USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 32 SER OG : rot -43:sc= 1.23 USER MOD Set 1.2: A 33 GLN : amide:sc= -0.238 X(o=1,f=0.8) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.167 K(o=0.38,f=-2.4!) USER MOD Set 2.2: A 26 THR OG1 : rot -160:sc= 0.218 USER MOD Single : A 1 GLY N :NH3+ -172:sc= 0.812 (180deg=0.788) USER MOD Single : A 2 TYR OH : rot -13:sc= 1.3 USER MOD Single : A 6 SER OG : rot -78:sc= 1.36 USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= 0.617 (180deg=0.267) USER MOD Single : A 12 GLN : amide:sc= 2.11 K(o=2.1,f=-7.6!) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= 0.456 (180deg=-0.194!) USER MOD Single : A 17 MET CE :methyl 137:sc= -1.08 (180deg=-3.92!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 99:sc= 1.25 USER MOD Single : A 29 GLN : amide:sc= 1.22 K(o=1.2,f=-0.0088) USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0.181 (180deg=0.103) USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= 1.11 (180deg=0.645) USER MOD Single : A 46 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 49 MET CE :methyl 168:sc= -0.101 (180deg=-0.575) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -113:sc= 1.22 USER MOD Single : A 62 THR OG1 : rot -82:sc= 1.23 USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 0.021 (180deg=-2.37!) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.2) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 74 LYS NZ :NH3+ -169:sc= 0.959 (180deg=0.856) USER MOD Single : A 77 LYS NZ :NH3+ -131:sc= 0.354 (180deg=-3.09!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.911 -0.920 4.143 1.00 0.00 N ATOM 2 CA GLY A 1 -16.533 -1.996 5.088 1.00 0.00 C ATOM 3 C GLY A 1 -15.285 -1.612 5.880 1.00 0.00 C ATOM 4 O GLY A 1 -14.671 -0.601 5.545 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.833 -1.142 3.715 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.975 -0.016 4.653 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.192 -0.846 3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.358 -2.190 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.350 -2.920 4.539 1.00 0.00 H new ATOM 10 N TYR A 2 -14.870 -2.419 6.880 1.00 0.00 N ATOM 11 CA TYR A 2 -13.626 -2.180 7.641 1.00 0.00 C ATOM 12 C TYR A 2 -12.434 -1.983 6.697 1.00 0.00 C ATOM 13 O TYR A 2 -11.568 -1.158 6.976 1.00 0.00 O ATOM 14 CB TYR A 2 -13.340 -3.297 8.669 1.00 0.00 C ATOM 15 CG TYR A 2 -12.006 -3.128 9.395 1.00 0.00 C ATOM 16 CD1 TYR A 2 -11.735 -1.937 10.097 1.00 0.00 C ATOM 17 CD2 TYR A 2 -10.996 -4.111 9.300 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.448 -1.684 10.602 1.00 0.00 C ATOM 19 CE2 TYR A 2 -9.706 -3.868 9.818 1.00 0.00 C ATOM 20 CZ TYR A 2 -9.412 -2.627 10.428 1.00 0.00 C ATOM 21 OH TYR A 2 -8.128 -2.275 10.712 1.00 0.00 O ATOM 0 H TYR A 2 -15.383 -3.248 7.180 1.00 0.00 H new ATOM 0 HA TYR A 2 -13.773 -1.260 8.207 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.145 -3.319 9.404 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.348 -4.260 8.159 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.522 -1.213 10.248 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.213 -5.057 8.827 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.250 -0.761 11.127 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -8.944 -4.630 9.748 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.071 -1.302 10.815 1.00 0.00 H new ATOM 31 N PHE A 3 -12.460 -2.668 5.545 1.00 0.00 N ATOM 32 CA PHE A 3 -11.510 -2.535 4.451 1.00 0.00 C ATOM 33 C PHE A 3 -11.076 -1.096 4.184 1.00 0.00 C ATOM 34 O PHE A 3 -9.912 -0.912 3.856 1.00 0.00 O ATOM 35 CB PHE A 3 -12.065 -3.154 3.165 1.00 0.00 C ATOM 36 CG PHE A 3 -11.927 -4.652 3.042 1.00 0.00 C ATOM 37 CD1 PHE A 3 -10.660 -5.189 2.744 1.00 0.00 C ATOM 38 CD2 PHE A 3 -13.049 -5.496 3.124 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.509 -6.568 2.534 1.00 0.00 C ATOM 40 CE2 PHE A 3 -12.898 -6.877 2.913 1.00 0.00 C ATOM 41 CZ PHE A 3 -11.631 -7.407 2.612 1.00 0.00 C ATOM 0 H PHE A 3 -13.182 -3.361 5.349 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.621 -3.079 4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.122 -2.898 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.563 -2.691 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.801 -4.537 2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.022 -5.085 3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.536 -6.981 2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.755 -7.531 2.982 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.521 -8.467 2.440 1.00 0.00 H new ATOM 51 N CYS A 4 -11.964 -0.098 4.277 1.00 0.00 N ATOM 52 CA CYS A 4 -11.593 1.297 4.069 1.00 0.00 C ATOM 53 C CYS A 4 -10.463 1.721 5.015 1.00 0.00 C ATOM 54 O CYS A 4 -9.433 2.219 4.567 1.00 0.00 O ATOM 55 CB CYS A 4 -12.814 2.206 4.256 1.00 0.00 C ATOM 56 SG CYS A 4 -12.580 3.824 3.488 1.00 0.00 S ATOM 0 H CYS A 4 -12.950 -0.238 4.497 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.229 1.398 3.047 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.693 1.725 3.827 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.010 2.335 5.320 1.00 0.00 H new ATOM 61 N GLU A 5 -10.640 1.498 6.320 1.00 0.00 N ATOM 62 CA GLU A 5 -9.639 1.774 7.343 1.00 0.00 C ATOM 63 C GLU A 5 -8.422 0.895 7.080 1.00 0.00 C ATOM 64 O GLU A 5 -7.308 1.407 7.031 1.00 0.00 O ATOM 65 CB GLU A 5 -10.242 1.533 8.738 1.00 0.00 C ATOM 66 CG GLU A 5 -9.450 2.171 9.892 1.00 0.00 C ATOM 67 CD GLU A 5 -8.069 1.557 10.157 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.970 0.365 10.546 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.055 2.285 10.067 1.00 0.00 O ATOM 0 H GLU A 5 -11.505 1.112 6.699 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.323 2.816 7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.260 1.923 8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.310 0.459 8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.323 3.233 9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.044 2.096 10.803 1.00 0.00 H new ATOM 76 N SER A 6 -8.625 -0.410 6.863 1.00 0.00 N ATOM 77 CA SER A 6 -7.535 -1.344 6.622 1.00 0.00 C ATOM 78 C SER A 6 -6.631 -0.835 5.493 1.00 0.00 C ATOM 79 O SER A 6 -5.416 -0.760 5.646 1.00 0.00 O ATOM 80 CB SER A 6 -8.082 -2.724 6.245 1.00 0.00 C ATOM 81 OG SER A 6 -9.231 -3.099 6.972 1.00 0.00 O ATOM 0 H SER A 6 -9.550 -0.841 6.851 1.00 0.00 H new ATOM 0 HA SER A 6 -6.954 -1.426 7.541 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.318 -2.733 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.303 -3.469 6.405 1.00 0.00 H new ATOM 0 HG SER A 6 -8.968 -3.397 7.868 1.00 0.00 H new ATOM 87 N CYS A 7 -7.241 -0.480 4.365 1.00 0.00 N ATOM 88 CA CYS A 7 -6.630 0.062 3.170 1.00 0.00 C ATOM 89 C CYS A 7 -5.911 1.362 3.493 1.00 0.00 C ATOM 90 O CYS A 7 -4.727 1.478 3.188 1.00 0.00 O ATOM 91 CB CYS A 7 -7.732 0.267 2.132 1.00 0.00 C ATOM 92 SG CYS A 7 -7.262 1.170 0.643 1.00 0.00 S ATOM 0 H CYS A 7 -8.251 -0.574 4.262 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.883 -0.623 2.770 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.110 -0.711 1.835 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.557 0.796 2.608 1.00 0.00 H new ATOM 97 N ARG A 8 -6.590 2.318 4.138 1.00 0.00 N ATOM 98 CA ARG A 8 -5.987 3.584 4.533 1.00 0.00 C ATOM 99 C ARG A 8 -4.727 3.318 5.347 1.00 0.00 C ATOM 100 O ARG A 8 -3.701 3.926 5.061 1.00 0.00 O ATOM 101 CB ARG A 8 -7.031 4.460 5.257 1.00 0.00 C ATOM 102 CG ARG A 8 -6.527 5.866 5.634 1.00 0.00 C ATOM 103 CD ARG A 8 -6.049 5.979 7.088 1.00 0.00 C ATOM 104 NE ARG A 8 -5.323 7.248 7.311 1.00 0.00 N ATOM 105 CZ ARG A 8 -5.816 8.417 7.746 1.00 0.00 C ATOM 106 NH1 ARG A 8 -7.101 8.543 8.079 1.00 0.00 N ATOM 107 NH2 ARG A 8 -5.002 9.463 7.833 1.00 0.00 N ATOM 0 H ARG A 8 -7.572 2.230 4.398 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.672 4.153 3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.909 4.561 4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.353 3.947 6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.708 6.139 4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.328 6.587 5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.905 5.922 7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.399 5.137 7.327 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.323 7.232 7.109 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.728 7.742 8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.457 9.441 8.408 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.021 9.369 7.571 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.358 10.361 8.162 1.00 0.00 H new ATOM 121 N LYS A 9 -4.778 2.405 6.318 1.00 0.00 N ATOM 122 CA LYS A 9 -3.637 2.038 7.146 1.00 0.00 C ATOM 123 C LYS A 9 -2.529 1.433 6.282 1.00 0.00 C ATOM 124 O LYS A 9 -1.379 1.831 6.429 1.00 0.00 O ATOM 125 CB LYS A 9 -4.098 1.070 8.252 1.00 0.00 C ATOM 126 CG LYS A 9 -3.123 1.047 9.440 1.00 0.00 C ATOM 127 CD LYS A 9 -3.360 -0.118 10.418 1.00 0.00 C ATOM 128 CE LYS A 9 -4.821 -0.361 10.833 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.455 0.777 11.526 1.00 0.00 N ATOM 0 H LYS A 9 -5.629 1.894 6.552 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.225 2.927 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.088 1.363 8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.190 0.065 7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.103 0.988 9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.206 1.988 9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.975 -1.031 9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.772 0.064 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.404 -0.599 9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.861 -1.235 11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.329 0.457 11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.801 1.156 