USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 654 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 6 GLN : amide:sc= 0 K(o=-0.75,f=-0.15) USER MOD Set 1.2: A 7 GLN : amide:sc= -0.745 K(o=-0.75,f=-0.15) USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot -51:sc= 0.972 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -15:sc= 0.969 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 153:sc= -2.16 (180deg=-3.69!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -131:sc= 0 (180deg=-0.0962) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 99:sc= 0.122 USER MOD Single : A 81 MET CE :methyl -124:sc= -0.387 (180deg=-3.66!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.2!) USER MOD Single : A 86 MET CE :methyl 149:sc= -3.36! (180deg=-4.47!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -22.768 6.518 -17.983 1.00 0.00 N ATOM 2 CA ALA A 1 -22.282 5.132 -17.823 1.00 0.00 C ATOM 3 C ALA A 1 -20.900 5.138 -17.115 1.00 0.00 C ATOM 4 O ALA A 1 -20.258 6.187 -16.989 1.00 0.00 O ATOM 5 CB ALA A 1 -22.220 4.436 -19.195 1.00 0.00 C ATOM 0 H1 ALA A 1 -23.600 6.666 -17.376 1.00 0.00 H new ATOM 0 H2 ALA A 1 -22.017 7.183 -17.709 1.00 0.00 H new ATOM 0 H3 ALA A 1 -23.030 6.681 -18.976 1.00 0.00 H new ATOM 0 HA ALA A 1 -22.974 4.568 -17.198 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -21.861 3.415 -19.069 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -23.215 4.418 -19.639 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.540 4.982 -19.849 1.00 0.00 H new ATOM 13 N SER A 2 -20.473 3.956 -16.632 1.00 0.00 N ATOM 14 CA SER A 2 -19.215 3.804 -15.853 1.00 0.00 C ATOM 15 C SER A 2 -19.292 4.656 -14.557 1.00 0.00 C ATOM 16 O SER A 2 -20.291 5.342 -14.310 1.00 0.00 O ATOM 17 CB SER A 2 -18.010 4.191 -16.741 1.00 0.00 C ATOM 18 OG SER A 2 -17.642 5.554 -16.553 1.00 0.00 O ATOM 0 H SER A 2 -20.981 3.082 -16.766 1.00 0.00 H new ATOM 0 HA SER A 2 -19.081 2.766 -15.549 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.162 3.548 -16.506 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.259 4.021 -17.789 1.00 0.00 H new ATOM 0 HG SER A 2 -18.433 6.123 -16.653 1.00 0.00 H new ATOM 24 N MET A 3 -18.224 4.596 -13.741 1.00 0.00 N ATOM 25 CA MET A 3 -18.137 5.345 -12.459 1.00 0.00 C ATOM 26 C MET A 3 -16.686 5.862 -12.264 1.00 0.00 C ATOM 27 O MET A 3 -16.471 7.035 -11.938 1.00 0.00 O ATOM 28 CB MET A 3 -18.603 4.437 -11.287 1.00 0.00 C ATOM 29 CG MET A 3 -20.126 4.372 -11.058 1.00 0.00 C ATOM 30 SD MET A 3 -20.698 5.795 -10.100 1.00 0.00 S ATOM 31 CE MET A 3 -22.467 5.786 -10.452 1.00 0.00 C ATOM 0 H MET A 3 -17.398 4.033 -13.943 1.00 0.00 H new ATOM 0 HA MET A 3 -18.798 6.211 -12.479 1.00 0.00 H new ATOM 0 HB2 MET A 3 -18.238 3.426 -11.467 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.131 4.788 -10.370 1.00 0.00 H new ATOM 0 HG2 MET A 3 -20.641 4.345 -12.018 1.00 0.00 H new ATOM 0 HG3 MET A 3 -20.380 3.450 -10.534 1.00 0.00 H new ATOM 0 HE1 MET A 3 -22.947 6.611 -9.926 1.00 0.00 H new ATOM 0 HE2 MET A 3 -22.625 5.899 -11.525 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.899 4.843 -10.119 1.00 0.00 H new ATOM 41 N THR A 4 -15.702 4.968 -12.476 1.00 0.00 N ATOM 42 CA THR A 4 -14.257 5.301 -12.354 1.00 0.00 C ATOM 43 C THR A 4 -13.973 5.970 -10.982 1.00 0.00 C ATOM 44 O THR A 4 -13.329 7.025 -10.914 1.00 0.00 O ATOM 45 CB THR A 4 -13.765 6.117 -13.589 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.270 7.446 -13.506 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.104 5.568 -14.990 1.00 0.00 C ATOM 0 H THR A 4 -15.877 3.997 -12.736 1.00 0.00 H new ATOM 0 HA THR A 4 -13.665 4.386 -12.366 1.00 0.00 H new ATOM 0 HB THR A 4 -12.679 6.051 -13.518 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.995 7.480 -12.848 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.700 6.237 -15.750 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.666 4.577 -15.108 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.186 5.502 -15.103 1.00 0.00 H new ATOM 55 N ASP A 5 -14.436 5.327 -9.893 1.00 0.00 N ATOM 56 CA ASP A 5 -14.248 5.837 -8.508 1.00 0.00 C ATOM 57 C ASP A 5 -12.737 5.780 -8.156 1.00 0.00 C ATOM 58 O ASP A 5 -12.229 6.628 -7.413 1.00 0.00 O ATOM 59 CB ASP A 5 -15.131 5.061 -7.488 1.00 0.00 C ATOM 60 CG ASP A 5 -15.676 5.880 -6.305 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.638 6.657 -6.498 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.138 5.754 -5.183 1.00 0.00 O ATOM 0 H ASP A 5 -14.948 4.446 -9.940 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.578 6.874 -8.450 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.976 4.629 -8.024 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.547 4.231 -7.091 1.00 0.00 H new ATOM 67 N GLN A 6 -12.042 4.751 -8.676 1.00 0.00 N ATOM 68 CA GLN A 6 -10.610 4.495 -8.368 1.00 0.00 C ATOM 69 C GLN A 6 -9.813 5.803 -8.627 1.00 0.00 C ATOM 70 O GLN A 6 -9.482 6.538 -7.690 1.00 0.00 O ATOM 71 CB GLN A 6 -10.082 3.299 -9.211 1.00 0.00 C ATOM 72 CG GLN A 6 -10.745 3.094 -10.595 1.00 0.00 C ATOM 73 CD GLN A 6 -9.768 2.711 -11.721 1.00 0.00 C ATOM 74 OE1 GLN A 6 -9.757 3.319 -12.791 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.937 1.701 -11.511 1.00 0.00 N ATOM 0 H GLN A 6 -12.449 4.072 -9.320 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.484 4.215 -7.322 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.010 3.432 -9.360 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.212 2.386 -8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.503 2.316 -10.509 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.261 4.012 -10.876 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.954 1.203 -10.621 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.280 1.421 -12.240 1.00 0.00 H new ATOM 84 N GLN A 7 -9.490 6.058 -9.909 1.00 0.00 N ATOM 85 CA GLN A 7 -8.638 7.202 -10.328 1.00 0.00 C ATOM 86 C GLN A 7 -9.328 8.529 -9.912 1.00 0.00 C ATOM 87 O GLN A 7 -8.653 9.545 -9.694 1.00 0.00 O ATOM 88 CB GLN A 7 -8.394 7.194 -11.865 1.00 0.00 C ATOM 89 CG GLN A 7 -9.308 8.116 -12.704 1.00 0.00 C ATOM 90 CD GLN A 7 -9.753 7.463 -14.023 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.725 8.085 -15.085 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.165 6.205 -13.991 1.00 0.00 N ATOM 0 H GLN A 7 -9.809 5.481 -10.687 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.670 7.112 -9.836 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.358 7.478 -12.049 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.513 6.172 -12.226 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.188 8.380 -12.118 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.780 9.044 -12.922 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.185 5.697 -13.107 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.462 5.744 -14.851 1.00 0.00 H new ATOM 101 N ALA A 8 -10.670 8.515 -9.813 1.00 0.00 N ATOM 102 CA ALA A 8 -11.469 9.709 -9.427 1.00 0.00 C ATOM 103 C ALA A 8 -10.954 10.288 -8.080 1.00 0.00 C ATOM 104 O ALA A 8 -10.838 11.509 -7.922 1.00 0.00 O ATOM 105 CB ALA A 8 -12.957 9.315 -9.350 1.00 0.00 C ATOM 0 H ALA A 8 -11.235 7.685 -9.995 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.358 10.492 -10.177 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.550 10.185 -9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.288 8.951 -10.323 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.087 8.530 -8.605 1.00 0.00 H new ATOM 111 N GLU A 9 -10.657 9.393 -7.119 1.00 0.00 N ATOM 112 CA GLU A 9 -10.243 9.776 -5.743 1.00 0.00 C ATOM 113 C GLU A 9 -8.738 10.157 -5.748 1.00 0.00 C ATOM 114 O GLU A 9 -8.374 11.304 -5.461 1.00 0.00 O ATOM 115 CB GLU A 9 -10.548 8.648 -4.714 1.00 0.00 C ATOM 116 CG GLU A 9 -11.963 8.646 -4.091 1.00 0.00 C ATOM 117 CD GLU A 9 -11.946 8.601 -2.561 1.00 0.00 C ATOM 118 OE1 GLU A 9 -11.841 7.493 -1.989 1.00 0.00 O ATOM 119 OE2 GLU A 9 -12.031 9.673 -1.922 1.00 0.00 O ATOM 0 H GLU A 9 -10.695 8.385 -7.267 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.825 10.642 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.390 7.687 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.820 8.717 -3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.498 9.538 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.518 7.787 -4.468 1.00 0.00 H new ATOM 126 N ALA A 10 -7.872 9.170 -6.048 1.00 0.00 N ATOM 127 CA ALA A 10 -6.396 9.343 -6.014 1.00 0.00 C ATOM 128 C ALA A 10 -5.969 10.615 -6.798 1.00 0.00 C ATOM 129 O ALA A 10 -4.889 11.167 -6.550 1.00 0.00 O ATOM 130 CB ALA A 10 -5.730 8.074 -6.583 1.00 0.00 C ATOM 0 H ALA A 10 -8.168 8.233 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.067 9.482 -4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.647 8.191 -6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.013 7.212 -5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.059 7.920 -7.611 1.00 0.00 H new ATOM 136 N ARG A 11 -6.807 11.047 -7.759 1.00 0.00 N ATOM 137 CA ARG A 11 -6.495 12.178 -8.673 1.00 0.00 C ATOM 138 C ARG A 11 -6.690 13.505 -7.888 1.00 0.00 C ATOM 139 O ARG A 11 -5.821 14.385 -7.916 1.00 0.00 O ATOM 140 CB ARG A 11 -7.403 12.129 -9.935 1.00 0.00 C ATOM 141 CG ARG A 11 -6.649 12.030 -11.281 1.00 0.00 C ATOM 142 CD ARG A 11 -6.322 13.410 -11.883 1.00 0.00 C ATOM 143 NE ARG A 11 -5.213 13.333 -12.867 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.378 13.276 -14.205 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.443 12.694 -14.739 1.00 0.00 N ATOM 146 NH2 ARG A 11 -4.475 13.793 -15.027 1.00 0.00 N ATOM 0 H ARG A 11 -7.721 10.627 -7.929 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.464 12.109 -9.019 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.074 11.274 -9.848 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.026 13.023 -9.950 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.723 11.474 -11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.252 11.463 -11.990 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.210 13.815 -12.367 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.052 14.100 -11.084 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.259 13.322 -12.506 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.154 12.280 -14.136 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.551 12.660 -15.753 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.640 14.242 -14.650 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.615 13.741 -16.036 1.00 0.00 H new ATOM 160 N ALA A 12 -7.853 13.638 -7.219 1.00 0.00 N ATOM 161 CA ALA A 12 -8.237 14.890 -6.513 1.00 0.00 C ATOM 162 C ALA A 12 -7.188 15.225 -5.418 1.00 0.00 C ATOM 163 O ALA A 12 -6.940 16.399 -5.119 1.00 0.00 O ATOM 164 CB ALA A 12 -9.652 14.734 -5.924 1.00 0.00 C ATOM 0 H ALA A 12 -8.548 12.895 -7.149 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.254 15.723 -7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.934 15.651 -5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.361 14.538 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.663 13.902 -5.220 1.00 0.00 H new ATOM 170 N PHE A 13 -6.606 14.176 -4.806 1.00 0.00 N ATOM 171 CA PHE A 13 -5.612 14.327 -3.710 1.00 0.00 C ATOM 172 C PHE A 13 -4.232 14.714 -4.309 1.00 0.00 C ATOM 173 O PHE A 13 -3.608 15.692 -3.882 1.00 0.00 O ATOM 174 CB PHE A 13 -5.573 13.012 -2.878 1.00 0.00 C ATOM 175 CG PHE A 13 -4.664 13.051 -1.633 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.378 13.599 -1.715 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.108 12.525 -0.414 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.547 13.612 -0.597 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.274 12.538 0.702 1.00 0.00 C ATOM 180 CZ PHE A 13 -2.994 13.078 0.609 1.00 0.00 C ATOM 0 H PHE A 13 -6.805 13.206 -5.050 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.895 15.132 -3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.588 12.771 -2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.241 12.201 -3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.029 14.013 -2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.101 12.107 -0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.556 14.036 -0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.621 12.129 1.640 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.347 13.083 1.474 1.00 0.00 H new ATOM 190 N LEU A 14 -3.775 13.926 -5.300 1.00 0.00 N ATOM 191 CA LEU A 14 -2.431 14.084 -5.917 1.00 0.00 C ATOM 192 C LEU A 14 -2.578 15.015 -7.151 1.00 0.00 C ATOM 193 O LEU A 14 -3.145 14.619 -8.177 1.00 0.00 O ATOM 194 CB LEU A 14 -1.829 12.700 -6.305 1.00 0.00 C ATOM 195 CG LEU A 14 -1.953 11.543 -5.270 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.328 10.216 -5.960 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.670 11.356 -4.435 1.00 0.00 C ATOM 0 H LEU A 14 -4.320 13.162 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.738 14.531 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.304 12.375 -7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.771 12.843 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.753 11.829 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.407 9.427 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.284 10.329 -6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.558 9.953 -6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.811 10.537 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.165 11.125 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.455 12.274 -3.887 1.00 0.00 H new ATOM 209 N SER A 15 -2.032 16.241 -7.041 1.00 0.00 N ATOM 210 CA SER A 15 -2.088 17.255 -8.127 1.00 0.00 C ATOM 211 C SER A 15 -1.274 16.759 -9.353 1.00 0.00 C ATOM 212 O SER A 15 -0.974 15.565 -9.471 1.00 0.00 O ATOM 213 CB SER A 15 -1.575 18.612 -7.590 1.00 0.00 C ATOM 214 OG SER A 15 -0.160 18.609 -7.435 1.00 0.00 O ATOM 0 H SER A 15 -1.542 16.561 -6.206 1.00 0.00 H new ATOM 0 HA SER A 15 -3.116 17.398 -8.459 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.866 19.409 -8.274 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.047 18.827 -6.631 1.00 0.00 H new ATOM 0 HG SER A 15 0.134 19.480 -7.096 1.00 0.00 H new ATOM 220 N GLU A 16 -0.952 17.689 -10.271 1.00 0.00 N ATOM 221 CA GLU A 16 -0.207 17.377 -11.520 1.00 0.00 C ATOM 222 C GLU A 16 1.301 17.228 -11.175 1.00 0.00 C ATOM 223 O GLU A 16 1.999 16.388 -11.755 1.00 0.00 O ATOM 224 CB GLU A 16 -0.494 18.456 -12.603 1.00 0.00 C ATOM 225 CG GLU A 16 0.105 18.201 -14.007 1.00 0.00 C ATOM 226 CD GLU A 16 -0.632 17.132 -14.819 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.853 16.952 -14.615 1.00 0.00 O ATOM 228 OE2 GLU A 16 0.005 16.469 -15.667 1.00 0.00 O ATOM 0 H GLU A 16 -1.196 18.675 -10.175 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.541 16.432 -11.948 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.574 18.557 -12.706 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.118 19.412 -12.240 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.099 19.136 -14.568 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.148 17.903 -13.896 1.00 0.00 H new ATOM 235 N GLU A 17 1.778 18.059 -10.224 1.00 0.00 N ATOM 236 CA GLU A 17 3.219 18.118 -9.857 1.00 0.00 C ATOM 237 C GLU A 17 3.544 16.890 -8.963 1.00 0.00 C ATOM 238 O GLU A 17 4.625 16.299 -9.072 1.00 0.00 O ATOM 239 CB GLU A 17 3.571 19.481 -9.190 1.00 0.00 C ATOM 240 CG GLU A 17 4.715 19.464 -8.148 1.00 0.00 C ATOM 241 CD GLU A 17 5.366 20.830 -7.909 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.748 21.685 -7.237 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.499 21.053 -8.389 1.00 0.00 O ATOM 0 H GLU A 17 1.190 18.701 -9.693 1.00 0.00 H new ATOM 0 HA GLU A 17 3.846 18.065 -10.747 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.836 20.187 -9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.674 19.866 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.324 19.090 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.481 18.761 -8.477 1.00 0.00 H new ATOM 250 N MET A 18 2.582 16.504 -8.105 1.00 0.00 N ATOM 251 CA MET A 18 2.719 15.327 -7.206 1.00 0.00 C ATOM 252 C MET A 18 2.821 14.058 -8.097 1.00 0.00 C ATOM 253 O MET A 18 3.576 13.129 -7.786 1.00 0.00 O ATOM 254 CB MET A 18 1.544 15.243 -6.192 1.00 0.00 C ATOM 255 CG MET A 18 1.813 15.849 -4.802 1.00 0.00 C ATOM 256 SD MET A 18 0.939 14.903 -3.534 1.00 0.00 S ATOM 257 CE MET A 18 -0.606 15.827 -3.406 1.00 0.00 C ATOM 0 H MET A 18 1.691 16.991 -8.010 1.00 0.00 H new ATOM 0 HA MET A 18 3.621 15.418 -6.600 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.679 15.745 -6.625 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.273 14.195 -6.064 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.883 15.846 -4.596 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.487 16.889 -4.781 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.401 15.162 -3.069 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.485 16.640 -2.690 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.866 16.238 -4.381 1.00 0.00 H new ATOM 267 N ILE A 19 2.071 14.051 -9.215 1.00 0.00 N ATOM 268 CA ILE A 19 1.997 12.888 -10.141 1.00 0.00 C ATOM 269 C ILE A 19 3.435 12.674 -10.687 1.00 0.00 C ATOM 270 O ILE A 19 3.864 11.533 -10.899 1.00 0.00 O ATOM 271 CB ILE A 19 0.891 13.084 -11.245 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.529 12.650 -10.759 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.241 12.361 -12.574 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.790 12.780 -9.249 1.00 0.00 C ATOM 0 H ILE A 19 1.499 14.844 -9.507 1.00 0.00 H new ATOM 0 HA ILE A 19 1.674 11.980 -9.632 1.00 0.00 H new ATOM 0 HB ILE A 19 0.868 14.157 -11.438 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.271 13.246 -11.289 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.689 11.611 -11.048 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.445 12.529 -13.300 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.179 12.754 -12.966 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.345 11.292 -12.390 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.805 12.451 -9.026 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.079 12.160 -8.702 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.671 13.821 -8.947 1.00 0.00 H new ATOM 286 N ALA A 20 4.157 13.782 -10.938 1.00 0.00 N ATOM 287 CA ALA A 20 5.506 13.748 -11.565 1.00 0.00 C ATOM 288 C ALA A 20 6.499 12.972 -10.656 1.00 0.00 C ATOM 289 O ALA A 20 7.379 12.256 -11.150 1.00 0.00 O ATOM 290 CB ALA A 20 5.975 15.192 -11.825 1.00 0.00 C ATOM 0 H ALA A 20 3.831 14.723 -10.717 1.00 0.00 H new ATOM 0 HA ALA A 20 5.464 13.223 -12.519 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.963 15.176 -12.285 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.272 15.688 -12.494 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.022 15.735 -10.881 1.00 0.00 H new ATOM 296 N GLU A 21 6.359 13.151 -9.330 1.00 0.00 N ATOM 297 CA GLU A 21 7.244 12.502 -8.326 1.00 0.00 C ATOM 298 C GLU A 21 7.246 10.971 -8.589 1.00 0.00 C ATOM 299 O GLU A 21 8.261 10.294 -8.389 1.00 0.00 O ATOM 300 CB GLU A 21 6.796 12.886 -6.886 1.00 0.00 C ATOM 301 CG GLU A 21 7.547 12.201 -5.721 1.00 0.00 C ATOM 302 CD GLU A 21 7.693 13.073 -4.469 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.789 13.047 -3.605 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.709 13.792 -4.348 1.00 0.00 O ATOM 0 H GLU A 21 5.637 13.743 -8.919 1.00 0.00 H new ATOM 0 HA GLU A 21 8.271 12.854 -8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.903 13.965 -6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.735 12.659 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.021 11.285 -5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.539 11.909 -6.065 1.00 0.00 H new ATOM 311 N PHE A 22 6.084 10.439 -9.010 1.00 0.00 N ATOM 312 CA PHE A 22 5.872 8.980 -9.203 1.00 0.00 C ATOM 313 C PHE A 22 6.215 8.599 -10.670 1.00 0.00 C ATOM 314 O PHE A 22 6.503 7.427 -10.951 1.00 0.00 O ATOM 315 CB PHE A 22 4.411 8.589 -8.822 1.00 0.00 C ATOM 316 CG PHE A 22 4.022 8.866 -7.355 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.863 8.462 -6.311 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.836 9.547 -7.054 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.551 8.786 -4.993 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.525 9.865 -5.734 1.00 0.00 C ATOM 321 CZ PHE A 22 3.396 9.510 -4.708 1.00 0.00 C ATOM 0 H PHE A 22 5.262 11.002 -9.228 1.00 0.00 H new ATOM 0 HA PHE A 22 6.535 8.419 -8.544 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.725 9.131 -9.472 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.271 7.527 -9.025 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.757 7.897 -6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.160 9.827 -7.848 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.205 8.476 -4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.607 10.387 -5.507 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.176 9.796 -3.690 1.00 0.00 H new ATOM 331 N LYS A 23 6.150 9.574 -11.594 1.00 0.00 N ATOM 332 CA LYS A 23 6.350 9.351 -13.053 1.00 0.00 C ATOM 333 C LYS A 23 7.613 8.471 -13.253 1.00 0.00 C ATOM 334 O LYS A 23 7.610 7.541 -14.071 1.00 0.00 O ATOM 335 CB LYS A 23 6.490 10.704 -13.814 1.00 0.00 C ATOM 336 CG LYS A 23 5.505 10.968 -14.977 1.00 0.00 C ATOM 337 CD LYS A 23 6.163 11.456 -16.285 1.00 0.00 C ATOM 338 CE LYS A 23 5.242 11.295 -17.508 1.00 0.00 C ATOM 339 NZ LYS A 23 4.510 12.540 -17.801 1.00 0.00 N ATOM 0 H LYS A 23 5.957 10.547 -11.357 1.00 0.00 H new ATOM 0 HA LYS A 23 5.479 8.840 -13.464 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.381 11.511 -13.090 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.504 10.765 -14.210 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.955 10.050 -15.184 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.775 11.711 -14.655 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.439 12.505 -16.179 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.085 10.899 -16.453 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.835 11.008 -18.376 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.532 10.488 -17.