 -6.221 1.00 0.00 N ATOM 496 CA THR A 33 -9.775 16.525 -6.304 1.00 0.00 C ATOM 497 C THR A 33 -8.290 16.801 -6.512 1.00 0.00 C ATOM 498 O THR A 33 -7.875 17.248 -7.582 1.00 0.00 O ATOM 499 CB THR A 33 -10.249 17.257 -5.034 1.00 0.00 C ATOM 500 OG1 THR A 33 -9.796 16.559 -3.869 1.00 0.00 O ATOM 501 CG2 THR A 33 -11.765 17.369 -5.008 1.00 0.00 C ATOM 0 H THR A 33 -9.779 14.669 -5.330 1.00 0.00 H new ATOM 0 HA THR A 33 -10.335 16.900 -7.161 1.00 0.00 H new ATOM 0 HB THR A 33 -9.827 18.262 -5.041 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.100 17.031 -3.066 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.076 17.889 -4.102 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.104 17.927 -5.881 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.204 16.371 -5.022 1.00 0.00 H new ATOM 509 N LEU A 34 -7.494 16.531 -5.484 1.00 0.00 N ATOM 510 CA LEU A 34 -6.053 16.750 -5.554 1.00 0.00 C ATOM 511 C LEU A 34 -5.291 15.521 -5.068 1.00 0.00 C ATOM 512 O LEU A 34 -4.591 15.572 -4.057 1.00 0.00 O ATOM 513 CB LEU A 34 -5.661 17.970 -4.719 1.00 0.00 C ATOM 514 CG LEU A 34 -6.112 19.327 -5.261 1.00 0.00 C ATOM 515 CD1 LEU A 34 -6.281 20.325 -4.126 1.00 0.00 C ATOM 516 CD2 LEU A 34 -5.119 19.849 -6.288 1.00 0.00 C ATOM 0 H LEU A 34 -7.821 16.160 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.788 16.930 -6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.072 17.847 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.576 17.984 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.077 19.198 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.602 21.285 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.031 19.957 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.331 20.450 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.457 20.815 -6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.140 19.962 -5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.048 19.144 -7.116 1.00 0.00 H new ATOM 528 N SER A 35 -5.431 14.418 -5.797 1.00 0.00 N ATOM 529 CA SER A 35 -4.757 13.175 -5.439 1.00 0.00 C ATOM 530 C SER A 35 -3.556 12.928 -6.346 1.00 0.00 C ATOM 531 O SER A 35 -2.411 12.932 -5.893 1.00 0.00 O ATOM 532 CB SER A 35 -5.731 11.998 -5.531 1.00 0.00 C ATOM 533 OG SER A 35 -5.094 10.782 -5.179 1.00 0.00 O ATOM 0 H SER A 35 -6.005 14.360 -6.638 1.00 0.00 H new ATOM 0 HA SER A 35 -4.402 13.265 -4.412 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.580 12.172 -4.870 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.125 11.926 -6.545 1.00 0.00 H new ATOM 0 HG SER A 35 -5.135 10.160 -5.935 1.00 0.00 H new ATOM 539 N ARG A 36 -3.826 12.713 -7.629 1.00 0.00 N ATOM 540 CA ARG A 36 -2.768 12.462 -8.601 1.00 0.00 C ATOM 541 C ARG A 36 -3.333 12.402 -10.017 1.00 0.00 C ATOM 542 O ARG A 36 -4.456 11.945 -10.228 1.00 0.00 O ATOM 543 CB ARG A 36 -2.044 11.155 -8.273 1.00 0.00 C ATOM 544 CG ARG A 36 -0.653 11.060 -8.879 1.00 0.00 C ATOM 545 CD ARG A 36 0.028 9.753 -8.507 1.00 0.00 C ATOM 546 NE ARG A 36 0.768 9.859 -7.252 1.00 0.00 N ATOM 547 CZ ARG A 36 1.993 10.365 -7.162 1.00 0.00 C ATOM 548 NH1 ARG A 36 2.612 10.809 -8.247 1.00 0.00 N ATOM 549 NH2 ARG A 36 2.601 10.427 -5.984 1.00 0.00 N ATOM 0 H ARG A 36 -4.768 12.707 -8.020 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.057 13.286 -8.547 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.967 11.054 -7.190 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.644 10.318 -8.629 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.721 11.140 -9.964 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.047 11.898 -8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.721 8.966 -8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.709 9.459 -9.306 1.00 0.00 H new ATOM 0 HE ARG A 36 0.320 9.526 -6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.148 10.763 -9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.553 11.197 -8.175 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.128 10.086 -5.147 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.542 10.816 -5.915 1.00 0.00 H new ATOM 563 N ARG A 37 -2.547 12.867 -10.982 1.00 0.00 N ATOM 564 CA ARG A 37 -2.970 12.868 -12.378 1.00 0.00 C ATOM 565 C ARG A 37 -2.196 11.827 -13.181 1.00 0.00 C ATOM 566 O ARG A 37 -2.760 11.135 -14.029 1.00 0.00 O ATOM 567 CB ARG A 37 -2.770 14.254 -12.993 1.00 0.00 C ATOM 568 CG ARG A 37 -1.317 14.698 -13.033 1.00 0.00 C ATOM 569 CD ARG A 37 -1.165 16.044 -13.725 1.00 0.00 C ATOM 