12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.683 1.521 10.836 1.00 0.00 H new ATOM 143 N ILE A 10 -2.852 0.464 5.421 1.00 0.00 N ATOM 144 CA ILE A 10 -1.892 -0.268 4.593 1.00 0.00 C ATOM 145 C ILE A 10 -1.171 0.698 3.649 1.00 0.00 C ATOM 146 O ILE A 10 0.057 0.686 3.616 1.00 0.00 O ATOM 147 CB ILE A 10 -2.572 -1.485 3.915 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.890 -2.548 4.995 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.683 -2.165 2.855 1.00 0.00 C ATOM 150 CD1 ILE A 10 -3.979 -3.538 4.575 1.00 0.00 C ATOM 0 H ILE A 10 -3.815 0.159 5.277 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.106 -0.704 5.209 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.467 -1.107 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.980 -3.100 5.230 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.202 -2.043 5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.218 -3.009 2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.437 -1.448 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.765 -2.520 3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.150 -4.254 5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.902 -2.997 4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.661 -4.070 3.678 1.00 0.00 H new ATOM 162 N ILE A 11 -1.903 1.546 2.922 1.00 0.00 N ATOM 163 CA ILE A 11 -1.320 2.559 2.051 1.00 0.00 C ATOM 164 C ILE A 11 -0.459 3.506 2.879 1.00 0.00 C ATOM 165 O ILE A 11 0.721 3.652 2.581 1.00 0.00 O ATOM 166 CB ILE A 11 -2.428 3.302 1.263 1.00 0.00 C ATOM 167 CG1 ILE A 11 -3.171 2.400 0.247 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.893 4.558 0.555 1.00 0.00 C ATOM 169 CD1 ILE A 11 -2.290 1.684 -0.782 1.00 0.00 C ATOM 0 H ILE A 11 -2.923 1.546 2.924 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.676 2.084 1.311 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.152 3.607 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.733 1.648 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.898 3.011 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.705 5.046 0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.484 5.246 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.110 4.274 -0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.916 1.082 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.747 2.422 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.580 1.038 -0.266 1.00 0.00 H new ATOM 181 N GLN A 12 -1.025 4.140 3.909 1.00 0.00 N ATOM 182 CA GLN A 12 -0.308 5.146 4.681 1.00 0.00 C ATOM 183 C GLN A 12 0.954 4.589 5.308 1.00 0.00 C ATOM 184 O GLN A 12 1.939 5.311 5.398 1.00 0.00 O ATOM 185 CB GLN A 12 -1.200 5.772 5.753 1.00 0.00 C ATOM 186 CG GLN A 12 -2.196 6.743 5.109 1.00 0.00 C ATOM 187 CD GLN A 12 -1.985 8.158 5.624 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.711 8.586 6.524 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.021 8.882 5.084 1.00 0.00 N ATOM 0 H GLN A 12 -1.980 3.971 4.225 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.016 5.926 3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.738 4.991 6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.587 6.299 6.484 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.079 6.725 4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.215 6.421 5.325 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.443 8.489 4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.855 9.834 5.410 1.00 0.00 H new ATOM 198 N LYS A 13 0.944 3.347 5.803 1.00 0.00 N ATOM 199 CA LYS A 13 2.163 2.825 6.391 1.00 0.00 C ATOM 200 C LYS A 13 3.197 2.554 5.290 1.00 0.00 C ATOM 201 O LYS A 13 4.379 2.565 5.598 1.00 0.00 O ATOM 202 CB LYS A 13 1.911 1.657 7.356 1.00 0.00 C ATOM 203 CG LYS A 13 3.073 1.467 8.357 1.00 0.00 C ATOM 204 CD LYS A 13 3.111 2.614 9.394 1.00 0.00 C ATOM 205 CE LYS A 13 4.338 2.550 10.308 1.00 0.00 C ATOM 206 NZ LYS A 13 4.581 3.850 10.986 1.00 0.00 N ATOM 0 H LYS A 13 0.142 2.717 5.807 1.00 0.00 H new ATOM 0 HA LYS A 13 2.598 3.584 7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.986 1.834 7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.772 0.739 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.961 0.512 8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.019 1.430 7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.103 3.570 8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.208 2.576 10.003 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.196 1.770 11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.215 2.274 9.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.557 3.878 11.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.439 4.627 10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.918 3.957 11.780 1.00 0.00 H new ATOM 220 N LEU A 14 2.797 2.248 4.048 1.00 0.00 N ATOM 221 CA LEU A 14 3.762 2.053 2.962 1.00 0.00 C ATOM 222 C LEU A 14 4.363 3.426 2.644 1.00 0.00 C ATOM 223 O LEU A 14 5.573 3.553 2.523 1.00 0.00 O ATOM 224 CB LEU A 14 3.067 1.458 1.720 1.00 0.00 C ATOM 225 CG LEU A 14 4.008 0.731 0.736 1.00 0.00 C ATOM 226 CD1 LEU A 14 3.176 0.297 -0.474 1.00 0.00 C ATOM 227 CD2 LEU A 14 5.243 1.494 0.262 1.00 0.00 C ATOM 0 H LEU A 14 1.821 2.132 3.774 1.00 0.00 H new ATOM 0 HA LEU A 14 4.543 1.352 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.300 0.758 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.557 2.261 1.187 1.00 0.00 H new ATOM 0 HG LEU A 14 4.426 -0.104 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.816 -0.221 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.381 -0.373 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.739 1.175 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.816 0.869 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.933 2.405 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.863 1.753 1.121 1.00 0.00 H new ATOM 239 N GLU A 15 3.516 4.453 2.555 1.00 0.00 N ATOM 240 CA GLU A 15 3.859 5.855 2.330 1.00 0.00 C ATOM 241 C GLU A 15 4.912 6.266 3.383 1.00 0.00 C ATOM 242 O GLU A 15 6.012 6.676 3.029 1.00 0.00 O ATOM 243 CB GLU A 15 2.507 6.613 2.343 1.00 0.00 C ATOM 244 CG GLU A 15 2.430 8.035 1.775 1.00 0.00 C ATOM 245 CD GLU A 15 0.970 8.551 1.726 1.00 0.00 C ATOM 246 OE1 GLU A 15 0.173 8.259 2.656 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.614 9.258 0.750 1.00 0.00 O ATOM 0 H GLU A 15 2.509 4.317 2.644 1.00 0.00 H new ATOM 0 HA GLU A 15 4.338 6.086 1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.787 6.004 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.168 6.656 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.033 8.705 2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.856 8.050 0.772 1.00 0.00 H new ATOM 254 N ASP A 16 4.624 6.039 4.669 1.00 0.00 N ATOM 255 CA ASP A 16 5.519 6.217 5.830 1.00 0.00 C ATOM 256 C ASP A 16 6.834 5.448 5.745 1.00 0.00 C ATOM 257 O ASP A 16 7.807 5.840 6.386 1.00 0.00 O ATOM 258 CB ASP A 16 4.743 5.712 7.067 1.00 0.00 C ATOM 259 CG ASP A 16 5.528 5.291 8.326 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.001 4.124 8.405 1.00 0.00 O ATOM 261 OD2 ASP A 16 5.333 5.900 9.400 1.00 0.00 O ATOM 0 H ASP A 16 3.702 5.705 4.950 1.00 0.00 H new ATOM 0 HA ASP A 16 5.792 7.271 5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.047 6.498 7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.144 4.857 6.752 1.00 0.00 H new ATOM 266 N MET A 17 6.852 4.308 5.060 1.00 0.00 N ATOM 267 CA MET A 17 8.067 3.538 4.864 1.00 0.00 C ATOM 268 C MET A 17 8.912 4.072 3.729 1.00 0.00 C ATOM 269 O MET A 17 10.092 4.329 3.943 1.00 0.00 O ATOM 270 CB MET A 17 7.736 2.060 4.652 1.00 0.00 C ATOM 271 CG MET A 17 7.310 1.498 5.999 1.00 0.00 C ATOM 272 SD MET A 17 6.685 -0.183 5.956 1.00 0.00 S ATOM 273 CE MET A 17 8.260 -1.039 6.104 1.00 0.00 C ATOM 0 H MET A 17 6.025 3.897 4.628 1.00 0.00 H new ATOM 0 HA MET A 17 8.662 3.638 5.772 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.939 1.946 3.918 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.603 1.523 4.268 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.162 1.535 6.677 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.540 2.145 6.419 1.00 0.00 H new ATOM 0 HE1 MET A 17 8.159 -1.868 6.805 1.00 0.00 H new ATOM 0 HE2 MET A 17 8.558 -1.423 5.129 1.00 0.00 H new ATOM 0 HE3 MET A 17 9.018 -0.346 6.468 1.00 0.00 H new ATOM 283 N VAL A 18 8.362 4.073 2.511 1.00 0.00 N ATOM 284 CA VAL A 18 9.131 4.449 1.338 1.00 0.00 C ATOM 285 C VAL A 18 9.598 5.908 1.469 1.00 0.00 C ATOM 286 O VAL A 18 10.705 6.242 1.055 1.00 0.00 O ATOM 287 CB VAL A 18 8.361 4.104 0.051 1.00 0.00 C ATOM 288 CG1 VAL A 18 7.308 5.126 -0.375 1.00 0.00 C ATOM 289 CG2 VAL A 18 9.318 3.697 -1.064 1.00 0.00 C ATOM 0 H VAL A 18 7.393 3.818 2.320 1.00 0.00 H new ATOM 0 HA VAL A 18 10.046 3.862 1.267 1.00 0.00 H new ATOM 0 HB VAL A 18 7.751 3.234 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.824 4.789 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.562 5.229 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.786 6.090 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.749 3.458 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.002 4.519 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.888 2.822 -0.753 1.00 0.00 H new ATOM 299 N GLY A 19 8.756 6.766 2.062 1.00 0.00 N ATOM 300 CA GLY A 19 9.053 8.168 2.252 1.00 0.00 C ATOM 301 C GLY A 19 8.817 8.928 0.938 1.00 0.00 C ATOM 302 O GLY A 19 7.763 8.741 0.322 1.00 0.00 O ATOM 0 H GLY A 19 7.843 6.490 2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.423 8.580 3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.087 8.291 2.574 1.00 0.00 H new ATOM 306 N PRO A 20 9.696 9.875 0.561 1.00 0.00 N ATOM 307 CA PRO A 20 9.521 10.717 -0.616 1.00 0.00 C ATOM 308 C PRO A 20 9.658 9.919 -1.923 1.00 0.00 C ATOM 309 O PRO A 20 9.917 8.719 -1.914 1.00 0.00 O ATOM 310 CB PRO A 20 10.593 11.806 -0.478 1.00 0.00 C ATOM 311 CG PRO A 20 