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.899 12.397 -18.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.925 12.800 -16.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.188 13.303 -17.999 1.00 0.00 H new ATOM 353 N ALA A 24 8.695 8.793 -12.520 1.00 0.00 N ATOM 354 CA ALA A 24 10.011 8.119 -12.678 1.00 0.00 C ATOM 355 C ALA A 24 9.877 6.605 -12.360 1.00 0.00 C ATOM 356 O ALA A 24 9.919 5.761 -13.263 1.00 0.00 O ATOM 357 CB ALA A 24 11.043 8.809 -11.763 1.00 0.00 C ATOM 0 H ALA A 24 8.690 9.521 -11.805 1.00 0.00 H new ATOM 0 HA ALA A 24 10.355 8.204 -13.709 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.011 8.320 -11.873 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.133 9.859 -12.042 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.716 8.736 -10.726 1.00 0.00 H new ATOM 363 N ALA A 25 9.744 6.279 -11.061 1.00 0.00 N ATOM 364 CA ALA A 25 9.714 4.875 -10.570 1.00 0.00 C ATOM 365 C ALA A 25 8.739 4.015 -11.422 1.00 0.00 C ATOM 366 O ALA A 25 8.935 2.802 -11.566 1.00 0.00 O ATOM 367 CB ALA A 25 9.323 4.875 -9.079 1.00 0.00 C ATOM 0 H ALA A 25 9.654 6.973 -10.319 1.00 0.00 H new ATOM 0 HA ALA A 25 10.702 4.427 -10.672 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.298 3.850 -8.709 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.056 5.448 -8.511 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.338 5.327 -8.961 1.00 0.00 H new ATOM 373 N PHE A 26 7.687 4.659 -11.965 1.00 0.00 N ATOM 374 CA PHE A 26 6.607 3.953 -12.708 1.00 0.00 C ATOM 375 C PHE A 26 7.242 3.270 -13.950 1.00 0.00 C ATOM 376 O PHE A 26 7.076 2.063 -14.161 1.00 0.00 O ATOM 377 CB PHE A 26 5.454 4.926 -13.101 1.00 0.00 C ATOM 378 CG PHE A 26 4.479 4.381 -14.170 1.00 0.00 C ATOM 379 CD1 PHE A 26 4.065 3.045 -14.130 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.982 5.223 -15.172 1.00 0.00 C ATOM 381 CE1 PHE A 26 3.126 2.572 -15.045 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.044 4.748 -16.086 1.00 0.00 C ATOM 383 CZ PHE A 26 2.609 3.427 -16.015 1.00 0.00 C ATOM 0 H PHE A 26 7.556 5.669 -11.906 1.00 0.00 H new ATOM 0 HA PHE A 26 6.152 3.194 -12.071 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.886 5.174 -12.204 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.891 5.855 -13.468 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.475 2.377 -13.387 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.327 6.244 -15.237 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.800 1.543 -15.002 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.654 5.404 -16.850 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.869 3.065 -16.714 1.00 0.00 H new ATOM 393 N ASP A 27 7.943 4.066 -14.780 1.00 0.00 N ATOM 394 CA ASP A 27 8.603 3.567 -16.015 1.00 0.00 C ATOM 395 C ASP A 27 9.651 2.491 -15.618 1.00 0.00 C ATOM 396 O ASP A 27 9.856 1.513 -16.348 1.00 0.00 O ATOM 397 CB ASP A 27 9.220 4.728 -16.847 1.00 0.00 C ATOM 398 CG ASP A 27 10.174 4.314 -17.981 1.00 0.00 C ATOM 399 OD1 ASP A 27 9.959 3.243 -18.591 1.00 0.00 O ATOM 400 OD2 ASP A 27 11.143 5.056 -18.260 1.00 0.00 O ATOM 0 H ASP A 27 8.071 5.065 -14.621 1.00 0.00 H new ATOM 0 HA ASP A 27 7.861 3.107 -16.667 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.406 5.311 -17.279 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.760 5.388 -16.168 1.00 0.00 H new ATOM 405 N MET A 28 10.308 2.693 -14.459 1.00 0.00 N ATOM 406 CA MET A 28 11.327 1.746 -13.930 1.00 0.00 C ATOM 407 C MET A 28 10.712 0.320 -13.969 1.00 0.00 C ATOM 408 O MET A 28 11.378 -0.645 -14.360 1.00 0.00 O ATOM 409 CB MET A 28 11.803 2.140 -12.503 1.00 0.00 C ATOM 410 CG MET A 28 13.189 1.611 -12.088 1.00 0.00 C ATOM 411 SD MET A 28 13.498 1.981 -10.347 1.00 0.00 S ATOM 412 CE MET A 28 12.524 0.697 -9.534 1.00 0.00 C ATOM 0 H MET A 28 10.154 3.507 -13.863 1.00 0.00 H new ATOM 0 HA MET A 28 12.222 1.779 -14.551 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.814 3.228 -12.432 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.068 1.781 -11.783 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.241 0.535 -12.254 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.961 2.067 -12.707 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.903 1.147 -8.760 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.888 0.203 -10.268 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.193 -0.036 -9.082 1.00 0.00 H new ATOM 422 N PHE A 29 9.438 0.207 -13.545 1.00 0.00 N ATOM 423 CA PHE A 29 8.709 -1.090 -13.518 1.00 0.00 C ATOM 424 C PHE A 29 8.572 -1.605 -14.976 1.00 0.00 C ATOM 425 O PHE A 29 8.828 -2.782 -15.257 1.00 0.00 O ATOM 426 CB PHE A 29 7.326 -0.937 -12.820 1.00 0.00 C ATOM 427 CG PHE A 29 7.345 -1.052 -11.282 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.702 0.049 -10.496 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.991 -2.254 -10.656 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.681 -0.043 -9.106 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.971 -2.343 -9.266 1.00 0.00 C ATOM 432 CZ PHE A 29 7.307 -1.235 -8.493 1.00 0.00 C ATOM 0 H PHE A 29 8.885 0.998 -13.214 1.00 0.00 H new ATOM 0 HA PHE A 29 9.267 -1.822 -12.934 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.907 0.032 -13.090 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.652 -1.697 -13.216 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.995 0.975 -10.969 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.732 -3.116 -11.254 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.955 0.811 -8.504 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.695 -3.271 -8.788 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.277 -1.301 -7.415 1.00 0.00 H new ATOM 442 N ASP A 30 8.196 -0.698 -15.897 1.00 0.00 N ATOM 443 CA ASP A 30 8.025 -1.025 -17.337 1.00 0.00 C ATOM 444 C ASP A 30 9.324 -1.702 -17.852 1.00 0.00 C ATOM 445 O ASP A 30 10.385 -1.590 -17.225 1.00 0.00 O ATOM 446 CB ASP A 30 7.633 0.231 -18.169 1.00 0.00 C ATOM 447 CG ASP A 30 6.815 -0.031 -19.445 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.273 -1.148 -19.599 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.711 0.882 -20.294 1.00 0.00 O ATOM 0 H ASP A 30 8.002 0.278 -15.672 1.00 0.00 H new ATOM 0 HA ASP A 30 7.197 -1.724 -17.458 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.063 0.903 -17.528 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.546 0.756 -18.449 1.00 0.00 H new ATOM 454 N ALA A 31 9.222 -2.401 -18.997 1.00 0.00 N ATOM 455 CA ALA A 31 10.371 -3.108 -19.623 1.00 0.00 C ATOM 456 C ALA A 31 10.451 -2.757 -21.134 1.00 0.00 C ATOM 457 O ALA A 31 11.535 -2.493 -21.666 1.00 0.00 O ATOM 458 CB ALA A 31 10.218 -4.624 -19.392 1.00 0.00 C ATOM 0 H ALA A 31 8.350 -2.496 -19.517 1.00 0.00 H new ATOM 0 HA ALA A 31 11.306 -2.786 -19.165 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.057 -5.148 -19.849 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.201 -4.829 -18.322 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.287 -4.968 -19.842 1.00 0.00 H new ATOM 464 N ASP A 32 9.282 -2.748 -21.804 1.00 0.00 N ATOM 465 CA ASP A 32 9.180 -2.496 -23.266 1.00 0.00 C ATOM 466 C ASP A 32 9.063 -0.965 -23.500 1.00 0.00 C ATOM 467 O ASP A 32 9.654 -0.422 -24.442 1.00 0.00 O ATOM 468 CB ASP A 32 8.005 -3.291 -23.906 1.00 0.00 C ATOM 469 CG ASP A 32 6.755 -3.474 -23.027 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.420 -2.553 -22.250 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.103 -4.538 -23.117 1.00 0.00 O ATOM 0 H ASP A 32 8.382 -2.914 -21.354 1.00 0.00 H new ATOM 0 HA ASP A 32 10.080 -2.857 -23.764 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.708 -2.785 -24.824 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.372 -4.277 -24.190 1.00 0.00 H new ATOM 476 N GLY A 33 8.319 -0.276 -22.614 1.00 0.00 N ATOM 477 CA GLY A 33 8.163 1.201 -22.666 1.00 0.00 C ATOM 478 C GLY A 33 7.161 1.634 -23.769 1.00 0.00 C ATOM 479 O GLY A 33 7.558 2.018 -24.876 1.00 0.00 O ATOM 0 H GLY A 33 7.811 -0.717 -21.847 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.818 1.565 -21.698 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.132 1.663 -22.853 1.00 0.00 H new ATOM 483 N GLY A 34 5.853 1.557 -23.453 1.00 0.00 N ATOM 484 CA GLY A 34 4.775 1.943 -24.398 1.00 0.00 C ATOM 485 C GLY A 34 3.764 2.889 -23.702 1.00 0.00 C ATOM 486 O GLY A 34 3.342 3.904 -24.269 1.00 0.00 O ATOM 0 H GLY A 34 5.512 1.230 -22.549 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.205 2.437 -25.269 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.261 1.052 -24.758 1.00 0.00 H new ATOM 490 N GLY A 35 3.404 2.554 -22.446 1.00 0.00 N ATOM 491 CA GLY A 35 2.531 3.410 -21.604 1.00 0.00 C ATOM 492 C GLY A 35 2.139 2.662 -20.304 1.00 0.00 C ATOM 493 O GLY A 35 2.296 3.192 -19.197 1.00 0.00 O ATOM 0 H GLY A 35 3.704 1.694 -21.987 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.048 4.337 -21.357 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.634 3.684 -22.159 1.00 0.00 H new ATOM 497 N ASP A 36 1.657 1.414 -20.459 1.00 0.00 N ATOM 498 CA ASP A 36 1.166 0.581 -19.331 1.00 0.00 C ATOM 499 C ASP A 36 2.269 -0.446 -18.954 1.00 0.00 C ATOM 500 O ASP A 36 3.412 -0.341 -19.417 1.00 0.00 O ATOM 501 CB ASP A 36 -0.195 -0.096 -19.667 1.00 0.00 C ATOM 502 CG ASP A 36 -0.245 -0.902 -20.976 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.725 -1.634 -21.276 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.252 -0.799 -21.711 1.00 0.00 O ATOM 0 H ASP A 36 1.595 0.951 -21.366 1.00 0.00 H new ATOM 0 HA ASP A 36 0.970 1.214 -18.465 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.460 -0.761 -18.845 