570 NE ARG A 37 0.175 16.229 -14.275 1.00 0.00 N ATOM 571 CZ ARG A 37 0.564 17.329 -14.910 1.00 0.00 C ATOM 572 NH1 ARG A 37 -0.281 18.337 -15.073 1.00 0.00 N ATOM 573 NH2 ARG A 37 1.800 17.421 -15.383 1.00 0.00 N ATOM 0 H ARG A 37 -1.614 13.248 -10.823 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.029 12.613 -12.411 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.169 14.253 -14.007 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.348 14.982 -12.424 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.927 14.764 -12.017 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.721 13.950 -13.555 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.900 16.125 -14.526 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.379 16.843 -13.015 1.00 0.00 H new ATOM 0 HE ARG A 37 0.850 15.472 -14.166 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.232 18.269 -14.711 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.020 19.181 -15.561 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.452 16.647 -15.259 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.098 18.266 -15.870 1.00 0.00 H new ATOM 587 N LYS A 38 -0.900 11.721 -12.908 1.00 0.00 N ATOM 588 CA LYS A 38 -0.047 10.764 -13.604 1.00 0.00 C ATOM 589 C LYS A 38 -0.332 9.341 -13.136 1.00 0.00 C ATOM 590 O LYS A 38 -1.173 9.119 -12.264 1.00 0.00 O ATOM 591 CB LYS A 38 1.427 11.103 -13.374 1.00 0.00 C ATOM 592 CG LYS A 38 1.973 12.134 -14.346 1.00 0.00 C ATOM 593 CD LYS A 38 3.484 12.260 -14.236 1.00 0.00 C ATOM 594 CE LYS A 38 3.969 13.610 -14.741 1.00 0.00 C ATOM 595 NZ LYS A 38 4.088 13.637 -16.225 1.00 0.00 N ATOM 0 H LYS A 38 -0.417 12.286 -12.210 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.266 10.827 -14.670 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.551 11.474 -12.357 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.018 10.191 -13.455 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.704 11.854 -15.364 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.511 13.101 -14.149 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.786 12.129 -13.197 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.959 11.464 -14.809 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.278 14.388 -14.418 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.937 13.838 -14.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.421 14.574 -16.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.767 12.911 -16.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.159 13.445 -16.651 1.00 0.00 H new ATOM 609 N THR A 39 0.376 8.378 -13.719 1.00 0.00 N ATOM 610 CA THR A 39 0.200 6.976 -13.361 1.00 0.00 C ATOM 611 C THR A 39 -0.125 6.823 -11.879 1.00 0.00 C ATOM 612 O THR A 39 0.578 7.337 -11.009 1.00 0.00 O ATOM 613 CB THR A 39 1.459 6.151 -13.687 1.00 0.00 C ATOM 614 OG1 THR A 39 1.699 6.161 -15.098 1.00 0.00 O ATOM 615 CG2 THR A 39 1.305 4.716 -13.204 1.00 0.00 C ATOM 0 H THR A 39 1.077 8.544 -14.441 1.00 0.00 H new ATOM 0 HA THR A 39 -0.635 6.601 -13.953 1.00 0.00 H new ATOM 0 HB THR A 39 2.307 6.603 -13.171 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.502 5.636 -15.297 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.206 4.152 -13.445 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.151 4.710 -12.125 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.447 4.257 -13.696 1.00 0.00 H new ATOM 623 N PRO A 40 -1.215 6.100 -11.583 1.00 0.00 N ATOM 624 CA PRO A 40 -1.656 5.862 -10.205 1.00 0.00 C ATOM 625 C PRO A 40 -0.714 4.934 -9.447 1.00 0.00 C ATOM 626 O PRO A 40 -0.202 3.963 -10.004 1.00 0.00 O ATOM 627 CB PRO A 40 -3.028 5.205 -10.381 1.00 0.00 C ATOM 628 CG PRO A 40 -2.974 4.570 -11.728 1.00 0.00 C ATOM 629 CD PRO A 40 -2.100 5.458 -12.570 1.00 0.00 C ATOM 0 HA PRO A 40 -1.680 6.781 -9.620 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.216 4.466 -9.602 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.830 5.941 -10.322 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.563 3.562 -11.668 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.972 4.483 -12.159 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.534 4.885 -13.305 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.686 6.193 -13.122 1.00 0.00 H new ATOM 637 N MET A 41 -0.489 5.238 -8.173 1.00 0.00 N ATOM 638 CA MET A 41 0.391 4.429 -7.338 1.00 0.00 C ATOM 639 C MET A 41 -0.112 4.389 -5.898 1.00 0.00 C ATOM 640 O MET A 41 -0.379 5.428 -5.293 1.00 0.00 O