11.736 11.066 0.210 1.00 0.00 C ATOM 312 CD PRO A 20 10.998 10.125 1.160 1.00 0.00 C ATOM 0 HA PRO A 20 8.519 11.144 -0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 20 10.893 12.204 -1.447 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.240 12.649 0.117 1.00 0.00 H new ATOM 0 HG2 PRO A 20 12.353 10.520 -0.503 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.396 11.748 0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.550 9.194 1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.891 10.575 2.147 1.00 0.00 H new ATOM 320 N GLN A 21 9.481 10.644 -3.036 1.00 0.00 N ATOM 321 CA GLN A 21 9.499 10.247 -4.452 1.00 0.00 C ATOM 322 C GLN A 21 10.189 8.891 -4.702 1.00 0.00 C ATOM 323 O GLN A 21 11.396 8.860 -4.949 1.00 0.00 O ATOM 324 CB GLN A 21 10.145 11.373 -5.279 1.00 0.00 C ATOM 325 CG GLN A 21 9.251 12.621 -5.367 1.00 0.00 C ATOM 326 CD GLN A 21 9.990 13.836 -5.924 1.00 0.00 C ATOM 327 OE1 GLN A 21 9.991 14.894 -5.313 1.00 0.00 O ATOM 328 NE2 GLN A 21 10.622 13.730 -7.083 1.00 0.00 N ATOM 0 H GLN A 21 9.300 11.645 -2.955 1.00 0.00 H new ATOM 0 HA GLN A 21 8.467 10.100 -4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.102 11.645 -4.833 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.355 11.008 -6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.390 12.403 -5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.866 12.858 -4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.617 12.844 -7.587 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.114 14.535 -7.471 1.00 0.00 H new ATOM 337 N PRO A 22 9.442 7.776 -4.635 1.00 0.00 N ATOM 338 CA PRO A 22 10.005 6.440 -4.724 1.00 0.00 C ATOM 339 C PRO A 22 10.053 5.938 -6.177 1.00 0.00 C ATOM 340 O PRO A 22 9.725 6.661 -7.117 1.00 0.00 O ATOM 341 CB PRO A 22 9.069 5.628 -3.841 1.00 0.00 C ATOM 342 CG PRO A 22 7.701 6.210 -4.178 1.00 0.00 C ATOM 343 CD PRO A 22 8.022 7.698 -4.302 1.00 0.00 C ATOM 0 HA PRO A 22 11.044 6.376 -4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.122 4.563 -4.066 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.309 5.743 -2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.298 5.799 -5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.968 6.013 -3.396 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.413 8.165 -5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.810 8.222 -3.370 1.00 0.00 H new ATOM 351 N ASN A 23 10.394 4.659 -6.364 1.00 0.00 N ATOM 352 CA ASN A 23 10.385 3.967 -7.652 1.00 0.00 C ATOM 353 C ASN A 23 9.815 2.559 -7.450 1.00 0.00 C ATOM 354 O ASN A 23 9.742 2.075 -6.321 1.00 0.00 O ATOM 355 CB ASN A 23 11.797 3.897 -8.257 1.00 0.00 C ATOM 356 CG ASN A 23 12.665 2.907 -7.495 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.547 1.703 -7.688 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.490 3.389 -6.584 1.00 0.00 N ATOM 0 H ASN A 23 10.694 4.059 -5.596 1.00 0.00 H new ATOM 0 HA ASN A 23 9.761 4.522 -8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.734 3.601 -9.304 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.257 4.885 -8.232 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.052 2.754 -6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.566 4.397 -6.447 1.00 0.00 H new ATOM 365 N GLU A 24 9.351 1.956 -8.548 1.00 0.00 N ATOM 366 CA GLU A 24 8.659 0.668 -8.636 1.00 0.00 C ATOM 367 C GLU A 24 9.247 -0.441 -7.753 1.00 0.00 C ATOM 368 O GLU A 24 8.479 -1.163 -7.108 1.00 0.00 O ATOM 369 CB GLU A 24 8.643 0.270 -10.123 1.00 0.00 C ATOM 370 CG GLU A 24 8.021 -1.098 -10.473 1.00 0.00 C ATOM 371 CD GLU A 24 6.492 -1.086 -10.577 1.00 0.00 C ATOM 372 OE1 GLU A 24 5.815 -0.261 -9.919 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.934 -1.844 -11.396 1.00 0.00 O ATOM 0 H GLU A 24 9.457 2.388 -9.466 1.00 0.00 H new ATOM 0 HA GLU A 24 7.650 0.790 -8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.102 1.039 -10.674 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.670 0.279 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.436 -1.441 -11.421 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.317 -1.823 -9.715 1.00 0.00 H new ATOM 380 N ASP A 25 10.577 -0.561 -7.677 1.00 0.00 N ATOM 381 CA ASP A 25 11.216 -1.562 -6.826 1.00 0.00 C ATOM 382 C ASP A 25 11.039 -1.175 -5.373 1.00 0.00 C ATOM 383 O ASP A 25 10.456 -1.927 -4.598 1.00 0.00 O ATOM 384 CB ASP A 25 12.714 -1.733 -7.106 1.00 0.00 C ATOM 385 CG ASP A 25 13.322 -2.582 -5.980 1.00 0.00 C ATOM 386 OD1 ASP A 25 13.104 -3.810 -5.992 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.899 -1.972 -5.048 1.00 0.00 O ATOM 0 H ASP A 25 11.230 0.025 -8.197 1.00 0.00 H new ATOM 0 HA ASP A 25 10.732 -2.513 -7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.867 -2.217 -8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.204 -0.761 -7.155 1.00 0.00 H new ATOM 392 N THR A 26 11.501 0.018 -5.010 1.00 0.00 N ATOM 393 CA THR A 26 11.522 0.463 -3.631 1.00 0.00 C ATOM 394 C THR A 26 10.109 0.438 -3.028 1.00 0.00 C ATOM 395 O THR A 26 9.957 0.061 -1.868 1.00 0.00 O ATOM 396 CB THR A 26 12.249 1.812 -3.572 1.00 0.00 C ATOM 397 OG1 THR A 26 13.469 1.702 -4.292 1.00 0.00 O ATOM 398 CG2 THR A 26 12.629 2.219 -2.147 1.00 0.00 C ATOM 0 H THR A 26 11.871 0.701 -5.670 1.00 0.00 H new ATOM 0 HA THR A 26 12.085 -0.218 -2.993 1.00 0.00 H new ATOM 0 HB THR A 26 11.568 2.555 -3.987 1.00 0.00 H new ATOM 0 HG1 THR A 26 14.080 2.415 -4.011 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.140 3.181 -2.168 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.728 2.300 -1.539 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.290 1.466 -1.718 1.00 0.00 H new ATOM 406 N VAL A 27 9.060 0.744 -3.801 1.00 0.00 N ATOM 407 CA VAL A 27 7.683 0.609 -3.326 1.00 0.00 C ATOM 408 C VAL A 27 7.340 -0.878 -3.140 1.00 0.00 C ATOM 409 O VAL A 27 6.730 -1.238 -2.132 1.00 0.00 O ATOM 410 CB VAL A 27 6.686 1.306 -4.275 1.00 0.00 C ATOM 411 CG1 VAL A 27 5.262 1.244 -3.702 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.996 2.794 -4.474 1.00 0.00 C ATOM 0 H VAL A 27 9.142 1.087 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 27 7.598 1.108 -2.361 1.00 0.00 H new ATOM 0 HB VAL A 27 6.773 0.777 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.573 1.741 -4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.964 0.203 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.237 1.745 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.262 3.231 -5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.954 3.306 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.993 2.904 -4.900 1.00 0.00 H new ATOM 422 N THR A 28 7.709 -1.748 -4.082 1.00 0.00 N ATOM 423 CA THR A 28 7.475 -3.187 -4.013 1.00 0.00 C ATOM 424 C THR A 28 8.154 -3.812 -2.783 1.00 0.00 C ATOM 425 O THR A 28 7.488 -4.540 -2.033 1.00 0.00 O ATOM 426 CB THR A 28 7.903 -3.827 -5.348 1.00 0.00 C ATOM 427 OG1 THR A 28 7.052 -3.330 -6.363 1.00 0.00 O ATOM 428 CG2 THR A 28 7.809 -5.355 -5.347 1.00 0.00 C ATOM 0 H THR A 28 8.191 -1.462 -4.934 1.00 0.00 H new ATOM 0 HA THR A 28 6.412 -3.385 -3.876 1.00 0.00 H new ATOM 0 HB THR A 28 8.949 -3.570 -5.514 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.504 -2.604 -6.842 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.125 -5.740 -6.317 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.456 -5.759 -4.568 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.779 -5.656 -5.155 1.00 0.00 H new ATOM 436 N GLN A 29 9.432 -3.519 -2.519 1.00 0.00 N ATOM 437 CA GLN A 29 10.103 -4.072 -1.349 1.00 0.00 C ATOM 438 C GLN A 29 9.493 -3.452 -0.091 1.00 0.00 C ATOM 439 O GLN A 29 9.040 -4.207 0.777 1.00 0.00 O ATOM 440 CB GLN A 29 11.639 -3.957 -1.410 1.00 0.00 C ATOM 441 CG GLN A 29 12.226 -2.583 -1.752 1.00 0.00 C ATOM 442 CD GLN A 29 13.712 -2.503 -1.416 1.00 0.00 C ATOM 443 OE1 GLN A 29 14.083 -2.519 -0.248 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.585 -2.390 -2.401 1.00 0.00 N ATOM 0 H GLN A 29 10.012 -2.909 -3.095 1.00 0.00 H new ATOM 0 HA GLN A 29 9.931 -5.148 -1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.039 -4.264 -0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.002 -4.673 -2.148 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.082 -2.380 -2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.687 -1.811 -1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.263 -2.378 -3.369 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.581 -2.315 -2.194 1.00 0.00 H new ATOM 453 N ALA A 30 9.331 -2.121 -0.035 1.00 0.00 N ATOM 454 CA ALA A 30 8.734 -1.437 1.106 1.00 0.00 C ATOM 455 C ALA A 30 7.352 -2.001 1.421 1.00 0.00 C ATOM 456 O ALA A 30 7.010 -2.092 2.591 1.00 0.00 O ATOM 457 CB ALA A 30 8.668 0.078 0.887 1.00 0.00 C ATOM 0 H ALA A 30 9.614 -1.493 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 30 9.379 -1.616 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.217 0.552 1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.675 0.469 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.065 0.292 0.005 1.00 0.00 H new ATOM 463 N ALA A 31 6.568 -2.423 0.426 1.00 0.00 N ATOM 464 CA ALA A 31 5.287 -3.100 0.592 1.00 0.00 C ATOM 465 C ALA A 31 5.484 -4.485 1.221 1.00 0.00 C ATOM 466 O ALA A 31 4.732 -4.873 2.113 1.00 0.00 O ATOM 467 CB ALA A 31 4.569 -3.238 -0.755 1.00 0.00 C ATOM 0 H ALA A 31 6.821 -2.296 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 31 4.671 -2.495 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.616 -3.746 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.392 -2.248 -1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.188 -3.818 -1.439 1.00 0.00 H new ATOM 473 N SER A 32 6.410 -5.313 0.737 1.00 0.00 N ATOM 474 CA SER A 32 6.652 -6.602 1.390 1.00 0.00 C ATOM 475 C SER A 32 6.967 -6.434 2.882 1.00 0.00 C ATOM 476 O SER A 32 6.506 -7.249 3.697 1.00 0.00 O ATOM 477 CB SER A 32 7.697 -7.398 0.596 1.00 0.00 C ATOM 478 OG SER A 32 9.024 -6.976 0.819 