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.961 0.678 -19.711 1.00 0.00 H new ATOM 509 N ILE A 37 1.914 -1.424 -18.100 1.00 0.00 N ATOM 510 CA ILE A 37 2.852 -2.462 -17.594 1.00 0.00 C ATOM 511 C ILE A 37 2.150 -3.847 -17.641 1.00 0.00 C ATOM 512 O ILE A 37 1.065 -4.020 -17.068 1.00 0.00 O ATOM 513 CB ILE A 37 3.461 -2.137 -16.179 1.00 0.00 C ATOM 514 CG1 ILE A 37 3.911 -0.657 -15.968 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.589 -3.135 -15.814 1.00 0.00 C ATOM 516 CD1 ILE A 37 4.095 -0.215 -14.507 1.00 0.00 C ATOM 0 H ILE A 37 0.966 -1.523 -17.736 1.00 0.00 H new ATOM 0 HA ILE A 37 3.720 -2.478 -18.253 1.00 0.00 H new ATOM 0 HB ILE A 37 2.632 -2.266 -15.483 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.853 -0.505 -16.495 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.175 -0.003 -16.436 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.991 -2.886 -14.832 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.187 -4.148 -15.796 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.384 -3.074 -16.557 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.408 0.829 -14.479 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.152 -0.325 -13.972 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.856 -0.835 -14.032 1.00 0.00 H new ATOM 528 N SER A 38 2.788 -4.834 -18.297 1.00 0.00 N ATOM 529 CA SER A 38 2.287 -6.234 -18.339 1.00 0.00 C ATOM 530 C SER A 38 2.723 -6.986 -17.052 1.00 0.00 C ATOM 531 O SER A 38 3.483 -6.453 -16.237 1.00 0.00 O ATOM 532 CB SER A 38 2.794 -6.925 -19.626 1.00 0.00 C ATOM 533 OG SER A 38 4.176 -7.252 -19.531 1.00 0.00 O ATOM 0 H SER A 38 3.658 -4.693 -18.811 1.00 0.00 H new ATOM 0 HA SER A 38 1.197 -6.246 -18.367 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.216 -7.831 -19.806 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.632 -6.269 -20.481 1.00 0.00 H new ATOM 0 HG SER A 38 4.466 -7.689 -20.359 1.00 0.00 H new ATOM 539 N THR A 39 2.232 -8.230 -16.897 1.00 0.00 N ATOM 540 CA THR A 39 2.543 -9.095 -15.728 1.00 0.00 C ATOM 541 C THR A 39 3.996 -9.623 -15.866 1.00 0.00 C ATOM 542 O THR A 39 4.670 -9.883 -14.859 1.00 0.00 O ATOM 543 CB THR A 39 1.499 -10.243 -15.551 1.00 0.00 C ATOM 544 OG1 THR A 39 0.878 -10.555 -16.796 1.00 0.00 O ATOM 545 CG2 THR A 39 0.387 -9.967 -14.522 1.00 0.00 C ATOM 0 H THR A 39 1.609 -8.669 -17.574 1.00 0.00 H new ATOM 0 HA THR A 39 2.473 -8.503 -14.815 1.00 0.00 H new ATOM 0 HB THR A 39 2.086 -11.078 -15.169 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.229 -11.277 -16.666 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.285 -10.824 -14.474 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.832 -9.800 -13.541 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.174 -9.082 -14.821 1.00 0.00 H new ATOM 553 N LYS A 40 4.468 -9.784 -17.117 1.00 0.00 N ATOM 554 CA LYS A 40 5.839 -10.284 -17.407 1.00 0.00 C ATOM 555 C LYS A 40 6.871 -9.336 -16.738 1.00 0.00 C ATOM 556 O LYS A 40 7.864 -9.793 -16.158 1.00 0.00 O ATOM 557 CB LYS A 40 6.020 -10.421 -18.947 1.00 0.00 C ATOM 558 CG LYS A 40 7.335 -11.077 -19.438 1.00 0.00 C ATOM 559 CD LYS A 40 7.288 -12.017 -20.667 1.00 0.00 C ATOM 560 CE LYS A 40 6.264 -13.171 -20.620 1.00 0.00 C ATOM 561 NZ LYS A 40 5.115 -12.985 -21.524 1.00 0.00 N ATOM 0 H LYS A 40 3.921 -9.575 -17.952 1.00 0.00 H new ATOM 0 HA LYS A 40 6.002 -11.276 -16.987 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.184 -11.001 -19.337 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.951 -9.426 -19.387 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.039 -10.276 -19.662 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.752 -11.644 -18.605 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.079 -11.413 -21.550 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.280 -12.448 -20.804 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.769 -14.103 -20.876 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.897 -13.277 -19.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.471 -13.797 -21.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.609 -12.113 -21.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.453 -12.913 -22.505 1.00 0.00 H new ATOM 575 N GLU A 41 6.625 -8.016 -16.835 1.00 0.00 N ATOM 576 CA GLU A 41 7.572 -6.975 -16.352 1.00 0.00 C ATOM 577 C GLU A 41 7.423 -6.817 -14.814 1.00 0.00 C ATOM 578 O GLU A 41 8.420 -6.803 -14.082 1.00 0.00 O ATOM 579 CB GLU A 41 7.366 -5.633 -17.114 1.00 0.00 C ATOM 580 CG GLU A 41 7.027 -5.705 -18.623 1.00 0.00 C ATOM 581 CD GLU A 41 6.051 -4.625 -19.101 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.788 -3.668 -18.340 1.00 0.00 O ATOM 583 OE2 GLU A 41 5.541 -4.731 -20.239 1.00 0.00 O ATOM 0 H GLU A 41 5.773 -7.636 -17.246 1.00 0.00 H new ATOM 0 HA GLU A 41 8.595 -7.287 -16.560 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.566 -5.085 -16.617 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.275 -5.042 -17.003 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.951 -5.623 -19.196 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.603 -6.685 -18.842 1.00 0.00 H new ATOM 590 N LEU A 42 6.170 -6.669 -14.346 1.00 0.00 N ATOM 591 CA LEU A 42 5.859 -6.392 -12.918 1.00 0.00 C ATOM 592 C LEU A 42 6.605 -7.436 -12.045 1.00 0.00 C ATOM 593 O LEU A 42 7.194 -7.097 -11.011 1.00 0.00 O ATOM 594 CB LEU A 42 4.320 -6.427 -12.670 1.00 0.00 C ATOM 595 CG LEU A 42 3.528 -5.102 -12.874 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.011 -5.365 -12.946 1.00 0.00 C ATOM 597 CD2 LEU A 42 3.828 -4.059 -11.778 1.00 0.00 C ATOM 0 H LEU A 42 5.343 -6.736 -14.939 1.00 0.00 H new ATOM 0 HA LEU A 42 6.196 -5.392 -12.647 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.890 -7.181 -13.330 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.152 -6.765 -11.648 1.00 0.00 H new ATOM 0 HG LEU A 42 3.864 -4.689 -13.825 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.484 -4.421 -13.089 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.796 -6.030 -13.782 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.678 -5.830 -12.018 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.250 -3.155 -11.968 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.555 -4.466 -10.804 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.891 -3.818 -11.786 1.00 0.00 H new ATOM 609 N GLY A 43 6.544 -8.715 -12.462 1.00 0.00 N ATOM 610 CA GLY A 43 7.098 -9.850 -11.683 1.00 0.00 C ATOM 611 C GLY A 43 8.611 -9.661 -11.407 1.00 0.00 C ATOM 612 O GLY A 43 9.096 -9.982 -10.313 1.00 0.00 O ATOM 0 H GLY A 43 6.113 -8.995 -13.343 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.563 -9.940 -10.738 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.940 -10.780 -12.229 1.00 0.00 H new ATOM 616 N THR A 44 9.347 -9.151 -12.411 1.00 0.00 N ATOM 617 CA THR A 44 10.828 -9.022 -12.352 1.00 0.00 C ATOM 618 C THR A 44 11.213 -8.043 -11.207 1.00 0.00 C ATOM 619 O THR A 44 12.085 -8.350 -10.386 1.00 0.00 O ATOM 620 CB THR A 44 11.433 -8.601 -13.728 1.00 0.00 C ATOM 621 OG1 THR A 44 11.733 -9.749 -14.519 1.00 0.00 O ATOM 622 CG2 THR A 44 12.704 -7.734 -13.648 1.00 0.00 C ATOM 0 H THR A 44 8.942 -8.816 -13.285 1.00 0.00 H new ATOM 0 HA THR A 44 11.261 -9.998 -12.130 1.00 0.00 H new ATOM 0 HB THR A 44 10.656 -7.987 -14.182 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.110 -9.465 -15.378 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.045 -7.495 -14.655 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.482 -6.811 -13.112 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.485 -8.281 -13.120 1.00 0.00 H new ATOM 630 N VAL A 45 10.563 -6.865 -11.181 1.00 0.00 N ATOM 631 CA VAL A 45 10.895 -5.763 -10.238 1.00 0.00 C ATOM 632 C VAL A 45 10.788 -6.311 -8.789 1.00 0.00 C ATOM 633 O VAL A 45 11.797 -6.431 -8.079 1.00 0.00 O ATOM 634 CB VAL A 45 10.009 -4.489 -10.493 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.418 -3.900 -9.189 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.737 -3.350 -11.249 1.00 0.00 C ATOM 0 H VAL A 45 9.792 -6.643 -11.810 1.00 0.00 H new ATOM 0 HA VAL A 45 11.918 -5.424 -10.402 1.00 0.00 H new ATOM 0 HB VAL A 45 9.207 -4.865 -11.128 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.816 -3.023 -9.426 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.793 -4.649 -8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.229 -3.613 -8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.056 -2.510 -11.384 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.603 -3.026 -10.672 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.064 -3.712 -12.224 1.00 0.00 H new ATOM 646 N MET A 46 9.553 -6.609 -8.345 1.00 0.00 N ATOM 647 CA MET A 46 9.263 -7.016 -6.943 1.00 0.00 C ATOM 648 C MET A 46 10.084 -8.292 -6.610 1.00 0.00 C ATOM 649 O MET A 46 10.867 -8.307 -5.652 1.00 0.00 O ATOM 650 CB MET A 46 7.737 -7.231 -6.723 1.00 0.00 C ATOM 651 CG MET A 46 6.883 -5.951 -6.653 1.00 0.00 C ATOM 652 SD MET A 46 6.718 -5.407 -4.938 1.00 0.00 S ATOM 653 CE MET A 46 5.453 -4.129 -5.093 1.00 0.00 C ATOM 0 H MET A 46 8.725 -6.577 -8.940 1.00 0.00 H new ATOM 0 HA MET A 46 9.561 -6.219 -6.262 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.357 -7.855 -7.532 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.598 -7.789 -5.797 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.344 -5.164 -7.249 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.898 -6.138 -7.080 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.246 -3.701 -4.112 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.807 -3.346 -5.763 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.541 -4.567 -5.497 1.00 0.00 H new ATOM 663 N ARG A 47 9.868 -9.366 -7.391 1.00 0.00 N ATOM 664 CA ARG A 47 10.466 -10.704 -7.141 1.00 0.00 C ATOM 665 C ARG A 47 12.019 -10.625 -7.168 1.00 0.00 C ATOM 666 O ARG A 47 12.684 -11.562 -6.700 1.00 0.00 O ATOM 667 CB ARG A 47 9.944 -11.734 -8.186 1.00 0.00 C ATOM 668 CG ARG A 47 8.403 -11.823 -8.284 1.00 0.00 C ATOM 669 CD ARG A 47 7.746 -12.375 -7.001 1.00 0.00 C ATOM 670 NE ARG A 47 6.835 -11.387 -6.369 1.00 0.00 N ATOM 671 CZ ARG A 47 6.736 -11.164 -5.041 1.00 0.00 C ATOM 672 NH1 ARG A 47 7.445 -11.816 -4.120 1.00 0.00 N ATOM 673 NH2 ARG A 47 5.884 -10.245 -4.628 1.00 0.00 N ATOM 0 H ARG A 47 9.272 -9.337 -8.218 1.00 0.00 H new ATOM 0 HA ARG A 47 10.164 -11.039 -6.149 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.343 -11.472 -9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.337 -12.719 -7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.000 -10.832 -8.494 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.135 -12.461 -9.126 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.188 -13.280 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.522 -12.658 -6.290 1.00 0.00 H new ATOM 0 HE ARG A 47 6.239 -10.835 -6.985 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.112 -12.534 -4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.321 -11.597 -3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.324 -9.727 -5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.785 -10.052 -3.631 1.00 0.00 H new ATOM 687 N MET A 48 12.583 -9.536 -7.719 1.00 0.00 N ATOM 688 CA MET A 48 14.054 -9.328 -7.801 1.00 0.00 C ATOM 689 C MET A 48 14.693 -9.689 -6.430 1.00 0.00 C ATOM 690 O MET A 48 15.868 -10.077 -6.378 1.00 0.00 O ATOM 691 CB MET A 48 14.409 -7.875 -8.236 1.00 0.00 C ATOM 692 CG MET A 48 14.562 -6.853 -7.094 1.00 0.00 C ATOM 693 SD MET A 48 16.286 -6.330 -6.957 1.00 0.00 S ATOM 694 CE MET A 48 16.093 -4.589 -6.521 1.00 0.00 C ATOM 0 H MET A 48 12.040 -8.772 -8.122 1.00 0.00 H new ATOM 0 HA MET A 48 14.463 -9.984 -8.570 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.341 -7.902 -8.801 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.634 -7.519 -8.915 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.925 -5.988 -7.281 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.232 -7.294 -6.154 1.00 0.00 H new ATOM 0 HE1 MET A 48 17.076 -4.132 -6.403 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.546 -4.074 -7.311 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.540 -4.507 -5.585 1.00 0.00 H new ATOM 704 N LEU A 49 13.931 -9.527 -5.334 1.00 0.00 N ATOM 705 CA LEU A 49 14.428 -9.715 -3.943 1.00 0.00 C ATOM 706 C LEU A 49 15.253 -11.028 -3.873 1.00 0.00 C ATOM 707 O LEU A 49 16.394 -11.032 -3.389 1.00 0.00 O ATOM 708 CB LEU A 49 13.241 -9.725 -2.930 1.00 0.00 C ATOM 709 CG LEU A 49 12.340 -10.994 -2.880 1.00 0.00 C ATOM 710 CD1 LEU A 49 11.383 -10.989 -1.669 1.00 0.00 C ATOM 711 CD2 LEU A 49 11.532 -11.160 -4.183 1.00 0.00 C ATOM 0 H LEU A 49 12.947 -9.261 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 49 15.074 -8.882 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.651 -9.566 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.603 -8.870 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 49 13.015 -11.843 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.777 -11.895 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 49 11.963 -10.952 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.732 -10.116 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.913 -12.055 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.894 -10.288 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.216 -11.254 -5.026 1.00 0.00 H new ATOM 723 N GLY A 50 14.659 -12.148 -4.331 1.00 0.00 N ATOM 724 CA GLY A 50 15.290 -13.488 -4.224 1.00 0.00 C ATOM 725 C GLY A 50 14.762 -14.451 -5.318 1.00 0.00 C ATOM 726 O GLY A 50 15.418 -14.648 -6.350 1.00 0.00 O ATOM 0 H GLY A 50 13.743 -12.156 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.372 -13.391 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.089 -13.909 -3.239 1.00 0.00 H new ATOM 730 N GLN A 51 13.591 -15.066 -5.065 1.00 0.00 N ATOM 731 CA GLN A 51 13.001 -16.106 -5.950 1.00 0.00 C ATOM 732 C GLN A 51 12.194 -15.393 -7.069 1.00 0.00 C ATOM 733 O GLN A 51 12.097 -14.161 -7.091 1.00 0.00 O ATOM 734 CB GLN A 51 12.129 -17.092 -5.121 1.00 0.00 C ATOM 735 CG GLN A 51 12.759 -17.624 -3.810 1.00 0.00 C ATOM 736 CD GLN A 51 11.763 -17.806 -2.651 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.590 -18.115 -2.860 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.202 -17.627 -1.414 1.00 0.00 N ATOM 0 H GLN A 51 13.022 -14.861 -4.243 1.00 0.00 H new ATOM 0 HA GLN A 51 13.783 -16.706 -6.416 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.191 -16.595 -4.874 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.881 -17.945 -5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 51 13.238 -18.582 -4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.543 -16.936 -3.494 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.176 -17.371 -1.250 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.566 -17.745 -0.625 1.00 0.00 H new ATOM 747 N ASN A 52 11.593 -16.190 -7.974 1.00 0.00 N ATOM 748 CA ASN A 52 10.749 -15.665 -9.080 1.00 0.00 C ATOM 749 C ASN A 52 9.541 -16.631 -9.365 1.00 0.00 C ATOM 750 O ASN A 52 9.712 -17.561 -10.162 1.00 0.00 O ATOM 751 CB ASN A 52 11.642 -15.451 -10.333 1.00 0.00 C ATOM 752 CG ASN A 52 11.257 -14.236 -11.203 1.00 0.00 C ATOM 753 OD1 ASN A 52 10.114 -13.780 -11.193 1.00 0.00 O ATOM 754 ND2 ASN A 52 12.191 -13.695 -11.972 1.00 0.00 N ATOM 0 H ASN A 52 11.674 -17.207 -7.965 1.00 0.00 H new ATOM 0 HA ASN A 52 10.316 -14.705 -8.798 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.676 -15.335 -10.009 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.600 -16.349 -10.949 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.965 -12.894 -12.562 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.136 -14.079 -11.974 1.00 0.00 H new ATOM 761 N PRO A 53 8.324 -16.461 -8.756 1.00 0.00 N ATOM 762 CA PRO A 53 7.127 -17.277 -9.082 1.00 0.00 C ATOM 763 C PRO A 53 6.903 -17.396 -10.617 1.00 0.00 C ATOM 764 O PRO A 53 7.506 -16.656 -11.403 1.00 0.00 O ATOM 765 CB PRO A 53 5.999 -16.526 -8.347 1.00 0.00 C ATOM 766 CG PRO A 53 6.653 -15.717 -7.226 1.00 0.00 C ATOM 767 CD PRO A 53 8.071 -15.439 -7.712 1.00 0.00 C ATOM 0 HA PRO A 53 7.202 -18.318 -8.767 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.463 -15.870 -9.033 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.270 -17.227 -7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.111 -14.790 -7.041 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.659 -16.275 -6.289 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.159 -14.431 -8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.791 -15.520 -6.897 1.00 0.00 H new ATOM 775 N THR A 54 6.003 -18.313 -11.019 1.00 0.00 N ATOM 776 CA THR A 54 5.667 -18.549 -12.449 1.00 0.00 C ATOM 777 C THR A 54 4.847 -17.339 -12.974 1.00 0.00 C ATOM 778 O THR A 54 4.756 -16.299 -12.309 1.00 0.00 O ATOM 779 CB THR A 54 4.935 -19.912 -12.663 1.00 0.00 C ATOM 780 OG1 THR A 54 5.247 -20.454 -13.944 1.00 0.00 O ATOM 781 CG2 THR A 54 3.402 -19.861 -12.528 1.00 0.00 C ATOM 0 H THR A 54 5.488 -18.911 -10.373 1.00 0.00 H new ATOM 0 HA THR A 54 6.587 -18.627 -13.029 1.00 0.00 H new ATOM 0 HB THR A 54 5.305 -20.543 -11.854 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.781 -21.308 -14.060 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.989 -20.856 -12.694 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.136 -19.520 -11.527 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.994 -19.171 -13.267 1.00 0.00 H new ATOM 789 N LYS A 55 4.266 -17.489 -14.179 1.00 0.00 N ATOM 790 CA LYS A 55 3.370 -16.467 -14.783 1.00 0.00 C ATOM 791 C LYS A 55 1.929 -16.725 -14.266 1.00 0.00 C ATOM 792 O LYS A 55 1.172 -15.782 -14.009 1.00 0.00 O ATOM 793 CB LYS A 55 3.467 -16.513 -16.339 1.00 0.00 C ATOM 794 CG LYS A 55 4.830 -16.146 -16.973 1.00 0.00 C ATOM 795 CD LYS A 55 5.535 -17.296 -17.728 1.00 0.00 C ATOM 796 CE LYS A 55 6.183 -18.361 -16.820 1.00 0.00 C ATOM 797 NZ LYS A 55 7.609 -18.100 -16.541 1.00 0.00 N ATOM 0 H LYS A 55 4.399 -18.314 -14.764 1.00 0.00 H new ATOM 0 HA LYS A 55 3.670 -15.461 -14.489 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.203 -17.519 -16.664 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.713 -15.839 -16.745 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.680 -15.317 -17.665 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.494 -15.788 -16.186 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.809 -17.785 -18.377 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.304 -16.871 -18.373 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.638 -18.406 -15.877 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.085 -19.339 -17.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.986 -18.850 -15.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.141 -18.085 -17.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.707 -17.181 -16.065 1.00 0.00 H new ATOM 811 N GLU A 56 1.560 -18.014 -14.150 1.00 0.00 N ATOM 812 CA GLU A 56 0.184 -18.435 -13.775 1.00 0.00 C ATOM 813 C GLU A 56 -0.204 -17.720 -12.452 1.00 0.00 C ATOM 814 O GLU A 56 -1.310 -17.179 -12.327 1.00 0.00 O ATOM 815 CB GLU A 56 0.097 -19.986 -13.694 1.00 0.00 C ATOM 816 CG GLU A 56 -1.249 -20.625 -14.109 1.00 0.00 C ATOM 817 CD GLU A 56 -2.257 -20.765 -12.964 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.830 -20.940 -11.801 1.00 0.00 O ATOM 819 OE2 GLU A 56 -3.479 -20.698 -13.221 1.00 0.00 O ATOM 0 H GLU A 56 2.198 -18.794 -14.311 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.539 -18.139 -14.535 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.882 -20.405 -14.324 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.316 -20.287 -12.669 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.696 -20.023 -14.900 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.055 -21.611 -14.530 1.00 0.00 H new ATOM 826 N GLU A 57 0.710 -17.754 -11.465 1.00 0.00 N ATOM 827 CA GLU A 57 0.456 -17.215 -10.102 1.00 0.00 C ATOM 828 C GLU A 57 0.361 -15.667 -10.180 1.00 0.00 C ATOM 829 O GLU A 57 -0.410 -15.043 -9.441 1.00 0.00 O ATOM 830 CB GLU A 57 1.537 -17.702 -9.094 1.00 0.00 C ATOM 831 CG GLU A 57 1.420 -17.223 -7.625 1.00 0.00 C ATOM 832 CD GLU A 57 2.406 -17.894 -6.664 1.00 0.00 C ATOM 833 OE1 GLU A 57 2.441 -19.144 -6.610 1.00 0.00 O ATOM 834 OE2 GLU A 57 3.148 -17.176 -5.958 1.00 0.00 O ATOM 0 H GLU A 57 1.642 -18.152 -11.581 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.494 -17.595 -9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.528 -18.792 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.511 -17.392 -9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.576 -16.145 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.405 -17.409 -7.274 1.00 0.00 H new ATOM 841 N LEU A 58 1.178 -15.062 -11.062 1.00 0.00 N ATOM 842 CA LEU A 58 1.283 -13.584 -11.189 1.00 0.00 C ATOM 843 C LEU A 58 -0.102 -13.016 -11.607 1.00 0.00 C ATOM 844 O LEU A 58 -0.488 -11.922 -11.180 1.00 0.00 O ATOM 845 CB LEU A 58 2.428 -13.249 -12.188 1.00 0.00 C ATOM 846 CG LEU A 58 3.715 -12.616 -11.587 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.935 -12.918 -12.480 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.594 -11.093 -11.367 1.00 0.00 C ATOM 0 H LEU A 58 1.782 -15.573 -11.705 1.00 0.00 H new ATOM 0 HA LEU A 