ATOM 641 CB MET A 41 1.817 4.982 -7.377 1.00 0.00 C ATOM 642 CG MET A 41 2.612 4.527 -8.589 1.00 0.00 C ATOM 643 SD MET A 41 4.382 4.822 -8.410 1.00 0.00 S ATOM 644 CE MET A 41 5.022 3.158 -8.588 1.00 0.00 C ATOM 0 H MET A 41 -0.904 6.039 -7.696 1.00 0.00 H new ATOM 0 HA MET A 41 0.392 3.413 -7.733 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.776 6.071 -7.368 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.342 4.675 -6.472 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.440 3.463 -8.753 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.248 5.049 -9.474 1.00 0.00 H new ATOM 0 HE1 MET A 41 6.049 3.123 -8.226 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.409 2.468 -8.008 1.00 0.00 H new ATOM 0 HE3 MET A 41 4.998 2.869 -9.639 1.00 0.00 H new ATOM 654 N CYS A 42 -0.240 3.183 -5.355 1.00 0.00 N ATOM 655 CA CYS A 42 -0.711 3.006 -3.986 1.00 0.00 C ATOM 656 C CYS A 42 0.293 3.573 -2.988 1.00 0.00 C ATOM 657 O CYS A 42 1.481 3.689 -3.286 1.00 0.00 O ATOM 658 CB CYS A 42 -0.955 1.524 -3.696 1.00 0.00 C ATOM 659 SG CYS A 42 0.518 0.473 -3.911 1.00 0.00 S ATOM 0 H CYS A 42 -0.024 2.313 -5.842 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.650 3.549 -3.878 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.317 1.419 -2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.746 1.162 -4.352 1.00 0.00 H new ATOM 664 N GLU A 43 -0.194 3.924 -1.801 1.00 0.00 N ATOM 665 CA GLU A 43 0.661 4.479 -0.759 1.00 0.00 C ATOM 666 C GLU A 43 1.934 3.653 -0.602 1.00 0.00 C ATOM 667 O GLU A 43 3.035 4.197 -0.512 1.00 0.00 O ATOM 668 CB GLU A 43 -0.091 4.536 0.572 1.00 0.00 C ATOM 669 CG GLU A 43 -0.436 3.167 1.135 1.00 0.00 C ATOM 670 CD GLU A 43 -1.618 3.208 2.084 1.00 0.00 C ATOM 671 OE1 GLU A 43 -2.552 3.999 1.834 1.00 0.00 O ATOM 672 OE2 GLU A 43 -1.609 2.450 3.077 1.00 0.00 O ATOM 0 H GLU A 43 -1.175 3.834 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 43 0.940 5.491 -1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.515 5.077 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.010 5.106 0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.658 2.486 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.431 2.764 1.658 1.00 0.00 H new ATOM 679 N LYS A 44 1.776 2.334 -0.569 1.00 0.00 N ATOM 680 CA LYS A 44 2.911 1.430 -0.424 1.00 0.00 C ATOM 681 C LYS A 44 3.942 1.670 -1.521 1.00 0.00 C ATOM 682 O LYS A 44 5.133 1.820 -1.246 1.00 0.00 O ATOM 683 CB LYS A 44 2.438 -0.025 -0.464 1.00 0.00 C ATOM 684 CG LYS A 44 3.543 -1.015 -0.789 1.00 0.00 C ATOM 685 CD LYS A 44 3.548 -1.380 -2.264 1.00 0.00 C ATOM 686 CE LYS A 44 4.645 -2.383 -2.586 1.00 0.00 C ATOM 687 NZ LYS A 44 4.867 -2.510 -4.053 1.00 0.00 N ATOM 0 H LYS A 44 0.872 1.867 -0.641 1.00 0.00 H new ATOM 0 HA LYS A 44 3.380 1.628 0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.003 -0.283 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.646 -0.121 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.508 -0.588 -0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.413 -1.917 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.580 -1.797 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.689 -0.480 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.572 -2.074 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.380 -3.356 -2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.517 -3.434 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.356 -1.752 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.884 -2.433 -4.258 1.00 0.00 H new ATOM 701 N CYS A 45 3.478 1.708 -2.766 1.00 0.00 N ATOM 702 CA CYS A 45 4.359 1.932 -3.905 1.00 0.00 C ATOM 703 C CYS A 45 5.022 3.304 -3.819 1.00 0.00 C ATOM 704 O CYS A 45 6.225 3.438 -4.042 1.00 0.00 O ATOM 705 CB CYS A 45 3.576 1.813 -5.214 1.00 0.00 C ATOM 706 SG CYS A 45 3.158 0.102 -5.678 1.00 0.00 S ATOM 0 H CYS A 45 2.495 1.586 -3.011 1.00 0.00 H new ATOM 0 HA CYS A 45 5.138 1.170 -3.885 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.655 2.390 -5.128 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.160 2.263 -6.017 1.00 0.00 H new ATOM 711 N ARG A 46 4.228 4.319 -3.494 1.00 0.00 N ATOM 712 CA ARG A 46 4.737 5.680 -3.379 1.00 0.00 C ATOM 713 C ARG A 46 6.044 5.707 -2.592 1.00 0.00 C ATOM 714 O ARG A 46 7.064 6.196 -3.078 1.00 0.00 O ATOM 715 CB ARG A 46 3.702 6.579 -2.700 1.00 0.00 C ATOM 716 CG ARG A 46 2.493 6.880 -3.570 1.00 0.00 C ATOM 717 CD ARG A 46 1.627 7.973 -2.962 1.00 0.00 C ATOM 718 