1.00 0.00 O ATOM 0 H SER A 32 6.990 -5.124 -0.080 1.00 0.00 H new ATOM 0 HA SER A 32 5.739 -7.198 1.378 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.612 -8.453 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.473 -7.314 -0.467 1.00 0.00 H new ATOM 0 HG SER A 32 9.059 -5.997 0.824 1.00 0.00 H new ATOM 484 N GLN A 33 7.596 -5.315 3.258 1.00 0.00 N ATOM 485 CA GLN A 33 7.831 -4.976 4.647 1.00 0.00 C ATOM 486 C GLN A 33 6.646 -4.183 5.214 1.00 0.00 C ATOM 487 O GLN A 33 6.505 -4.194 6.430 1.00 0.00 O ATOM 488 CB GLN A 33 9.160 -4.215 4.820 1.00 0.00 C ATOM 489 CG GLN A 33 10.404 -5.120 4.845 1.00 0.00 C ATOM 490 CD GLN A 33 10.618 -5.855 3.531 1.00 0.00 C ATOM 491 OE1 GLN A 33 11.021 -5.268 2.544 1.00 0.00 O ATOM 492 NE2 GLN A 33 10.299 -7.138 3.467 1.00 0.00 N ATOM 0 H GLN A 33 7.953 -4.624 2.598 1.00 0.00 H new ATOM 0 HA GLN A 33 7.917 -5.902 5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.263 -3.496 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.121 -3.644 5.747 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.284 -4.516 5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.304 -5.846 5.652 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.962 -7.622 4.299 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.390 -7.643 2.585 1.00 0.00 H new ATOM 501 N VAL A 34 5.765 -3.548 4.426 1.00 0.00 N ATOM 502 CA VAL A 34 4.607 -2.811 4.942 1.00 0.00 C ATOM 503 C VAL A 34 3.726 -3.802 5.680 1.00 0.00 C ATOM 504 O VAL A 34 3.232 -3.528 6.771 1.00 0.00 O ATOM 505 CB VAL A 34 3.795 -2.014 3.894 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.725 -2.682 3.008 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.108 -0.861 4.584 1.00 0.00 C ATOM 0 H VAL A 34 5.838 -3.533 3.409 1.00 0.00 H new ATOM 0 HA VAL A 34 4.991 -2.033 5.602 1.00 0.00 H new ATOM 0 HB VAL A 34 4.588 -1.780 3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.283 -1.936 2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.186 -3.468 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.948 -3.114 3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.532 -0.291 3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.439 -1.244 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.856 -0.213 5.042 1.00 0.00 H new ATOM 517 N CYS A 35 3.594 -4.998 5.104 1.00 0.00 N ATOM 518 CA CYS A 35 2.872 -6.092 5.700 1.00 0.00 C ATOM 519 C CYS A 35 3.658 -6.562 6.922 1.00 0.00 C ATOM 520 O CYS A 35 3.032 -6.891 7.929 1.00 0.00 O ATOM 521 CB CYS A 35 2.617 -7.193 4.672 1.00 0.00 C ATOM 522 SG CYS A 35 1.756 -6.686 3.144 1.00 0.00 S ATOM 0 H CYS A 35 3.998 -5.224 4.195 1.00 0.00 H new ATOM 0 HA CYS A 35 1.883 -5.779 6.034 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.576 -7.632 4.395 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.032 -7.979 5.150 1.00 0.00 H new ATOM 527 N ASP A 36 4.978 -6.787 6.824 1.00 0.00 N ATOM 528 CA ASP A 36 5.721 -7.092 8.063 1.00 0.00 C ATOM 529 C ASP A 36 5.502 -6.070 9.210 1.00 0.00 C ATOM 530 O ASP A 36 5.157 -6.451 10.335 1.00 0.00 O ATOM 531 CB ASP A 36 7.216 -7.393 7.898 1.00 0.00 C ATOM 532 CG ASP A 36 7.656 -8.176 9.150 1.00 0.00 C ATOM 533 OD1 ASP A 36 7.733 -7.602 10.263 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.577 -9.424 9.091 1.00 0.00 O ATOM 0 H ASP A 36 5.526 -6.767 5.964 1.00 0.00 H new ATOM 0 HA ASP A 36 5.256 -8.034 8.355 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.395 -7.977 6.995 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.787 -6.470 7.799 1.00 0.00 H new ATOM 539 N LYS A 37 5.553 -4.765 8.920 1.00 0.00 N ATOM 540 CA LYS A 37 5.512 -3.669 9.898 1.00 0.00 C ATOM 541 C LYS A 37 4.086 -3.585 10.422 1.00 0.00 C ATOM 542 O LYS A 37 3.902 -3.469 11.632 1.00 0.00 O ATOM 543 CB LYS A 37 5.980 -2.366 9.194 1.00 0.00 C ATOM 544 CG LYS A 37 6.381 -1.168 10.094 1.00 0.00 C ATOM 545 CD LYS A 37 6.925 -0.005 9.225 1.00 0.00 C ATOM 546 CE LYS A 37 7.573 1.184 9.959 1.00 0.00 C ATOM 547 NZ LYS A 37 7.920 2.339 9.075 1.00 0.00 N ATOM 0 H LYS A 37 5.627 -4.429 7.960 1.00 0.00 H new ATOM 0 HA LYS A 37 6.178 -3.831 10.746 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.834 -2.613 8.563 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.180 -2.036 8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.518 -0.830 10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.139 -1.481 10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.661 -0.416 8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.102 0.379 8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.893 1.529 10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.479 0.838 10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.223 3.144 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.692 2.066 8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.086 2.611 8.516 1.00 0.00 H new ATOM 561 N LEU A 38 3.080 -3.668 9.556 1.00 0.00 N ATOM 562 CA LEU A 38 1.691 -3.746 9.966 1.00 0.00 C ATOM 563 C LEU A 38 1.420 -5.204 10.333 1.00 0.00 C ATOM 564 O LEU A 38 0.776 -5.933 9.572 1.00 0.00 O ATOM 565 CB LEU A 38 0.726 -3.260 8.873 1.00 0.00 C ATOM 566 CG LEU A 38 0.793 -1.754 8.583 1.00 0.00 C ATOM 567 CD1 LEU A 38 -0.212 -1.451 7.475 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.453 -0.895 9.810 1.00 0.00 C ATOM 0 H LEU A 38 3.212 -3.683 8.545 1.00 0.00 H new ATOM 0 HA LEU A 38 1.519 -3.086 10.817 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.938 -3.803 7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.292 -3.515 9.167 1.00 0.00 H new ATOM 0 HG LEU A 38 1.814 -1.507 8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.189 -0.386 7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.047 -2.021 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.213 -1.729 7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.517 0.160 9.544 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.558 -1.124 10.146 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.159 -1.111 10.612 1.00 0.00 H new ATOM 580 N LYS A 39 1.822 -5.629 11.536 1.00 0.00 N ATOM 581 CA LYS A 39 1.464 -6.973 11.989 1.00 0.00 C ATOM 582 C LYS A 39 0.000 -6.896 12.439 1.00 0.00 C ATOM 583 O LYS A 39 -0.559 -5.803 12.523 1.00 0.00 O ATOM 584 CB LYS A 39 2.533 -7.638 12.883 1.00 0.00 C ATOM 585 CG LYS A 39 3.126 -6.831 14.056 1.00 0.00 C ATOM 586 CD LYS A 39 4.475 -6.176 13.672 1.00 0.00 C ATOM 587 CE LYS A 39 5.643 -7.177 13.506 1.00 0.00 C ATOM 588 NZ LYS A 39 6.747 -6.646 12.662 1.00 0.00 N ATOM 0 H LYS A 39 2.377 -5.081 12.193 1.00 0.00 H new ATOM 0 HA LYS A 39 1.489 -7.726 11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.099 -8.549 13.295 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.359 -7.941 12.240 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.420 -6.059 14.361 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.271 -7.488 14.914 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.347 -5.627 12.739 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.742 -5.447 14.437 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.036 -7.435 14.489 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.265 -8.098 13.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.658 -6.995 13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.618 -6.965 11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.738 -5.606 12.692 1.00 0.00 H new ATOM 602 N ILE A 40 -0.654 -8.051 12.601 1.00 0.00 N ATOM 603 CA ILE A 40 -2.092 -8.224 12.874 1.00 0.00 C ATOM 604 C ILE A 40 -2.719 -8.086 11.477 1.00 0.00 C ATOM 605 O ILE A 40 -3.173 -9.071 10.899 1.00 0.00 O ATOM 606 CB ILE A 40 -2.721 -7.286 13.951 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.133 -7.644 15.334 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.264 -7.365 13.941 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.491 -6.644 16.439 1.00 0.00 C ATOM 0 H ILE A 40 -0.168 -8.946 12.542 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.288 -9.183 13.353 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.469 -6.251 13.718 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.488 -8.633 15.624 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.048 -7.706 15.251 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.667 -6.699 14.704 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.637 -7.064 12.962 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.577 -8.388 14.150 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.042 -6.964 17.379 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.112 -5.657 16.173 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.574 -6.598 16.551 1.00 0.00 H new ATOM 621 N LEU A 41 -2.585 -6.922 10.832 1.00 0.00 N ATOM 622 CA LEU A 41 -3.193 -6.635 9.532 1.00 0.00 C ATOM 623 C LEU A 41 -2.336 -7.170 8.362 1.00 0.00 C ATOM 624 O LEU A 41 -2.668 -6.975 7.192 1.00 0.00 O ATOM 625 CB LEU A 41 -3.412 -5.112 9.449 1.00 0.00 C ATOM 626 CG LEU A 41 -4.466 -4.664 8.419 1.00 0.00 C ATOM 627 CD1 LEU A 41 -5.877 -5.151 8.781 1.00 0.00 C ATOM 628 CD2 LEU A 41 -4.483 -3.136 8.349 1.00 0.00 C ATOM 0 H LEU A 41 -2.043 -6.143 11.205 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.149 -7.150 9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.709 -4.748 10.433 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.462 -4.636 9.206 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.192 -5.101 7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.585 -4.810 8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.887 -6.240 8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.163 -4.749 9.753 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.228 -2.813 7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.734 -2.730 9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.500 -2.775 8.047 1.00 0.00 H new ATOM 640 N ARG A 42 -1.296 -7.956 8.663 1.00 0.00 N ATOM 641 CA ARG A 42 -0.372 -8.600 7.725 1.00 