58 1.542 -13.110 -10.242 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.709 -14.167 -12.704 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.034 -12.568 -12.942 1.00 0.00 H new ATOM 0 HG LEU A 58 3.852 -13.073 -10.607 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.826 -12.467 -12.043 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.073 -13.997 -12.554 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.769 -12.504 -13.475 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.524 -10.711 -10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.399 -10.602 -12.320 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.774 -10.889 -10.679 1.00 0.00 H new ATOM 860 N ASP A 59 -0.839 -13.789 -12.426 1.00 0.00 N ATOM 861 CA ASP A 59 -2.148 -13.362 -12.988 1.00 0.00 C ATOM 862 C ASP A 59 -3.096 -12.993 -11.816 1.00 0.00 C ATOM 863 O ASP A 59 -3.873 -12.034 -11.908 1.00 0.00 O ATOM 864 CB ASP A 59 -2.750 -14.446 -13.928 1.00 0.00 C ATOM 865 CG ASP A 59 -4.109 -14.109 -14.566 1.00 0.00 C ATOM 866 OD1 ASP A 59 -5.126 -14.071 -13.839 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.162 -13.890 -15.796 1.00 0.00 O ATOM 0 H ASP A 59 -0.552 -14.723 -12.720 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.009 -12.480 -13.613 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.035 -14.643 -14.727 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.857 -15.371 -13.361 1.00 0.00 H new ATOM 872 N ALA A 60 -3.040 -13.786 -10.729 1.00 0.00 N ATOM 873 CA ALA A 60 -3.937 -13.617 -9.555 1.00 0.00 C ATOM 874 C ALA A 60 -3.435 -12.444 -8.669 1.00 0.00 C ATOM 875 O ALA A 60 -4.237 -11.724 -8.062 1.00 0.00 O ATOM 876 CB ALA A 60 -4.000 -14.944 -8.773 1.00 0.00 C ATOM 0 H ALA A 60 -2.380 -14.558 -10.634 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.946 -13.367 -9.883 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.656 -14.827 -7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.388 -15.730 -9.421 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.000 -15.214 -8.434 1.00 0.00 H new ATOM 882 N ILE A 61 -2.100 -12.291 -8.588 1.00 0.00 N ATOM 883 CA ILE A 61 -1.449 -11.192 -7.827 1.00 0.00 C ATOM 884 C ILE A 61 -2.095 -9.872 -8.333 1.00 0.00 C ATOM 885 O ILE A 61 -2.375 -8.964 -7.539 1.00 0.00 O ATOM 886 CB ILE A 61 0.121 -11.246 -7.938 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.787 -11.973 -6.727 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.754 -9.841 -8.128 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.869 -11.177 -5.979 1.00 0.00 C ATOM 0 H ILE A 61 -1.439 -12.920 -9.044 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.619 -11.282 -6.754 1.00 0.00 H new ATOM 0 HB ILE A 61 0.323 -11.833 -8.834 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.006 -12.244 -6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.229 -12.903 -7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.837 -9.937 -8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.369 -9.389 -9.042 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.500 -9.209 -7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.261 -11.778 -5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.678 -10.928 -6.666 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.436 -10.259 -5.581 1.00 0.00 H new ATOM 901 N ILE A 62 -2.324 -9.784 -9.657 1.00 0.00 N ATOM 902 CA ILE A 62 -2.841 -8.558 -10.324 1.00 0.00 C ATOM 903 C ILE A 62 -4.369 -8.522 -10.043 1.00 0.00 C ATOM 904 O ILE A 62 -4.953 -7.443 -9.883 1.00 0.00 O ATOM 905 CB ILE A 62 -2.444 -8.505 -11.847 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.946 -8.123 -12.067 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.360 -7.559 -12.669 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.611 -7.477 -13.422 1.00 0.00 C ATOM 0 H ILE A 62 -2.158 -10.557 -10.301 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.387 -7.651 -9.924 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.589 -9.521 -12.214 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.646 -7.437 -11.275 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.341 -9.023 -11.956 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.042 -7.560 -13.712 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.392 -7.904 -12.604 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.290 -6.547 -12.270 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.455 -7.254 -13.465 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.871 -8.165 -14.227 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.180 -6.554 -13.536 1.00 0.00 H new ATOM 920 N GLU A 63 -5.004 -9.710 -10.014 1.00 0.00 N ATOM 921 CA GLU A 63 -6.464 -9.843 -9.757 1.00 0.00 C ATOM 922 C GLU A 63 -6.823 -8.988 -8.511 1.00 0.00 C ATOM 923 O GLU A 63 -7.931 -8.445 -8.417 1.00 0.00 O ATOM 924 CB GLU A 63 -6.860 -11.342 -9.617 1.00 0.00 C ATOM 925 CG GLU A 63 -8.351 -11.686 -9.847 1.00 0.00 C ATOM 926 CD GLU A 63 -8.636 -13.187 -9.967 1.00 0.00 C ATOM 927 OE1 GLU A 63 -7.778 -13.926 -10.498 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.719 -13.634 -9.529 1.00 0.00 O ATOM 0 H GLU A 63 -4.531 -10.601 -10.166 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.044 -9.465 -10.599 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.264 -11.920 -10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.583 -11.676 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.938 -11.281 -9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.692 -11.189 -10.755 1.00 0.00 H new ATOM 935 N GLU A 64 -5.872 -8.882 -7.566 1.00 0.00 N ATOM 936 CA GLU A 64 -6.024 -8.037 -6.353 1.00 0.00 C ATOM 937 C GLU A 64 -6.199 -6.560 -6.803 1.00 0.00 C ATOM 938 O GLU A 64 -7.212 -5.921 -6.493 1.00 0.00 O ATOM 939 CB GLU A 64 -4.823 -8.257 -5.389 1.00 0.00 C ATOM 940 CG GLU A 64 -4.215 -6.990 -4.741 1.00 0.00 C ATOM 941 CD GLU A 64 -3.433 -7.258 -3.451 1.00 0.00 C ATOM 942 OE1 GLU A 64 -3.020 -8.416 -3.223 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.226 -6.310 -2.661 1.00 0.00 O ATOM 0 H GLU A 64 -4.980 -9.373 -7.614 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.912 -8.317 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.144 -8.927 -4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.034 -8.771 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.553 -6.510 -5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.018 -6.285 -4.526 1.00 0.00 H new ATOM 950 N VAL A 65 -5.200 -6.038 -7.539 1.00 0.00 N ATOM 951 CA VAL A 65 -5.160 -4.613 -7.964 1.00 0.00 C ATOM 952 C VAL A 65 -5.570 -4.561 -9.461 1.00 0.00 C ATOM 953 O VAL A 65 -4.725 -4.344 -10.339 1.00 0.00 O ATOM 954 CB VAL A 65 -3.767 -3.951 -7.666 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.690 -2.445 -8.020 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.325 -4.121 -6.192 1.00 0.00 C ATOM 0 H VAL A 65 -4.399 -6.583 -7.858 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.866 -4.017 -7.385 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.088 -4.494 -8.323 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.696 -2.066 -7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.886 -2.311 -9.084 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.434 -1.897 -7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.356 -3.644 -6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.061 -3.657 -5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.246 -5.182 -5.956 1.00 0.00 H new ATOM 966 N ASP A 66 -6.872 -4.763 -9.739 1.00 0.00 N ATOM 967 CA ASP A 66 -7.417 -4.744 -11.123 1.00 0.00 C ATOM 968 C ASP A 66 -8.966 -4.811 -11.047 1.00 0.00 C ATOM 969 O ASP A 66 -9.580 -5.816 -11.430 1.00 0.00 O ATOM 970 CB ASP A 66 -6.806 -5.879 -11.995 1.00 0.00 C ATOM 971 CG ASP A 66 -6.657 -5.573 -13.495 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.688 -5.465 -14.196 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.509 -5.449 -13.977 1.00 0.00 O ATOM 0 H ASP A 66 -7.575 -4.943 -9.023 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.134 -3.815 -11.619 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.822 -6.127 -11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.427 -6.768 -11.886 1.00 0.00 H new ATOM 978 N GLU A 67 -9.583 -3.743 -10.510 1.00 0.00 N ATOM 979 CA GLU A 67 -11.052 -3.629 -10.322 1.00 0.00 C ATOM 980 C GLU A 67 -11.696 -3.052 -11.614 1.00 0.00 C ATOM 981 O GLU A 67 -12.675 -2.280 -11.555 1.00 0.00 O ATOM 982 CB GLU A 67 -11.357 -2.779 -9.051 1.00 0.00 C ATOM 983 CG GLU A 67 -12.647 -3.137 -8.276 1.00 0.00 C ATOM 984 CD GLU A 67 -12.777 -4.622 -7.926 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.044 -5.099 -7.031 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.613 -5.319 -8.543 1.00 0.00 O ATOM 0 H GLU A 67 -9.074 -2.920 -10.188 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.495 -4.611 -10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.512 -2.870 -8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.416 -1.732 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.678 -2.554 -7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.510 -2.839 -8.871 1.00 0.00 H new ATOM 993 N ASP A 68 -11.176 -3.443 -12.793 1.00 0.00 N ATOM 994 CA ASP A 68 -11.654 -2.946 -14.112 1.00 0.00 C ATOM 995 C ASP A 68 -11.767 -4.149 -15.085 1.00 0.00 C ATOM 996 O ASP A 68 -12.771 -4.308 -15.791 1.00 0.00 O ATOM 997 CB ASP A 68 -10.741 -1.812 -14.663 1.00 0.00 C ATOM 998 CG ASP A 68 -9.309 -1.763 -14.103 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.463 -2.580 -14.529 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.027 -0.902 -13.241 1.00 0.00 O ATOM 0 H ASP A 68 -10.411 -4.114 -12.865 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.640 -2.496 -14.000 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.682 -1.915 -15.747 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.222 -0.855 -14.459 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.725 -5.006 -15.106 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.695 -6.210 -15.976 1.00 0.00 C ATOM 1007 C GLY A 69 -9.834 -5.939 -17.237 1.00 0.00 C ATOM 1008 O GLY A 69 -10.108 -6.480 -18.316 1.00 0.00 O ATOM 0 H GLY A 69 -9.890 -4.890 -14.531 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.287 -7.057 -15.424 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.709 -6.480 -16.270 1.00 0.00 H new ATOM 1012 N SER A 70 -8.796 -5.097 -17.079 1.00 0.00 N ATOM 1013 CA SER A 70 -7.897 -4.689 -18.190 1.00 0.00 C ATOM 1014 C SER A 70 -6.792 -5.759 -18.394 1.00 0.00 C ATOM 1015 O SER A 70 -6.437 -6.105 -19.527 1.00 0.00 O ATOM 1016 CB SER A 70 -7.312 -3.289 -17.891 