NE ARG A 46 1.328 7.715 -1.556 1.00 0.00 N ATOM 719 CZ ARG A 46 0.299 8.256 -0.912 1.00 0.00 C ATOM 720 NH1 ARG A 46 -0.524 9.080 -1.545 1.00 0.00 N ATOM 721 NH2 ARG A 46 0.092 7.972 0.367 1.00 0.00 N ATOM 0 H ARG A 46 3.230 4.224 -3.306 1.00 0.00 H new ATOM 0 HA ARG A 46 4.930 6.055 -4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.367 6.102 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.178 7.518 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.825 7.187 -4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.901 5.974 -3.698 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.136 8.932 -3.054 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.695 8.051 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 46 1.942 7.085 -1.040 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.368 9.300 -2.529 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.313 9.494 -1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.723 7.338 0.857 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.698 8.388 0.860 1.00 0.00 H new ATOM 735 N LYS A 47 6.006 5.180 -1.373 1.00 0.00 N ATOM 736 CA LYS A 47 7.186 5.142 -0.518 1.00 0.00 C ATOM 737 C LYS A 47 8.292 4.306 -1.153 1.00 0.00 C ATOM 738 O LYS A 47 9.476 4.527 -0.896 1.00 0.00 O ATOM 739 CB LYS A 47 6.828 4.572 0.857 1.00 0.00 C ATOM 740 CG LYS A 47 6.390 5.628 1.858 1.00 0.00 C ATOM 741 CD LYS A 47 4.888 5.853 1.810 1.00 0.00 C ATOM 742 CE LYS A 47 4.143 4.823 2.644 1.00 0.00 C ATOM 743 NZ LYS A 47 2.685 5.116 2.715 1.00 0.00 N ATOM 0 H LYS A 47 5.170 4.773 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 47 7.549 6.163 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.029 3.840 0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.692 4.040 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.681 5.321 2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.906 6.565 1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.657 6.854 2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.544 5.803 0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.294 3.832 2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.559 4.802 3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.439 5.423 3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.449 5.871 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.147 4.259 2.477 1.00 0.00 H new ATOM 757 N ASP A 48 7.900 3.348 -1.985 1.00 0.00 N ATOM 758 CA ASP A 48 8.858 2.481 -2.660 1.00 0.00 C ATOM 759 C ASP A 48 9.376 3.133 -3.938 1.00 0.00 C ATOM 760 O ASP A 48 9.488 2.483 -4.977 1.00 0.00 O ATOM 761 CB ASP A 48 8.217 1.131 -2.985 1.00 0.00 C ATOM 762 CG ASP A 48 9.244 0.032 -3.173 1.00 0.00 C ATOM 763 OD1 ASP A 48 10.039 0.122 -4.132 1.00 0.00 O ATOM 764 OD2 ASP A 48 9.253 -0.918 -2.363 1.00 0.00 O ATOM 0 H ASP A 48 6.924 3.152 -2.208 1.00 0.00 H new ATOM 0 HA ASP A 48 9.701 2.321 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.535 0.853 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.620 1.225 -3.892 1.00 0.00 H new ATOM 769 N SER A 49 9.688 4.422 -3.854 1.00 0.00 N ATOM 770 CA SER A 49 10.189 5.165 -5.005 1.00 0.00 C ATOM 771 C SER A 49 11.409 5.999 -4.625 1.00 0.00 C ATOM 772 O SER A 49 11.559 7.137 -5.070 1.00 0.00 O ATOM 773 CB SER A 49 9.093 6.071 -5.570 1.00 0.00 C ATOM 774 OG SER A 49 9.564 6.803 -6.688 1.00 0.00 O ATOM 0 H SER A 49 9.603 4.974 -3.001 1.00 0.00 H new ATOM 0 HA SER A 49 10.486 4.446 -5.769 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.233 5.468 -5.862 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.752 6.760 -4.797 1.00 0.00 H new ATOM 0 HG SER A 49 10.454 7.163 -6.492 1.00 0.00 H new ATOM 780 N CYS A 50 12.276 5.424 -3.799 1.00 0.00 N ATOM 781 CA CYS A 50 13.483 6.114 -3.357 1.00 0.00 C ATOM 782 C CYS A 50 14.715 5.562 -4.068 1.00 0.00 C ATOM 783 O CYS A 50 15.693 5.180 -3.426 1.00 0.00 O ATOM 784 CB CYS A 50 13.649 5.977 -1.843 1.00 0.00 C ATOM 785 SG CYS A 50 14.985 6.980 -1.153 1.00 0.00 S ATOM 0 H CYS A 50 12.166 4.483 -3.422 1.00 0.00 H new ATOM 0 HA CYS A 50 13.382 7.170 -3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 50 12.713 6.256 -1.359 1.00 0.00 H new ATOM 0 HB3 CYS A 50 13.833 4.930 -1.602 1.00 0.00 H new ATOM 0 HG CYS A 50 16.088 6.735 -1.796 1.00 0.00 H new ATOM 791 N GLN A 51 14.658 5.523 -5.395 1.00 0.00 N ATOM 792 CA GLN A 51 15.769 5.016 -6.192 1.00 0.00 C ATOM 793 C GLN A 51 16.788 6.116 -6.467 1.00 0.00 C ATOM 794 O GLN A 51 17.974 5.964 -6.175 1.00 