0.00 C ATOM 642 C ARG A 42 -1.128 -9.510 6.767 1.00 0.00 C ATOM 643 O ARG A 42 -0.786 -9.538 5.585 1.00 0.00 O ATOM 644 CB ARG A 42 0.653 -9.384 8.563 1.00 0.00 C ATOM 645 CG ARG A 42 1.729 -10.117 7.745 1.00 0.00 C ATOM 646 CD ARG A 42 2.714 -10.873 8.652 1.00 0.00 C ATOM 647 NE ARG A 42 3.477 -9.963 9.524 1.00 0.00 N ATOM 648 CZ ARG A 42 4.739 -10.125 9.946 1.00 0.00 C ATOM 649 NH1 ARG A 42 5.463 -11.193 9.631 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.309 -9.172 10.663 1.00 0.00 N ATOM 0 H ARG A 42 -1.063 -8.173 9.632 1.00 0.00 H new ATOM 0 HA ARG A 42 0.139 -7.860 7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.145 -8.694 9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.121 -10.114 9.173 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.252 -10.819 7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.275 -9.398 7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.165 -11.587 9.266 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.405 -11.448 8.036 1.00 0.00 H new ATOM 0 HE ARG A 42 2.994 -9.122 9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.062 -11.927 9.048 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.420 -11.279 9.972 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.789 -8.324 10.890 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.269 -9.284 10.990 1.00 0.00 H new ATOM 664 N GLY A 43 -2.143 -10.227 7.255 1.00 0.00 N ATOM 665 CA GLY A 43 -2.987 -11.067 6.420 1.00 0.00 C ATOM 666 C GLY A 43 -3.702 -10.233 5.361 1.00 0.00 C ATOM 667 O GLY A 43 -3.622 -10.545 4.172 1.00 0.00 O ATOM 0 H GLY A 43 -2.398 -10.238 8.242 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.381 -11.834 5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.721 -11.583 7.039 1.00 0.00 H new ATOM 671 N LEU A 44 -4.388 -9.163 5.782 1.00 0.00 N ATOM 672 CA LEU A 44 -5.190 -8.343 4.885 1.00 0.00 C ATOM 673 C LEU A 44 -4.267 -7.676 3.869 1.00 0.00 C ATOM 674 O LEU A 44 -4.517 -7.792 2.676 1.00 0.00 O ATOM 675 CB LEU A 44 -6.062 -7.366 5.693 1.00 0.00 C ATOM 676 CG LEU A 44 -7.229 -6.777 4.869 1.00 0.00 C ATOM 677 CD1 LEU A 44 -8.419 -6.462 5.781 1.00 0.00 C ATOM 678 CD2 LEU A 44 -6.826 -5.497 4.134 1.00 0.00 C ATOM 0 H LEU A 44 -4.399 -8.848 6.752 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.894 -8.951 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.464 -7.882 6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.439 -6.552 6.063 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.505 -7.530 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.233 -6.048 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.755 -7.377 6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.116 -5.737 6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.677 -5.119 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.509 -4.746 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.004 -5.713 3.452 1.00 0.00 H new ATOM 690 N CYS A 45 -3.174 -7.054 4.324 1.00 0.00 N ATOM 691 CA CYS A 45 -2.124 -6.479 3.499 1.00 0.00 C ATOM 692 C CYS A 45 -1.667 -7.468 2.427 1.00 0.00 C ATOM 693 O CYS A 45 -1.751 -7.172 1.239 1.00 0.00 O ATOM 694 CB CYS A 45 -0.983 -6.057 4.435 1.00 0.00 C ATOM 695 SG CYS A 45 0.429 -5.224 3.676 1.00 0.00 S ATOM 0 H CYS A 45 -2.996 -6.936 5.321 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.488 -5.606 2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.396 -5.397 5.198 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.617 -6.947 4.947 1.00 0.00 H new ATOM 700 N LYS A 46 -1.232 -8.672 2.803 1.00 0.00 N ATOM 701 CA LYS A 46 -0.795 -9.652 1.811 1.00 0.00 C ATOM 702 C LYS A 46 -1.927 -10.016 0.842 1.00 0.00 C ATOM 703 O LYS A 46 -1.651 -10.169 -0.349 1.00 0.00 O ATOM 704 CB LYS A 46 -0.011 -10.805 2.463 1.00 0.00 C ATOM 705 CG LYS A 46 1.377 -10.233 2.828 1.00 0.00 C ATOM 706 CD LYS A 46 2.375 -11.176 3.509 1.00 0.00 C ATOM 707 CE LYS A 46 3.799 -10.614 3.289 1.00 0.00 C ATOM 708 NZ LYS A 46 4.895 -11.548 3.650 1.00 0.00 N ATOM 0 H LYS A 46 -1.174 -8.987 3.771 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.052 -9.208 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.526 -11.172 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.083 -11.647 1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.838 -9.859 1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.225 -9.375 3.482 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.158 -11.254 4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.294 -12.180 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.907 -10.335 2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.910 -9.701 3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.813 -11.092 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.822 -11.797 4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.820 -12.411 3.074 1.00 0.00 H new ATOM 722 N LYS A 47 -3.185 -10.141 1.287 1.00 0.00 N ATOM 723 CA LYS A 47 -4.307 -10.353 0.364 1.00 0.00 C ATOM 724 C LYS A 47 -4.465 -9.170 -0.602 1.00 0.00 C ATOM 725 O LYS A 47 -4.778 -9.417 -1.769 1.00 0.00 O ATOM 726 CB LYS A 47 -5.612 -10.661 1.129 1.00 0.00 C ATOM 727 CG LYS A 47 -6.774 -11.062 0.192 1.00 0.00 C ATOM 728 CD LYS A 47 -7.665 -9.886 -0.263 1.00 0.00 C ATOM 729 CE LYS A 47 -8.281 -10.105 -1.657 1.00 0.00 C ATOM 730 NZ LYS A 47 -9.242 -11.233 -1.713 1.00 0.00 N ATOM 0 H LYS A 47 -3.449 -10.099 2.271 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.081 -11.230 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.430 -11.467 1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.904 -9.785 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.360 -11.550 -0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.397 -11.798 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.465 -9.741 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.073 -8.971 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.788 -9.192 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.480 -10.285 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.617 -11.322 -2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.759 -12.114 -1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.026 -11.055 -1.053 1.00 0.00 H new ATOM 744 N ILE A 48 -4.295 -7.920 -0.151 1.00 0.00 N ATOM 745 CA ILE A 48 -4.326 -6.737 -1.014 1.00 0.00 C ATOM 746 C ILE A 48 -3.252 -6.927 -2.079 1.00 0.00 C ATOM 747 O ILE A 48 -3.586 -6.935 -3.255 1.00 0.00 O ATOM 748 CB ILE A 48 -4.159 -5.410 -0.224 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.332 -5.139 0.742 1.00 0.00 C ATOM 750 CG2 ILE A 48 -3.939 -4.189 -1.137 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.648 -4.684 0.105 1.00 0.00 C ATOM 0 H ILE A 48 -4.131 -7.702 0.832 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.306 -6.645 -1.483 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.255 -5.552 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.524 -6.049 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.017 -4.378 1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.829 -3.293 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.037 -4.336 -1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.795 -4.073 -1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.394 -4.526 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.487 -3.752 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.001 -5.449 -0.586 1.00 0.00 H new ATOM 763 N MET A 49 -1.994 -7.150 -1.697 1.00 0.00 N ATOM 764 CA MET A 49 -0.887 -7.284 -2.637 1.00 0.00 C ATOM 765 C MET A 49 -1.154 -8.443 -3.604 1.00 0.00 C ATOM 766 O MET A 49 -1.021 -8.245 -4.803 1.00 0.00 O ATOM 767 CB MET A 49 0.436 -7.418 -1.866 1.00 0.00 C ATOM 768 CG MET A 49 0.971 -6.053 -1.390 1.00 0.00 C ATOM 769 SD MET A 49 -0.154 -5.014 -0.406 1.00 0.00 S ATOM 770 CE MET A 49 0.896 -3.581 -0.072 1.00 0.00 C ATOM 0 H MET A 49 -1.716 -7.243 -0.720 1.00 0.00 H new ATOM 0 HA MET A 49 -0.801 -6.388 -3.252 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.289 -8.069 -1.005 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.180 -7.896 -2.504 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.870 -6.230 -0.800 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.274 -5.484 -2.269 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.289 -2.772 0.334 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.666 -3.854 0.650 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.368 -3.252 -0.998 1.00 0.00 H new ATOM 780 N ARG A 50 -1.639 -9.614 -3.171 1.00 0.00 N ATOM 781 CA ARG A 50 -1.966 -10.703 -4.111 1.00 0.00 C ATOM 782 C ARG A 50 -2.928 -10.256 -5.212 1.00 0.00 C ATOM 783 O ARG A 50 -2.843 -10.740 -6.336 1.00 0.00 O ATOM 784 CB ARG A 50 -2.577 -11.889 -3.351 1.00 0.00 C ATOM 785 CG ARG A 50 -2.867 -13.139 -4.216 1.00 0.00 C ATOM 786 CD ARG A 50 -1.651 -13.731 -4.954 1.00 0.00 C ATOM 787 NE ARG A 50 -2.061 -14.617 -6.065 1.00 0.00 N ATOM 788 CZ ARG A 50 -1.811 -15.927 -6.232 1.00 0.00 C ATOM 789 NH1 ARG A 50 -1.171 -16.631 -5.299 1.00 0.00 N ATOM 790 NH2 ARG A 50 -2.211 -16.535 -7.348 1.00 0.00 N ATOM 0 H ARG A 50 -1.813 -9.834 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.033 -11.002 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.900 -12.172 -2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.508 -11.563 -2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.293 -13.912 -3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.627 -12.881 -4.953 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.033 -12.922 -5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.036 -14.292 -4.250 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.607 -14.174 -6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.862 -16.176 -4.440 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.991 -17.624 -5.444 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.703 -16.007 -8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.025 -17.529 -7.482 1.00 0.00 H new ATOM 804 N SER A 51 -3.868 -9.397 -4.846 1.00 0.00 N ATOM 805 CA SER A 51 -4.944 -8.912 -5.699 1.00 0.00 C ATOM 806 C SER A 51 -4.614 -7.594 -6.430 1.00 0.00 C ATOM 807 O SER A 51 -5.288 -7.267 -7.410 1.00 0.00 O ATOM 808 CB SER A 51 -6.158 -8.734 -4.774 1.00 0.00 C ATOM 809 OG SER A 51 -7.389 -8.704 -5.461 1.00 0.00 O ATOM 0 H SER A 51 -3.903 -9.002 -3.906 1.00 0.00 H new ATOM 0 HA SER A 51 -5.127 -9.627 -6.501 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.175 -9.548 -4.049 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.043 -7.808 -4.211 1.00 0.00 H new ATOM 0 HG SER A 51 -8.120 -8.590 -4.818 1.00 0.00 H new ATOM 815 N PHE A 52 -3.605 -6.831 -5.994 1.00 0.00 N ATOM 816 CA PHE A 52 -3.290 -5.502 -6.514 1.00 0.00 C ATOM 817 C PHE A 52 -1.808 -5.131 -6.309 1.00 0.00 C ATOM 818 O PHE A 52 -1.531 -3.956 -6.116 1.00 0.00 O ATOM 819 CB PHE A 52 -4.161 -4.467 -5.736 1.00 0.00 C ATOM 820 CG PHE A 52 -5.667 -4.664 -5.625 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.528 -4.230 -6.651 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.224 -5.158 -4.429 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.923 -4.314 -6.495 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.618 -5.245 -4.270 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.469 -4.821 -5.304 1.00 0.00 C ATOM 0 H PHE A 52 -2.972 -7.131 -5.252 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.494 -5.496 -7.585 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.767 -4.410 -4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.995 -3.493 -6.197 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.114 -3.830 -7.565 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.574 -5.473 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.575 -3.988 -7.292 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.034 -5.637 -3.354 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.540 -4.885 -5.184 1.00 0.00 H new ATOM 835 N LEU A 53 -0.824 -6.027 -6.458 1.00 0.00 N ATOM 836 CA LEU A 53 0.574 -5.710 -6.115 1.00 0.00 C ATOM 837 C LEU A 53 1.102 -4.509 -6.908 1.00 0.00 C ATOM 838 O LEU A 53 1.351 -3.454 -6.327 1.00 0.00 O ATOM 839 CB LEU A 53 1.472 -6.950 -6.310 1.00 0.00 C ATOM 840 CG LEU A 53 2.787 -6.895 -5.507 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.506 -8.237 -5.664 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.732 -5.755 -5.878 1.00 0.00 C ATOM 0 H LEU A 53 -0.966 -6.973 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 53 0.601 -5.428 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.915 -7.840 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.707 -7.054 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 53 2.505 -6.697 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.440 -8.217 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.871 -9.037 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.720 -8.414 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.626 -5.806 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.014 -5.843 -6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.232 -4.800 -5.716 1.00 0.00 H new ATOM 854 N ARG A 54 1.219 -4.629 -8.236 1.00 0.00 N ATOM 855 CA ARG A 54 1.779 -3.548 -9.062 1.00 0.00 C ATOM 856 C ARG A 54 0.847 -2.331 -8.984 1.00 0.00 C ATOM 857 O ARG A 54 1.277 -1.197 -9.155 1.00 0.00 O ATOM 858 CB ARG A 54 1.978 -4.052 -10.509 1.00 0.00 C ATOM 859 CG ARG A 54 2.992 -3.297 -11.399 1.00 0.00 C ATOM 860 CD ARG A 54 2.749 -1.799 -11.653 1.00 0.00 C ATOM 861 NE ARG A 54 3.382 -1.340 -12.907 1.00 0.00 N ATOM 862 CZ ARG A 54 4.087 -0.210 -13.089 1.00 0.00 C ATOM 863 NH1 ARG A 54 4.373 0.606 -12.080 1.00 0.00 N ATOM 864 NH2 ARG A 54 4.476 0.122 -14.321 1.00 0.00 N ATOM 0 H ARG A 54 0.936 -5.457 -8.760 1.00 0.00 H new ATOM 0 HA ARG A 54 2.758 -3.243 -8.693 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.286 -5.096 -10.461 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.010 -4.028 -11.009 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.978 -3.404 -10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.028 -3.799 -12.366 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.677 -1.608 -11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.141 -1.221 -10.816 1.00 0.00 H new ATOM 0 HE ARG A 54 3.272 -1.945 -13.721 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.056 0.382 -11.137 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.910 1.457 -12.249 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.238 -0.479 -15.110 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.011 0.977 -14.474 1.00 0.00 H new ATOM 878 N ARG A 55 -0.444 -2.540 -8.693 1.00 0.00 N ATOM 879 CA ARG A 55 -1.373 -1.458 -8.475 1.00 0.00 C ATOM 880 C ARG A 55 -0.988 -0.641 -7.239 1.00 0.00 C ATOM 881 O ARG A 55 -0.954 0.579 -7.335 1.00 0.00 O ATOM 882 CB ARG A 55 -2.806 -1.973 -8.429 1.00 0.00 C ATOM 883 CG ARG A 55 -3.378 -2.178 -9.837 1.00 0.00 C ATOM 884 CD ARG A 55 -4.734 -2.853 -9.704 1.00 0.00 C ATOM 885 NE ARG A 55 -5.393 -3.081 -11.003 1.00 0.00 N ATOM 886 CZ ARG A 55 -6.145 -4.137 -11.357 1.00 0.00 C ATOM 887 NH1 ARG A 55 -6.316 -5.176 -10.535 1.00 0.00 N ATOM 888 NH2 ARG A 55 -6.733 -4.150 -12.552 1.00 0.00 N ATOM 0 H ARG A 55 -0.859 -3.468 -8.605 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.317 -0.774 -9.322 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.837 -2.915 -7.882 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.430 -1.266 -7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.478 -1.221 -10.350 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.705 -2.792 -10.435 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.610 -3.808 -9.193 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.380 -2.238 -9.078 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.264 -2.358 -11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.871 -5.179 -9.617 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.891 -5.967 -10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.611 -3.363 -13.189 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.306 -4.947 -12.830 1.00 0.00 H new ATOM 902 N ILE A 56 -0.677 -1.265 -6.100 1.00 0.00 N ATOM 903 CA ILE A 56 -0.258 -0.511 -4.920 1.00 0.00 C ATOM 904 C ILE A 56 1.020 0.276 -5.246 1.00 0.00 C ATOM 905 O ILE A 56 1.181 1.383 -4.736 1.00 0.00 O ATOM 906 CB ILE A 56 -0.141 -1.406 -3.664 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.438 -2.187 -3.326 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.244 -0.552 -2.444 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.767 -1.492 -3.664 1.00 0.00 C ATOM 0 H ILE A 56 -0.707 -2.276 -5.972 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.031 0.213 -4.662 1.00 0.00 H new ATOM 0 HB ILE A 56 0.630 -2.141 -3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.409 -3.141 -3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.432 -2.412 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.324 -1.190 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.202 -0.066 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.521 0.206 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.598 -2.138 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.835 -0.552 -3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.811 -1.292 -4.735 1.00 0.00 H new ATOM 921 N SER A 57 1.843 -0.215 -6.178 1.00 0.00 N ATOM 922 CA SER A 57 3.013 0.518 -6.613 1.00 0.00 C ATOM 923 C SER A 57 2.560 1.762 -7.383 1.00 0.00 C ATOM 924 O SER A 57 2.858 2.861 -6.932 1.00 0.00 O ATOM 925 CB SER A 57 3.949 -0.388 -7.413 1.00 0.00 C ATOM 926 OG SER A 57 5.210 0.218 -7.495 1.00 0.00 O ATOM 0 H SER A 57 1.712 -1.116 -6.639 1.00 0.00 H new ATOM 0 HA SER A 57 3.594 0.857 -5.755 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.030 -1.363 -6.933 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.547 -0.557 -8.412 1.00 0.00 H new ATOM 0 HG SER A 57 5.395 0.464 -8.425 1.00 0.00 H new ATOM 932 N TRP A 58 1.755 1.637 -8.451 1.00 0.00 N ATOM 933 CA TRP A 58 1.169 2.777 -9.177 1.00 0.00 C ATOM 934 C TRP A 58 0.584 3.809 -8.213 1.00 0.00 C ATOM 935 O TRP A 58 0.838 5.006 -8.348 1.00 0.00 O ATOM 936 CB TRP A 58 0.101 2.287 -10.181 1.00 0.00 C ATOM 937 CG TRP A 58 -1.176 3.086 -10.338 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.292 4.370 -10.750 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.548 2.660 -10.074 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.627 4.726 -10.833 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.456 3.676 -10.491 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.119 1.513 -9.501 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.853 3.498 -10.432 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.500 1.335 -9.391 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.374 2.318 -9.864 1.00 0.00 C ATOM 0 H TRP A 58 1.490 0.732 -8.839 1.00 0.00 H new ATOM 0 HA TRP A 58 1.966 3.267 -9.736 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.574 2.225 -11.161 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.178 1.272 -9.897 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.463 5.022 -10.981 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.958 5.650 -11.112 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.465 0.738 -9.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.517 4.257 -10.