1.00 0.00 C ATOM 1017 OG SER A 70 -6.684 -3.249 -16.614 1.00 0.00 O ATOM 0 H SER A 70 -8.552 -4.678 -16.182 1.00 0.00 H new ATOM 0 HA SER A 70 -8.457 -4.621 -19.123 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.589 -3.023 -18.662 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.108 -2.545 -17.930 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.229 -6.260 -17.275 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.138 -7.265 -17.307 1.00 0.00 C ATOM 1025 C GLY A 71 -3.769 -6.582 -17.054 1.00 0.00 C ATOM 1026 O GLY A 71 -2.859 -7.185 -16.470 1.00 0.00 O ATOM 0 H GLY A 71 -6.511 -5.986 -16.334 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.316 -8.029 -16.550 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.127 -7.769 -18.273 1.00 0.00 H new ATOM 1030 N THR A 72 -3.644 -5.318 -17.502 1.00 0.00 N ATOM 1031 CA THR A 72 -2.397 -4.520 -17.371 1.00 0.00 C ATOM 1032 C THR A 72 -2.562 -3.527 -16.187 1.00 0.00 C ATOM 1033 O THR A 72 -3.569 -3.564 -15.467 1.00 0.00 O ATOM 1034 CB THR A 72 -2.012 -3.808 -18.706 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.113 -3.056 -19.211 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.519 -4.741 -19.828 1.00 0.00 C ATOM 0 H THR A 72 -4.401 -4.816 -17.966 1.00 0.00 H new ATOM 0 HA THR A 72 -1.562 -5.187 -17.154 1.00 0.00 H new ATOM 0 HB THR A 72 -1.174 -3.167 -18.433 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.003 -2.113 -18.969 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.277 -4.151 -20.712 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.629 -5.274 -19.493 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.301 -5.459 -20.074 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.575 -2.630 -16.010 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.578 -1.609 -14.927 1.00 0.00 C ATOM 1046 C ILE A 73 -1.083 -0.288 -15.577 1.00 0.00 C ATOM 1047 O ILE A 73 0.125 -0.040 -15.662 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.751 -2.081 -13.672 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.362 -3.345 -12.987 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.560 -0.950 -12.625 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.100 -3.483 -11.478 1.00 0.00 C ATOM 0 H ILE A 73 -0.750 -2.586 -16.609 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.575 -1.450 -14.515 1.00 0.00 H new ATOM 0 HB ILE A 73 0.230 -2.352 -14.063 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.440 -3.338 -13.150 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.970 -4.231 -13.487 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.016 -1.329 -11.781 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.027 -0.116 -13.083 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.535 -0.610 -12.275 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.570 -4.395 -11.109 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.026 -3.529 -11.298 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.519 -2.623 -10.956 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.032 0.538 -16.059 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.722 1.837 -16.715 1.00 0.00 C ATOM 1065 C ASP A 74 -1.393 2.896 -15.625 1.00 0.00 C ATOM 1066 O ASP A 74 -1.544 2.647 -14.421 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.876 2.291 -17.657 1.00 0.00 C ATOM 1068 CG ASP A 74 -3.566 1.179 -18.465 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.028 0.051 -18.523 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -4.643 1.433 -19.048 1.00 0.00 O ATOM 0 H ASP A 74 -3.030 0.332 -16.009 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.846 1.719 -17.353 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.631 2.797 -17.055 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.479 3.027 -18.356 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.969 4.094 -16.069 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.667 5.235 -15.162 1.00 0.00 C ATOM 1077 C PHE A 75 -1.951 5.624 -14.380 1.00 0.00 C ATOM 1078 O PHE A 75 -1.866 6.187 -13.279 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.091 6.436 -15.970 1.00 0.00 C ATOM 1080 CG PHE A 75 0.773 7.423 -15.160 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.820 7.339 -13.763 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.521 8.411 -15.812 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.600 8.232 -13.031 1.00 0.00 C ATOM 1084 CE2 PHE A 75 2.299 9.303 -15.077 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.333 9.216 -13.688 1.00 0.00 C ATOM 0 H PHE A 75 -0.825 4.305 -17.056 1.00 0.00 H new ATOM 0 HA PHE A 75 0.095 4.941 -14.441 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.508 6.045 -16.792 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.921 6.985 -16.414 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.249 6.579 -13.251 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.495 8.482 -16.889 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.636 8.161 -11.954 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.876 10.062 -15.585 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.930 9.914 -13.119 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.131 5.349 -14.966 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.442 5.731 -14.379 1.00 0.00 C ATOM 1097 C GLU A 76 -4.975 4.558 -13.511 1.00 0.00 C ATOM 1098 O GLU A 76 -6.159 4.208 -13.582 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.449 6.162 -15.485 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.399 7.629 -15.979 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.496 7.989 -16.987 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.507 7.418 -18.100 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -7.353 8.843 -16.668 1.00 0.00 O ATOM 0 H GLU A 76 -3.209 4.858 -15.857 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.314 6.600 -13.733 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.296 5.513 -16.348 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.456 5.968 -15.115 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.479 8.293 -15.119 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.427 7.814 -16.435 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.076 3.955 -12.710 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.418 2.839 -11.788 1.00 0.00 C ATOM 1112 C GLU A 77 -3.304 2.699 -10.715 1.00 0.00 C ATOM 1113 O GLU A 77 -3.592 2.482 -9.531 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.645 1.505 -12.557 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.524 0.204 -11.729 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.029 -1.033 -12.475 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -4.891 -1.088 -13.718 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.566 -1.956 -11.825 1.00 0.00 O ATOM 0 H GLU A 77 -3.092 4.222 -12.679 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.360 3.071 -11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.638 1.534 -13.005 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.927 1.457 -13.376 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.481 0.053 -11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.087 0.317 -10.802 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.035 2.820 -11.147 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.855 2.706 -10.250 1.00 0.00 C ATOM 1127 C PHE A 78 -0.984 3.760 -9.117 1.00 0.00 C ATOM 1128 O PHE A 78 -0.591 3.508 -7.972 1.00 0.00 O ATOM 1129 CB PHE A 78 0.467 2.863 -11.063 1.00 0.00 C ATOM 1130 CG PHE A 78 1.753 2.473 -10.305 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.363 3.387 -9.438 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.295 1.189 -10.436 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.519 3.037 -8.746 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.454 0.842 -9.747 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.066 1.766 -8.903 1.00 0.00 C ATOM 0 H PHE A 78 -1.793 2.999 -12.122 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.821 1.717 -9.794 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.396 2.253 -11.964 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.555 3.900 -11.387 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.934 4.369 -9.305 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.812 0.464 -11.074 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.991 3.751 -8.088 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.879 -0.144 -9.867 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.966 1.496 -8.370 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.511 4.949 -9.465 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.604 6.102 -8.531 1.00 0.00 C ATOM 1147 C LEU A 79 -2.643 5.757 -7.429 1.00 0.00 C ATOM 1148 O LEU A 79 -2.469 6.127 -6.261 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.985 7.406 -9.296 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.967 7.948 -10.341 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.606 9.033 -11.231 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.317 8.497 -9.687 1.00 0.00 C ATOM 0 H LEU A 79 -1.884 5.143 -10.394 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.636 6.285 -8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.932 7.232 -9.807 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.160 8.190 -8.559 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.685 7.097 -10.961 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.871 9.392 -11.951 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.459 8.611 -11.763 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.941 9.863 -10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.992 8.862 -10.461 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.061 9.315 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.807 7.703 -9.124 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.704 5.021 -7.811 1.00 0.00 N ATOM 1165 CA VAL A 80 -4.793 4.613 -6.884 1.00 0.00 C ATOM 1166 C VAL A 80 -4.169 3.690 -5.802 1.00 0.00 C ATOM 1167 O VAL A 80 -4.535 3.765 -4.622 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.001 3.965 -7.649 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -6.793 2.960 -6.778 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.005 4.988 -8.236 1.00 0.00 C ATOM 0 H VAL A 80 -3.836 4.690 -8.767 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.226 5.484 -6.392 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.520 3.443 -8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.616 2.544 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.131 2.155 -6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.190 3.472 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.808 4.457 -8.748 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.424 5.590 -7.430 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.490 5.637 -8.944 1.00 0.00 H new ATOM 1180 N MET A 81 -3.207 2.844 -6.216 1.00 0.00 N ATOM 1181 CA MET A 81 -2.513 1.887 -5.313 1.00 0.00 C ATOM 1182 C MET A 81 -1.752 2.702 -4.231 1.00 0.00 C ATOM 1183 O MET A 81 -2.098 2.652 -3.045 1.00 0.00 O ATOM 1184 CB MET A 81 -1.568 0.942 -6.108 1.00 0.00 C ATOM 1185 CG MET A 81 -1.404 -0.479 -5.537 1.00 0.00 C ATOM 1186 SD MET A 81 0.036 -1.282 -6.276 1.00 0.00 S ATOM 1187 CE MET A 81 0.090 -2.831 -5.351 1.00 0.00 C ATOM 0 H MET A 81 -2.885 2.799 -7.183 1.00 0.00 H new ATOM 0 HA MET A 81 -3.242 1.240 -4.826 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.941 0.862 -7.129 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.584 1.407 -6.163 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.289 -0.433 -4.454 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.300 -1.066 -5.738 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.067 -2.940 -4.880 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.684 -2.824 -4.583 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.081 -3.666 -6.030 1.00 0.00 H new ATOM 1197 N MET A 82 -0.696 3.420 -4.658 1.00 0.00 N ATOM 1198 CA MET A 82 0.207 4.162 -3.738 1.00 0.00 C ATOM 1199 C MET A 82 -0.639 5.011 -2.749 1.00 0.00 C ATOM 1200 O MET A 82 -0.239 5.221 -1.597 1.00 0.00 O ATOM 1201 CB MET A 82 1.201 5.032 -4.557 1.00 0.00 C ATOM 1202 CG MET A 82 2.544 4.363 -4.907 1.00 0.00 C ATOM 1203 SD MET A 82 3.721 4.511 -3.542 1.00 0.00 S ATOM 1204 CE MET A 82 5.099 3.510 -4.138 1.00 0.00 C ATOM 0 H MET A 82 -0.440 3.506 -5.642 1.00 0.00 H new ATOM 0 HA MET A 82 0.799 3.460 -3.150 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.713 5.332 -5.484 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.406 5.943 -3.995 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.380 3.310 -5.137 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.961 4.824 -5.802 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.898 3.512 -3.396 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.761 2.487 -4.304 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.472 3.925 -5.074 1.00 0.00 H new ATOM 1214 N VAL A 83 -1.800 5.502 -3.221 1.00 0.00 N ATOM 1215 CA VAL A 83 -2.672 6.425 -2.446 1.00 0.00 C ATOM 1216 C VAL A 83 -3.221 5.637 -1.225 1.00 0.00 C ATOM 1217 O VAL A 83 -3.108 6.088 -0.077 1.00 0.00 O ATOM 1218 CB VAL A 83 -3.793 7.065 -3.341 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.202 6.953 -2.709 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.546 8.550 -3.704 1.00 0.00 C ATOM 0 H VAL A 83 -2.165 5.275 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.101 7.280 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.748 6.475 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.936 7.412 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.453 5.902 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.211 7.466 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.366 8.914 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.489 9.143 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.609 8.639 -4.254 1.00 0.00 H new ATOM 1230 N ARG A 84 -3.841 4.473 -1.494 1.00 0.00 N ATOM 1231 CA ARG A 84 -4.523 3.648 -0.461 1.00 0.00 C ATOM 1232 C ARG A 84 -3.495 3.323 0.657 1.00 0.00 C ATOM 1233 O ARG A 84 -3.848 3.265 1.842 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.104 2.351 -1.091 1.00 0.00 C ATOM 1235 CG ARG A 84 -6.600 2.423 -1.475 1.00 0.00 C ATOM 1236 CD ARG A 84 -6.997 1.366 -2.524 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.774 0.254 -1.920 1.00 0.00 N ATOM 1238 CZ ARG A 84 -9.019 -0.105 -2.295 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.888 0.793 -2.736 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -9.424 -1.364 -2.198 1.00 0.00 N ATOM 0 H ARG A 84 -3.887 4.072 -2.431 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.362 4.197 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.527 2.109 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.964 1.530 -0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.207 2.287 -0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.824 3.416 -1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.588 1.837 -3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.099 0.967 -2.996 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.335 -0.276 -1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.620 1.775 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.825 0.502 -3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.791 -2.077 -1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.369 -1.619 -2.486 1.00 0.00 H new ATOM 1254 N GLN A 85 -2.232 3.084 0.259 1.00 0.00 N ATOM 1255 CA GLN A 85 -1.155 2.650 1.188 1.00 0.00 C ATOM 1256 C GLN A 85 -0.760 3.853 2.087 1.00 0.00 C ATOM 1257 O GLN A 85 -0.420 3.677 3.264 1.00 0.00 O ATOM 1258 CB GLN A 85 0.052 2.085 0.385 1.00 0.00 C ATOM 1259 CG GLN A 85 0.035 0.561 0.109 1.00 0.00 C ATOM 1260 CD GLN A 85 1.022 -0.253 0.963 1.00 0.00 C ATOM 1261 OE1 GLN A 85 1.822 0.302 1.717 1.00 0.00 O ATOM 1262 NE2 GLN A 85 0.991 -1.574 0.869 1.00 0.00 N ATOM 0 H GLN A 85 -1.923 3.183 -0.708 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.506 1.844 1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.102 2.606 -0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.967 2.325 0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.973 0.184 0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.261 0.393 -0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.325 -2.025 0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.633 -2.140 1.424 1.00 0.00 H new ATOM 1271 N MET A 86 -0.826 5.070 1.519 1.00 0.00 N ATOM 1272 CA MET A 86 -0.397 6.318 2.204 1.00 0.00 C ATOM 1273 C MET A 86 -1.312 6.521 3.442 1.00 0.00 C ATOM 1274 O MET A 86 -0.828 6.813 4.543 1.00 0.00 O ATOM 1275 CB MET A 86 -0.429 7.531 1.225 1.00 0.00 C ATOM 1276 CG MET A 86 -1.618 8.490 1.424 1.00 0.00 C ATOM 1277 SD MET A 86 -1.327 10.058 0.584 1.00 0.00 S ATOM 1278 CE MET A 86 -2.448 9.924 -0.824 1.00 0.00 C ATOM 0 H MET A 86 -1.177 5.224 0.574 1.00 0.00 H new ATOM 0 HA MET A 86 0.637 6.238 2.539 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.497 8.095 1.337 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.451 7.154 0.202 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.529 8.031 1.040 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.774 8.666 2.488 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.803 10.916 -1.102 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.921 9.478 -1.667 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.298 9.297 -0.554 1.00 0.00 H new ATOM 1288 N LYS A 87 -2.632 6.340 3.246 1.00 0.00 N ATOM 1289 CA LYS A 87 -3.653 6.574 4.302 1.00 0.00 C ATOM 1290 C LYS A 87 -3.254 5.752 5.558 1.00 0.00 C ATOM 1291 O LYS A 87 -3.019 6.316 6.634 1.00 0.00 O ATOM 1292 CB LYS A 87 -5.079 6.167 3.834 1.00 0.00 C ATOM 1293 CG LYS A 87 -5.846 7.240 3.027 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.348 7.359 3.360 1.00 0.00 C ATOM 1295 CE LYS A 87 -7.736 8.616 4.165 1.00 0.00 C ATOM 1296 NZ LYS A 87 -7.698 8.361 5.615 1.00 0.00 N ATOM 0 H LYS A 87 -3.026 6.029 2.358 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.683 7.640 4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.999 5.267 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.670 5.906 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.374 8.207 3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.742 7.018 1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.914 7.353 2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.652 6.476 3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.055 9.431 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.736 8.939 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.964 9.226 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.366 7.600 5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.737 8.076 5.892 1.00 0.00 H new ATOM 1310 N GLU A 88 -3.183 4.417 5.402 1.00 0.00 N ATOM 1311 CA GLU A 88 -2.815 3.489 6.505 1.00 0.00 C ATOM 1312 C GLU A 88 -3.925 3.552 7.589 1.00 0.00 C ATOM 1313 O GLU A 88 -3.637 3.529 8.791 1.00 0.00 O ATOM 1314 CB GLU A 88 -1.396 3.827 7.045 1.00 0.00 C ATOM 1315 CG GLU A 88 -0.713 2.746 7.917 1.00 0.00 C ATOM 1316 CD GLU A 88 0.052 3.303 9.122 1.00 0.00 C ATOM 1317 OE1 GLU A 88 0.589 4.429 9.031 1.00 0.00 O ATOM 1318 OE2 GLU A 88 0.123 2.614 10.164 1.00 0.00 O ATOM 0 H GLU A 88 -3.376 3.947 4.518 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.757 2.460 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.748 4.038 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.463 4.745 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.472 2.049 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.023 2.176 7.295 1.00 0.00 H new ATOM 1325 N ASP A 89 -5.193 3.603 7.141 1.00 0.00 N ATOM 1326 CA ASP A 89 -6.376 3.617 8.043 1.00 0.00 C ATOM 1327 C ASP A 89 -6.156 4.699 9.134 1.00 0.00 C ATOM 1328 O ASP A 89 -6.491 4.493 10.306 1.00 0.00 O ATOM 1329 CB ASP A 89 -6.657 2.209 8.643 1.00 0.00 C ATOM 1330 CG ASP A 89 -5.422 1.347 8.955 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -4.874 1.457 10.074 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -5.003 0.553 8.084 1.00 0.00 O ATOM 0 H ASP A 89 -5.433 3.636 6.150 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.269 3.874 7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.228 2.336 9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.291 1.660 7.947 1.00 0.00 H new ATOM 1337 N ALA A 90 -5.562 5.838 8.732 1.00 0.00 N ATOM 1338 CA ALA A 90 -5.280 6.975 9.649 1.00 0.00 C ATOM 1339 C ALA A 90 -6.598 7.719 9.935 1.00 0.00 C ATOM 1340 O ALA A 90 -6.817 8.127 11.118 1.00 0.00 O ATOM 1341 CB ALA A 90 -4.205 7.906 9.052 1.00 0.00 C ATOM 1342 OXT ALA A 90 -7.433 7.913 8.998 1.00 0.00 O ATOM 0 H ALA A 90 -5.263 6.003 7.771 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.879 6.603 10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.015 8.730 9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.284 7.345 8.895 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.555 8.302 8.099 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.851 -2.338 -20.501 1.00 0.00 CA HETATM 1350 CA CA A 92 -5.910 -3.219 -14.164 1.00 0.00 CA