0.00 O ATOM 795 CB GLN A 51 15.255 4.438 -7.512 1.00 0.00 C ATOM 796 CG GLN A 51 16.357 4.139 -8.515 1.00 0.00 C ATOM 797 CD GLN A 51 17.521 3.388 -7.897 1.00 0.00 C ATOM 798 OE1 GLN A 51 17.365 2.701 -6.887 1.00 0.00 O ATOM 799 NE2 GLN A 51 18.696 3.517 -8.501 1.00 0.00 N ATOM 0 H GLN A 51 13.855 5.836 -5.941 1.00 0.00 H new ATOM 0 HA GLN A 51 16.260 4.226 -5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 51 14.703 3.521 -7.307 1.00 0.00 H new ATOM 0 HB3 GLN A 51 14.551 5.141 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.946 3.552 -9.336 1.00 0.00 H new ATOM 0 HG3 GLN A 51 16.719 5.075 -8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.779 4.097 -9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.516 3.036 -8.130 1.00 0.00 H new ATOM 808 N GLU A 52 16.318 7.224 -7.032 1.00 0.00 N ATOM 809 CA GLU A 52 17.190 8.349 -7.348 1.00 0.00 C ATOM 810 C GLU A 52 16.554 9.668 -6.917 1.00 0.00 C ATOM 811 O GLU A 52 16.005 10.402 -7.739 1.00 0.00 O ATOM 812 CB GLU A 52 17.494 8.383 -8.847 1.00 0.00 C ATOM 813 CG GLU A 52 18.674 9.268 -9.210 1.00 0.00 C ATOM 814 CD GLU A 52 18.547 9.872 -10.595 1.00 0.00 C ATOM 815 OE1 GLU A 52 17.402 10.072 -11.051 1.00 0.00 O ATOM 816 OE2 GLU A 52 19.591 10.143 -11.223 1.00 0.00 O ATOM 0 H GLU A 52 15.339 7.366 -7.280 1.00 0.00 H new ATOM 0 HA GLU A 52 18.122 8.218 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.693 7.368 -9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.610 8.734 -9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 52 18.762 10.069 -8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 52 19.592 8.683 -9.156 1.00 0.00 H new ATOM 823 N ALA A 53 16.632 9.961 -5.623 1.00 0.00 N ATOM 824 CA ALA A 53 16.066 11.191 -5.083 1.00 0.00 C ATOM 825 C ALA A 53 17.131 12.275 -4.955 1.00 0.00 C ATOM 826 O ALA A 53 17.752 12.427 -3.903 1.00 0.00 O ATOM 827 CB ALA A 53 15.416 10.925 -3.734 1.00 0.00 C ATOM 0 H ALA A 53 17.082 9.363 -4.929 1.00 0.00 H new ATOM 0 HA ALA A 53 15.304 11.547 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.998 11.852 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.620 10.189 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 53 16.164 10.542 -3.039 1.00 0.00 H new ATOM 833 N ALA A 54 17.338 13.026 -6.032 1.00 0.00 N ATOM 834 CA ALA A 54 18.327 14.096 -6.038 1.00 0.00 C ATOM 835 C ALA A 54 17.726 15.402 -5.528 1.00 0.00 C ATOM 836 O ALA A 54 17.164 16.181 -6.299 1.00 0.00 O ATOM 837 CB ALA A 54 18.893 14.284 -7.438 1.00 0.00 C ATOM 0 H ALA A 54 16.834 12.913 -6.911 1.00 0.00 H new ATOM 0 HA ALA A 54 19.137 13.812 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.631 15.087 -7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 54 19.368 13.359 -7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.087 14.541 -8.125 1.00 0.00 H new ATOM 843 N LEU A 55 17.848 15.635 -4.226 1.00 0.00 N ATOM 844 CA LEU A 55 17.316 16.847 -3.613 1.00 0.00 C ATOM 845 C LEU A 55 18.425 17.863 -3.362 1.00 0.00 C ATOM 846 O LEU A 55 19.513 17.509 -2.908 1.00 0.00 O ATOM 847 CB LEU A 55 16.610 16.510 -2.298 1.00 0.00 C ATOM 848 CG LEU A 55 15.400 15.581 -2.404 1.00 0.00 C ATOM 849 CD1 LEU A 55 15.121 14.913 -1.067 1.00 0.00 C ATOM 850 CD2 LEU A 55 14.178 16.350 -2.884 1.00 0.00 C ATOM 0 H LEU A 55 18.310 15.001 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 55 16.596 17.287 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 55 17.336 16.053 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 55 16.288 17.442 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 55 15.625 14.804 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.257 14.256 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 55 15.990 14.328 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.916 15.675 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.326 15.673 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.950 17.149 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.381 16.780 -3.865 1.00 0.00 H new ATOM 862 N ASN A 56 18.142 19.127 -3.659 1.00 0.00 N ATOM 863 CA ASN A 56 19.116 20.195 -3.463 1.00 0.00 C ATOM 864 C ASN A 56 18.532 21.314 -2.606 1.00 0.00 C ATOM 865 O ASN A 56 19.190 21.824 -1.699 1.00 0.00 O ATOM 866 CB ASN A 56 19.567 20.754 -4.814 1.00 0.00 C ATOM 867 CG ASN A 56 18.436 20.815 -5.822 1.00 0.00 C ATOM 868 OD1 ASN A 56 17.264 20.888 -5.453 1.00 0.00 O ATOM 869 ND2 ASN A 56 18.784 20.785 -7.103 1.00 0.00 N ATOM 0 H ASN A 56 17.246 19.437 