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.893 0.436 -8.940 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.442 2.174 -9.795 1.00 0.00 H new ATOM 956 N ASP A 59 -0.230 3.340 -7.273 1.00 0.00 N ATOM 957 CA ASP A 59 -0.887 4.138 -6.256 1.00 0.00 C ATOM 958 C ASP A 59 0.095 5.038 -5.501 1.00 0.00 C ATOM 959 O ASP A 59 -0.080 6.257 -5.509 1.00 0.00 O ATOM 960 CB ASP A 59 -1.733 3.221 -5.358 1.00 0.00 C ATOM 961 CG ASP A 59 -3.021 2.779 -6.056 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.649 3.599 -6.752 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.560 1.543 -5.927 1.00 0.00 O ATOM 0 H ASP A 59 -0.457 2.348 -7.200 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.572 4.842 -6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.149 2.343 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.980 3.744 -4.434 1.00 0.00 H new ATOM 969 N ILE A 60 1.096 4.466 -4.826 1.00 0.00 N ATOM 970 CA ILE A 60 2.159 5.234 -4.174 1.00 0.00 C ATOM 971 C ILE A 60 2.978 6.072 -5.173 1.00 0.00 C ATOM 972 O ILE A 60 3.283 7.219 -4.867 1.00 0.00 O ATOM 973 CB ILE A 60 2.996 4.323 -3.241 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.341 4.097 -1.858 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.412 4.845 -2.972 1.00 0.00 C ATOM 976 CD1 ILE A 60 0.982 3.400 -1.852 1.00 0.00 C ATOM 0 H ILE A 60 1.192 3.456 -4.716 1.00 0.00 H new ATOM 0 HA ILE A 60 1.703 5.982 -3.526 1.00 0.00 H new ATOM 0 HB ILE A 60 3.044 3.388 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.028 3.511 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.229 5.066 -1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.935 4.154 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.954 4.928 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.355 5.825 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.629 3.300 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.268 3.990 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.078 2.411 -2.300 1.00 0.00 H new ATOM 988 N LEU A 61 3.341 5.542 -6.347 1.00 0.00 N ATOM 989 CA LEU A 61 4.183 6.230 -7.336 1.00 0.00 C ATOM 990 C LEU A 61 3.530 7.525 -7.815 1.00 0.00 C ATOM 991 O LEU A 61 4.209 8.531 -7.982 1.00 0.00 O ATOM 992 CB LEU A 61 4.456 5.333 -8.559 1.00 0.00 C ATOM 993 CG LEU A 61 5.434 4.169 -8.316 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.340 3.168 -9.475 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.888 4.629 -8.207 1.00 0.00 C ATOM 0 H LEU A 61 3.054 4.609 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 61 5.125 6.461 -6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.508 4.923 -8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.849 5.954 -9.364 1.00 0.00 H new ATOM 0 HG LEU A 61 5.147 3.714 -7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.033 2.345 -9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.324 2.780 -9.539 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.597 3.668 -10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.531 3.766 -8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.183 5.124 -9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.988 5.326 -7.375 1.00 0.00 H new ATOM 1007 N THR A 62 2.213 7.518 -8.025 1.00 0.00 N ATOM 1008 CA THR A 62 1.445 8.710 -8.387 1.00 0.00 C ATOM 1009 C THR A 62 1.141 9.591 -7.161 1.00 0.00 C ATOM 1010 O THR A 62 0.347 10.525 -7.262 1.00 0.00 O ATOM 1011 CB THR A 62 0.171 8.299 -9.161 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.590 7.282 -8.523 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.527 7.791 -10.563 1.00 0.00 C ATOM 0 H THR A 62 1.643 6.675 -7.948 1.00 0.00 H new ATOM 0 HA THR A 62 2.050 9.330 -9.049 1.00 0.00 H new ATOM 0 HB THR A 62 -0.433 9.205 -9.202 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.203 6.406 -8.730 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.384 7.507 -11.090 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.036 8.580 -11.117 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.183 6.924 -10.480 1.00 0.00 H new ATOM 1021 N GLY A 63 1.749 9.293 -6.005 1.00 0.00 N ATOM 1022 CA GLY A 63 1.524 9.894 -4.698 1.00 0.00 C ATOM 1023 C GLY A 63 0.038 10.123 -4.476 1.00 0.00 C ATOM 1024 O GLY A 63 -0.367 11.122 -3.866 1.00 0.00 O ATOM 0 H GLY A 63 2.465 8.568 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.920 9.244 -3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.060 10.840 -4.627 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.780 9.099 -4.745 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.215 9.294 -4.695 1.00 0.00 C ATOM 1030 C LYS A 64 -2.583 9.025 -3.249 1.00 0.00 C ATOM 1031 O LYS A 64 -1.958 8.236 -2.542 1.00 0.00 O ATOM 1032 CB LYS A 64 -2.846 8.347 -5.730 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.355 8.552 -5.941 1.00 0.00 C ATOM 1034 CD LYS A 64 -4.857 7.836 -7.209 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.479 6.350 -7.203 1.00 0.00 C ATOM 1036 NZ LYS A 64 -5.066 5.582 -8.313 1.00 0.00 N ATOM 0 H LYS A 64 -0.476 8.157 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.576 10.288 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.337 8.480 -6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.672 7.318 -5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.898 8.178 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.570 9.618 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.940 7.937 -7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.434 8.317 -8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.394 6.261 -7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.798 5.908 -6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.328 4.633 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.914 6.072 -8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.371 5.498 -9.082 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.542 9.794 -2.750 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.873 9.724 -1.332 1.00 0.00 C ATOM 1052 C LYS A 65 -4.599 8.416 -0.990 1.00 0.00 C ATOM 1053 O LYS A 65 -5.303 7.875 -1.838 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.531 11.055 -0.924 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.564 12.257 -1.104 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.482 12.486 -0.023 1.00 0.00 C ATOM 1057 CE LYS A 65 -1.412 11.404 0.236 1.00 0.00 C ATOM 1058 NZ LYS A 65 -0.463 11.135 -0.872 1.00 0.00 N ATOM 0 H LYS A 65 -4.094 10.460 -3.291 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.991 9.645 -0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.427 11.216 -1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.850 10.998 0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.059 12.139 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.166 13.163 -1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.957 13.407 -0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.998 12.665 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.837 11.696 1.115 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.921 10.472 0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.152 10.336 -0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.994 10.901 -1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.120 11.979 -1.042 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.586 7.978 0.280 1.00 0.00 N ATOM 1073 CA PRO A 66 -5.117 6.691 0.713 1.00 0.00 C ATOM 1074 C PRO A 66 -6.616 6.557 0.516 1.00 0.00 C ATOM 1075 O PRO A 66 -7.056 5.608 -0.122 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.722 6.547 2.187 1.00 0.00 C ATOM 1077 CG PRO A 66 -4.487 7.988 2.631 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.867 8.585 1.377 1.00 0.00 C ATOM 0 HA PRO A 66 -4.699 5.891 0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.510 6.070 2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.825 5.938 2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.414 8.489 2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.819 8.050 3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.970 9.670 1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.801 8.365 1.320 1.00 0.00 H new ATOM 1086 N GLN A 67 -7.407 7.475 1.077 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.859 7.384 0.997 1.00 0.00 C ATOM 1088 C GLN A 67 -9.340 7.426 -0.459 1.00 0.00 C ATOM 1089 O GLN A 67 -10.377 6.845 -0.765 1.00 0.00 O ATOM 1090 CB GLN A 67 -9.480 8.477 1.878 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.951 8.195 2.222 1.00 0.00 C ATOM 1092 CD GLN A 67 -11.405 9.034 3.416 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -10.830 8.941 4.496 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -12.424 9.864 3.260 1.00 0.00 N ATOM 0 H GLN A 67 -7.063 8.287 1.590 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.194 6.421 1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.906 8.565 2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.408 9.436 1.365 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.579 8.415 1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.079 7.136 2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.893 9.932 2.357 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.740 10.436 4.043 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.544 8.020 -1.358 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.832 8.014 -2.778 1.00 0.00 C ATOM 1105 C ALA A 68 -8.433 6.654 -3.344 1.00 0.00 C ATOM 1106 O ALA A 68 -9.258 6.062 -4.021 1.00 0.00 O ATOM 1107 CB ALA A 68 -8.085 9.151 -3.487 1.00 0.00 C ATOM 0 H ALA A 68 -7.687 8.514 -1.111 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.897 8.178 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.315 9.129 -4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.397 10.108 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.012 9.025 -3.345 1.00 0.00 H new ATOM 1113 N ILE A 69 -7.241 6.119 -3.031 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.803 4.792 -3.494 1.00 0.00 C ATOM 1115 C ILE A 69 -7.858 3.715 -3.203 1.00 0.00 C ATOM 1116 O ILE A 69 -8.175 2.898 -4.062 1.00 0.00 O ATOM 1117 CB ILE A 69 -5.413 4.437 -2.911 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -4.327 5.297 -3.587 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -5.080 2.944 -3.112 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -3.043 5.389 -2.761 1.00 0.00 C ATOM 0 H