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 56 19.978 19.777 -2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 56 19.977 21.754 -4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 56 20.370 20.133 -5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.067 20.823 -7.827 1.00 0.00 H new ATOM 0 HD22 ASN A 56 19.768 20.724 -7.363 1.00 0.00 H new ATOM 876 N LYS A 57 17.292 21.690 -2.899 1.00 0.00 N ATOM 877 CA LYS A 57 16.616 22.747 -2.155 1.00 0.00 C ATOM 878 C LYS A 57 15.164 22.373 -1.875 1.00 0.00 C ATOM 879 O LYS A 57 14.383 22.142 -2.799 1.00 0.00 O ATOM 880 CB LYS A 57 16.674 24.063 -2.934 1.00 0.00 C ATOM 881 CG LYS A 57 15.828 24.061 -4.195 1.00 0.00 C ATOM 882 CD LYS A 57 16.058 25.315 -5.022 1.00 0.00 C ATOM 883 CE LYS A 57 15.713 25.088 -6.486 1.00 0.00 C ATOM 884 NZ LYS A 57 16.241 26.176 -7.356 1.00 0.00 N ATOM 0 H LYS A 57 16.734 21.278 -3.647 1.00 0.00 H new ATOM 0 HA LYS A 57 17.130 22.872 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 57 16.343 24.874 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 57 17.710 24.272 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 57 16.066 23.181 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.774 23.989 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.451 26.130 -4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 57 17.100 25.623 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 57 16.123 24.132 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.631 25.026 -6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.985 25.984 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.831 27.085 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.276 26.219 -7.268 1.00 0.00 H new ATOM 898 N ASP A 58 14.809 22.315 -0.596 1.00 0.00 N ATOM 899 CA ASP A 58 13.450 21.971 -0.195 1.00 0.00 C ATOM 900 C ASP A 58 13.010 22.805 1.004 1.00 0.00 C ATOM 901 O ASP A 58 13.812 23.113 1.885 1.00 0.00 O ATOM 902 CB ASP A 58 13.356 20.482 0.142 1.00 0.00 C ATOM 903 CG ASP A 58 14.105 20.127 1.411 1.00 0.00 C ATOM 904 OD1 ASP A 58 15.206 20.677 1.623 1.00 0.00 O ATOM 905 OD2 ASP A 58 13.591 19.299 2.192 1.00 0.00 O ATOM 0 H ASP A 58 15.443 22.502 0.181 1.00 0.00 H new ATOM 0 HA ASP A 58 12.785 22.189 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.308 20.203 0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.756 19.899 -0.688 1.00 0.00 H new ATOM 910 N GLU A 59 11.732 23.169 1.029 1.00 0.00 N ATOM 911 CA GLU A 59 11.187 23.969 2.119 1.00 0.00 C ATOM 912 C GLU A 59 10.704 23.078 3.260 1.00 0.00 C ATOM 913 O GLU A 59 11.048 23.296 4.421 1.00 0.00 O ATOM 914 CB GLU A 59 10.034 24.840 1.615 1.00 0.00 C ATOM 915 CG GLU A 59 9.669 25.973 2.559 1.00 0.00 C ATOM 916 CD GLU A 59 8.639 25.563 3.593 1.00 0.00 C ATOM 917 OE1 GLU A 59 7.591 25.009 3.199 1.00 0.00 O ATOM 918 OE2 GLU A 59 8.880 25.796 4.796 1.00 0.00 O ATOM 0 H GLU A 59 11.055 22.923 0.307 1.00 0.00 H new ATOM 0 HA GLU A 59 11.982 24.613 2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.303 25.259 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.157 24.212 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.568 26.322 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.283 26.813 1.981 1.00 0.00 H new ATOM 925 N GLY A 60 9.904 22.072 2.920 1.00 0.00 N ATOM 926 CA GLY A 60 9.387 21.163 3.926 1.00 0.00 C ATOM 927 C GLY A 60 8.272 20.283 3.394 1.00 0.00 C ATOM 928 O GLY A 60 8.220 19.090 3.689 1.00 0.00 O ATOM 0 H GLY A 60 9.605 21.870 1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.198 20.534 4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.018 21.738 4.776 1.00 0.00 H new ATOM 932 N ASN A 61 7.377 20.874 2.609 1.00 0.00 N ATOM 933 CA ASN A 61 6.257 20.137 2.037 1.00 0.00 C ATOM 934 C ASN A 61 5.480 19.399 3.123 1.00 0.00 C ATOM 935 O ASN A 61 5.081 18.249 2.942 1.00 0.00 O ATOM 936 CB ASN A 61 6.757 19.141 0.987 1.00 0.00 C ATOM 937 CG ASN A 61 7.167 19.821 -0.305 1.00 0.00 C ATOM 938 OD1 ASN A 61 6.320 20.236 -1.096 1.00 0.00 O ATOM 939 ND2 ASN A 61 8.471 19.937 -0.525 1.00 0.00 N ATOM 0 H ASN A 61 7.406 21.861 2.355 1.00 0.00 H new ATOM 0 HA ASN A 61 5.589 20.854 1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.606 18.589 1.389 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.973 18.413 0.778 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.806 20.385 -1.378 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.137 19.578 0.159 1.00 0.00 H new ATOM 946 N GLU A 62 5.267 20.071 4.250 1.00 0.00 N ATOM 947 CA GLU A 62 4.538 19.479 5.365 1.00 0.00 C ATOM 948 C GLU A 62 3.107 19.137 4.959 1.00 0.00 C ATOM 949 O GLU A 62 2.484 19.855 4.177 1.00 0.00 O ATOM 950 CB GLU A 62 4.526 20.435 6.561 1.00 0.00 C ATOM 951 CG GLU A 62 5.911 20.769 7.086 1.00 0.00 C ATOM 952 CD GLU A 62 6.512 19.643 7.906 1.00 0.00 C ATOM 953 OE1 GLU A 62 5.739 18.837 8.463 1.00 0.00 O ATOM 954 OE2 GLU A 62 7.756 19.570 7.989 1.00 0.00 O ATOM 0 H GLU A 62 5.589 21.025 4.415 1.00 0.00 H new ATOM 0 HA GLU A 62 5.047 18.558 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.024 21.358 6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.939 19.991 7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.569 20.993 6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.856 21.670 7.698 1.00 0.00 H new ATOM 961 N SER A 63 2.593 18.036 5.497 1.00 0.00 N ATOM 962 CA SER A 63 1.238 17.595 5.188 1.00 0.00 C ATOM 963 C SER A 63 0.277 18.780 5.148 1.00 0.00 C ATOM 964 O SER A 63 0.446 19.755 5.878 1.00 0.00 O ATOM 965 CB SER A 63 0.762 16.573 6.222 1.00 0.00 C ATOM 966 OG SER A 63 1.385 15.316 6.020 1.00 0.00 O ATOM 0 H SER A 63 3.094 17.433 6.149 1.00 0.00 H new ATOM 0 HA SER A 63 1.251 17.126 4.204 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.984 16.936 7.226 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.320 16.461 6.156 1.00 0.00 H new ATOM 0 HG SER A 63 1.066 14.681 6.694 1.00 0.00 H new ATOM 972 N GLY A 64 -0.733 18.686 4.289 1.00 0.00 N ATOM 973 CA GLY A 64 -1.707 19.756 4.169 1.00 0.00 C ATOM 974 C GLY A 64 -2.910 19.355 3.338 1.00 0.00 C ATOM 975 O GLY A 64 -3.351 18.206 3.384 1.00 0.00 O ATOM 0 H GLY A 64 -0.895 17.888 3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.039 20.054 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.232 20.627 3.718 1.00 0.00 H new ATOM 979 N LYS A 65 -3.444 20.304 2.577 1.00 0.00 N ATOM 980 CA LYS A 65 -4.604 20.045 1.732 1.00 0.00 C ATOM 981 C LYS A 65 -4.201 19.974 0.262 1.00 0.00 C ATOM 982 O LYS A 65 -4.444 18.972 -0.411 1.00 0.00 O ATOM 983 CB LYS A 65 -5.659 21.136 1.931 1.00 0.00 C ATOM 984 CG LYS A 65 -6.553 20.904 3.137 1.00 0.00 C ATOM 985 CD LYS A 65 -7.508 19.745 2.908 1.00 0.00 C ATOM 986 CE LYS A 65 -8.647 20.136 1.978 1.00 0.00 C ATOM 987 NZ LYS A 65 -9.224 18.954 1.280 1.00 0.00 N ATOM 0 H LYS A 65 -3.092 21.260 2.528 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.026 19.083 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.159 22.098 2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.279 21.198 1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.938 20.702 4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.122 21.809 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.963 18.902 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.915 19.413 3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.428 20.636 2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.284 20.852 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.997 19.262 0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.485 18.491 0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.594 18.282 1.983 1.00 0.00 H new ATOM 1001 N LYS A 66 -3.584 21.043 -0.229 1.00 0.00 N ATOM 1002 CA LYS A 66 -3.145 21.101 -1.619 1.00 0.00 C ATOM 1003 C LYS A 66 -1.908 20.234 -1.835 1.00 0.00 C ATOM 1004 O LYS A 66 -1.816 19.501 -2.821 1.00 0.00 O ATOM 1005 CB LYS A 66 -2.843 22.547 -2.019 1.00 0.00 C ATOM 1006 CG LYS A 66 -3.038 22.822 -3.500 1.00 0.00 C ATOM 1007 CD LYS A 66 -2.446 24.162 -3.902 1.00 0.00 C ATOM 1008 CE LYS A 66 -2.130 24.209 -5.389 1.00 0.00 C ATOM 1009 NZ LYS A 66 -3.300 24.666 -6.190 1.00 0.00 N ATOM 0 H LYS A 66 -3.376 21.881 0.314 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.950 20.717 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.486 23.215 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.814 22.783 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.571 22.028 -4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.102 22.808 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.146 24.960 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.537 24.345 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.288 24.880 -5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.823 23.219 -5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.045 24.685 -7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.096 24.012 -6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.577 