ILE A 69 -6.553 6.596 -2.448 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.696 4.828 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.439 4.641 -1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.095 4.877 -4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.718 6.301 -3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.098 2.730 -2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.830 2.333 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.076 2.712 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.315 6.007 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.265 5.836 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.632 4.390 -2.614 1.00 0.00 H new ATOM 1132 N CYS A 70 -8.376 3.657 -1.981 1.00 0.00 N ATOM 1133 CA CYS A 70 -9.377 2.665 -1.614 1.00 0.00 C ATOM 1134 C CYS A 70 -10.628 2.813 -2.488 1.00 0.00 C ATOM 1135 O CYS A 70 -11.138 1.793 -2.924 1.00 0.00 O ATOM 1136 CB CYS A 70 -9.690 2.874 -0.123 1.00 0.00 C ATOM 1137 SG CYS A 70 -8.220 2.940 0.946 1.00 0.00 S ATOM 0 H CYS A 70 -8.116 4.290 -1.224 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.009 1.652 -1.778 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.251 3.801 -0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.337 2.066 0.218 1.00 0.00 H new ATOM 1142 N VAL A 71 -11.135 4.013 -2.771 1.00 0.00 N ATOM 1143 CA VAL A 71 -12.311 4.148 -3.637 1.00 0.00 C ATOM 1144 C VAL A 71 -11.941 3.807 -5.094 1.00 0.00 C ATOM 1145 O VAL A 71 -12.643 3.037 -5.741 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.969 5.524 -3.395 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -14.121 5.857 -4.352 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -13.536 5.576 -1.958 1.00 0.00 C ATOM 0 H VAL A 71 -10.759 4.894 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.085 3.422 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.179 6.255 -3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.523 6.841 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.753 5.859 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.907 5.109 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.001 6.547 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.280 4.790 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.727 5.429 -1.242 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.791 4.285 -5.565 1.00 0.00 N ATOM 1159 CA ASP A 72 -10.178 4.077 -6.879 1.00 0.00 C ATOM 1160 C ASP A 72 -10.103 2.611 -7.322 1.00 0.00 C ATOM 1161 O ASP A 72 -10.595 2.281 -8.398 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.808 4.756 -6.808 1.00 0.00 C ATOM 1163 CG ASP A 72 -7.834 4.470 -7.937 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -6.957 3.607 -7.708 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.694 5.304 -8.857 1.00 0.00 O ATOM 0 H ASP A 72 -10.208 4.885 -4.982 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.802 4.517 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.967 5.833 -6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.334 4.464 -5.871 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.514 1.714 -6.523 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.499 0.268 -6.829 1.00 0.00 C ATOM 1172 C ILE A 73 -10.680 -0.510 -6.224 1.00 0.00 C ATOM 1173 O ILE A 73 -10.783 -1.729 -6.398 1.00 0.00 O ATOM 1174 CB ILE A 73 -8.124 -0.361 -6.575 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.484 0.206 -5.304 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -7.203 -0.154 -7.786 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.306 -0.627 -4.859 1.00 0.00 C ATOM 0 H ILE A 73 -9.038 1.960 -5.655 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.666 0.181 -7.903 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.265 -1.432 -6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.159 1.231 -5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.227 0.243 -4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.232 -0.607 -7.586 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.647 -0.621 -8.665 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.075 0.913 -7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.876 -0.196 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.637 -1.645 -4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.553 -0.642 -5.647 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.563 0.200 -5.526 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.838 -0.217 -4.956 1.00 0.00 C ATOM 1191 C LYS A 74 -12.635 -1.118 -3.733 1.00 0.00 C ATOM 1192 O LYS A 74 -12.676 -2.350 -3.852 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.693 -0.778 -6.112 1.00 0.00 C ATOM 1194 CG LYS A 74 -15.172 -0.887 -5.755 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.922 -2.028 -6.451 1.00 0.00 C ATOM 1196 CE LYS A 74 -15.887 -3.322 -5.628 1.00 0.00 C ATOM 1197 NZ LYS A 74 -14.509 -3.784 -5.354 1.00 0.00 N ATOM 0 H LYS A 74 -11.382 1.184 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.403 0.612 -4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.581 -0.135 -6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.318 -1.763 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.262 -1.018 -4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.661 0.055 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.958 -1.732 -6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.480 -2.209 -7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.407 -3.162 -4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.429 -4.103 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.537 -4.747 -4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.961 -3.785 -6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.058 -3.145 -4.669 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.462 -0.511 -2.555 1.00 0.00 N ATOM 1212 CA ILE A 75 -12.112 -1.163 -1.297 1.00 0.00 C ATOM 1213 C ILE A 75 -12.903 -0.598 -0.091 1.00 0.00 C ATOM 1214 O ILE A 75 -13.073 -1.296 0.911 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.633 -0.770 -1.003 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.587 -0.902 -2.130 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -10.091 -1.564 0.202 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -9.215 -2.292 -2.562 1.00 0.00 C ATOM 0 H ILE A 75 -12.568 0.498 -2.452 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.311 -2.229 -1.403 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.734 0.302 -0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.961 -0.366 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.678 -0.393 -1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.057 -1.276 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.696 -1.347 1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.136 -2.631 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.473 -2.239 -3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.800 -2.837 -1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.102 -2.809 -2.927 1.00 0.00 H new ATOM 1230 N CYS A 76 -13.330 0.666 -0.128 1.00 0.00 N ATOM 1231 CA CYS A 76 -13.954 1.379 0.977 1.00 0.00 C ATOM 1232 C CYS A 76 -15.456 1.105 1.093 1.00 0.00 C ATOM 1233 O CYS A 76 -15.869 0.239 1.880 1.00 0.00 O ATOM 1234 CB CYS A 76 -13.658 2.884 0.807 1.00 0.00 C ATOM 1235 SG CYS A 76 -14.138 3.953 2.192 1.00 0.00 S ATOM 0 H CYS A 76 -13.245 1.241 -0.966 1.00 0.00 H new ATOM 0 HA CYS A 76 -13.529 1.017 1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.589 3.006 0.634 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -14.168 3.235 -0.090 1.00 0.00 H new ATOM 1240 N LYS A 77 -16.272 1.909 0.413 1.00 0.00 N ATOM 1241 CA LYS A 77 -17.710 1.773 0.265 1.00 0.00 C ATOM 1242 C LYS A 77 -18.059 2.616 -0.943 1.00 0.00 C ATOM 1243 O LYS A 77 -18.494 3.757 -0.827 1.00 0.00 O ATOM 1244 CB LYS A 77 -18.540 2.166 1.511 1.00 0.00 C ATOM 1245 CG LYS A 77 -19.966 1.559 1.555 1.00 0.00 C ATOM 1246 CD LYS A 77 -20.823 1.507 0.269 1.00 0.00 C ATOM 1247 CE LYS A 77 -21.335 2.863 -0.248 1.00 0.00 C ATOM 1248 NZ LYS A 77 -21.831 2.759 -1.641 1.00 0.00 N ATOM 0 H LYS A 77 -15.916 2.727 -0.081 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.970 0.722 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.999 1.854 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.621 3.252 1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.873 0.538 1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.533 2.117 2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.234 1.038 -0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -21.682 0.861 0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.136 3.222 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.532 3.599 -0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.416 3.520 -2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.559 1.837 -2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.867 2.846 -1.648 1.00 0.00 H new ATOM 1262 N GLU A 78 -17.769 2.041 -2.086 1.00 0.00 N ATOM 1263 CA GLU A 78 -18.115 2.561 -3.388 1.00 0.00 C ATOM 1264 C GLU A 78 -19.607 2.309 -3.541 1.00 0.00 C ATOM 1265 O GLU A 78 -20.069 1.227 -3.104 1.00 0.00 O ATOM 1266 CB GLU A 78 -17.232 1.863 -4.431 1.00 0.00 C ATOM 1267 CG GLU A 78 -15.736 2.129 -4.150 1.00 0.00 C ATOM 1268 CD GLU A 78 -15.164 1.427 -2.900 1.00 0.00 C ATOM 1269 OE1 GLU A 78 -15.464 0.241 -2.628 1.00 0.00 O ATOM 1270 OE2 GLU A 78 -14.436 2.081 -2.125 1.00 0.00 O ATOM 1271 OXT GLU A 78 -20.352 3.273 -3.796 1.00 0.00 O ATOM 0 H GLU A 78 -17.262 1.157 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.934 3.628 -3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -17.424 0.790 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.488 2.220 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.159 1.814 -5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.589 3.204 -4.042 1.00 0.00 H new TER 1278 GLU A 78