25.621 -5.886 1.00 0.00 H new ATOM 1023 N THR A 67 -0.960 20.321 -0.908 1.00 0.00 N ATOM 1024 CA THR A 67 0.270 19.545 -0.998 1.00 0.00 C ATOM 1025 C THR A 67 0.388 18.566 0.164 1.00 0.00 C ATOM 1026 O THR A 67 0.033 18.888 1.298 1.00 0.00 O ATOM 1027 CB THR A 67 1.511 20.458 -1.013 1.00 0.00 C ATOM 1028 OG1 THR A 67 1.461 21.370 0.089 1.00 0.00 O ATOM 1029 CG2 THR A 67 1.595 21.235 -2.318 1.00 0.00 C ATOM 0 H THR A 67 -1.021 20.922 -0.086 1.00 0.00 H new ATOM 0 HA THR A 67 0.225 18.990 -1.935 1.00 0.00 H new ATOM 0 HB THR A 67 2.398 19.831 -0.925 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.254 21.946 0.073 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.479 21.873 -2.306 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.662 20.538 -3.153 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.704 21.852 -2.432 1.00 0.00 H new ATOM 1037 N SER A 68 0.890 17.369 -0.125 1.00 0.00 N ATOM 1038 CA SER A 68 1.052 16.341 0.897 1.00 0.00 C ATOM 1039 C SER A 68 2.276 15.478 0.610 1.00 0.00 C ATOM 1040 O SER A 68 2.712 15.360 -0.535 1.00 0.00 O ATOM 1041 CB SER A 68 -0.199 15.463 0.970 1.00 0.00 C ATOM 1042 OG SER A 68 -0.324 14.656 -0.187 1.00 0.00 O ATOM 0 H SER A 68 1.191 17.087 -1.058 1.00 0.00 H new ATOM 0 HA SER A 68 1.196 16.837 1.857 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.151 14.829 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.083 16.092 1.076 1.00 0.00 H new ATOM 0 HG SER A 68 -1.130 14.103 -0.115 1.00 0.00 H new ATOM 1048 N GLY A 69 2.828 14.875 1.659 1.00 0.00 N ATOM 1049 CA GLY A 69 3.997 14.031 1.500 1.00 0.00 C ATOM 1050 C GLY A 69 5.003 14.217 2.618 1.00 0.00 C ATOM 1051 O GLY A 69 5.145 15.303 3.180 1.00 0.00 O ATOM 0 H GLY A 69 2.486 14.956 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.686 12.987 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.474 14.253 0.545 1.00 0.00 H new ATOM 1055 N PRO A 70 5.724 13.138 2.957 1.00 0.00 N ATOM 1056 CA PRO A 70 6.734 13.162 4.019 1.00 0.00 C ATOM 1057 C PRO A 70 7.961 13.981 3.633 1.00 0.00 C ATOM 1058 O PRO A 70 8.310 14.077 2.457 1.00 0.00 O ATOM 1059 CB PRO A 70 7.107 11.687 4.187 1.00 0.00 C ATOM 1060 CG PRO A 70 6.797 11.065 2.869 1.00 0.00 C ATOM 1061 CD PRO A 70 5.608 11.811 2.329 1.00 0.00 C ATOM 0 HA PRO A 70 6.357 13.627 4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.161 11.572 4.441 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.533 11.222 4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.647 11.142 2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.574 10.004 2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.635 11.877 1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.671 11.321 2.595 1.00 0.00 H new ATOM 1069 N SER A 71 8.612 14.569 4.632 1.00 0.00 N ATOM 1070 CA SER A 71 9.799 15.383 4.396 1.00 0.00 C ATOM 1071 C SER A 71 10.969 14.897 5.246 1.00 0.00 C ATOM 1072 O SER A 71 10.799 14.549 6.415 1.00 0.00 O ATOM 1073 CB SER A 71 9.505 16.852 4.705 1.00 0.00 C ATOM 1074 OG SER A 71 10.293 17.711 3.898 1.00 0.00 O ATOM 0 H SER A 71 8.338 14.497 5.612 1.00 0.00 H new ATOM 0 HA SER A 71 10.072 15.288 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.448 17.058 4.536 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.705 17.052 5.758 1.00 0.00 H new ATOM 0 HG SER A 71 9.708 18.243 3.319 1.00 0.00 H new ATOM 1080 N SER A 72 12.157 14.876 4.650 1.00 0.00 N ATOM 1081 CA SER A 72 13.355 14.429 5.351 1.00 0.00 C ATOM 1082 C SER A 72 14.280 15.605 5.649 1.00 0.00 C ATOM 1083 O SER A 72 14.525 16.451 4.790 1.00 0.00 O ATOM 1084 CB SER A 72 14.097 13.381 4.519 1.00 0.00 C ATOM 1085 OG SER A 72 15.383 13.123 5.053 1.00 0.00 O ATOM 0 H SER A 72 12.315 15.163 3.684 1.00 0.00 H new ATOM 0 HA SER A 72 13.048 13.982 6.296 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.519 12.457 4.493 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.190 13.728 3.490 1.00 0.00 H new ATOM 0 HG SER A 72 15.836 12.449 4.504 1.00 0.00 H new ATOM 1091 N GLY A 73 14.791 15.652 6.876 1.00 0.00 N ATOM 1092 CA GLY A 73 15.683 16.727 7.268 1.00 0.00 C ATOM 1093 C GLY A 73 16.734 17.021 6.216 1.00 0.00 C ATOM 1094 O GLY A 73 17.911 17.127 6.558 1.00 0.00 O ATOM 0 H GLY A 73 14.603 14.964 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.100 17.628 7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.175 16.464 8.205 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 0.903 -0.308 -6.060 1.00 0.00 ZN