USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 714 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 3 THR OG1 : rot 107:sc= 0.856 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0.671 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.26 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= -0.276 (180deg=-0.85) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 36 THR OG1 : rot -6:sc= -0.968 USER MOD Single : A 38 GLN : amide:sc= -0.607 K(o=-0.61,f=-0.1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot -164:sc= 1.31 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -2.45 K(o=-2.4,f=-3.2!) USER MOD Single : A 59 CYS SG : rot -37:sc= -0.629 USER MOD Single : A 60 HIS : no HE2:sc= -0.867 K(o=-0.87,f=-1.7) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 52:sc= -0.192 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00908) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 47:sc= 1.27 USER MOD Single : A 86 HIS : no HD1:sc= -0.841 X(o=-0.84,f=-0.63) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 1.123 -6.179 11.343 1.00 0.00 N ATOM 21 CA LEU A 2 2.135 -6.873 10.553 1.00 0.00 C ATOM 22 C LEU A 2 3.329 -5.966 10.280 1.00 0.00 C ATOM 23 O LEU A 2 3.186 -4.747 10.185 1.00 0.00 O ATOM 24 CB LEU A 2 1.535 -7.357 9.230 1.00 0.00 C ATOM 25 CG LEU A 2 0.118 -7.927 9.331 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.913 -6.829 9.119 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.078 -9.047 8.320 1.00 0.00 C ATOM 0 HA LEU A 2 2.479 -7.734 11.126 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.526 -6.524 8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.189 -8.122 8.810 1.00 0.00 H new ATOM 0 HG LEU A 2 -0.019 -8.339 10.331 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.915 -7.251 9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.786 -6.059 9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.778 -6.389 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.091 -9.441 8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.077 -8.659 7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.639 -9.844 8.516 1.00 0.00 H new ATOM 39 N THR A 3 4.508 -6.567 10.155 1.00 0.00 N ATOM 40 CA THR A 3 5.728 -5.812 9.893 1.00 0.00 C ATOM 41 C THR A 3 5.623 -5.050 8.576 1.00 0.00 C ATOM 42 O THR A 3 4.576 -5.052 7.929 1.00 0.00 O ATOM 43 CB THR A 3 6.938 -6.747 9.858 1.00 0.00 C ATOM 44 OG1 THR A 3 6.628 -7.996 10.452 1.00 0.00 O ATOM 45 CG2 THR A 3 8.147 -6.187 10.577 1.00 0.00 C ATOM 0 H THR A 3 4.644 -7.575 10.231 1.00 0.00 H new ATOM 0 HA THR A 3 5.859 -5.092 10.701 1.00 0.00 H new ATOM 0 HB THR A 3 7.181 -6.862 8.802 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.547 -8.679 9.754 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.970 -6.899 10.515 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.444 -5.247 10.111 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.899 -6.011 11.624 1.00 0.00 H new ATOM 53 N ILE A 4 6.714 -4.402 8.185 1.00 0.00 N ATOM 54 CA ILE A 4 6.745 -3.637 6.948 1.00 0.00 C ATOM 55 C ILE A 4 7.975 -3.987 6.116 1.00 0.00 C ATOM 56 O ILE A 4 9.109 -3.832 6.570 1.00 0.00 O ATOM 57 CB ILE A 4 6.742 -2.122 7.227 1.00 0.00 C ATOM 58 CG1 ILE A 4 5.604 -1.760 8.182 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.617 -1.346 5.926 1.00 0.00 C ATOM 60 CD1 ILE A 4 5.995 -1.829 9.642 1.00 0.00 C ATOM 0 H ILE A 4 7.589 -4.392 8.709 1.00 0.00 H new ATOM 0 HA ILE A 4 5.846 -3.899 6.390 1.00 0.00 H new ATOM 0 HB ILE A 4 7.686 -1.851 7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.256 -0.752 7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.765 -2.434 8.007 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.616 -0.277 6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.459 -1.586 5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.686 -1.618 5.428 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.139 -1.560 10.261 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.315 -2.842 9.886 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.813 -1.135 9.833 1.00 0.00 H new ATOM 72 N GLU A 5 7.743 -4.456 4.894 1.00 0.00 N ATOM 73 CA GLU A 5 8.831 -4.825 3.995 1.00 0.00 C ATOM 74 C GLU A 5 8.801 -3.971 2.731 1.00 0.00 C ATOM 75 O GLU A 5 7.824 -3.269 2.468 1.00 0.00 O ATOM 76 CB GLU A 5 8.737 -6.308 3.627 1.00 0.00 C ATOM 77 CG GLU A 5 9.527 -7.215 4.557 1.00 0.00 C ATOM 78 CD GLU A 5 11.018 -6.944 4.508 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.540 -6.686 3.403 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.664 -6.990 5.575 1.00 0.00 O ATOM 0 H GLU A 5 6.810 -4.590 4.503 1.00 0.00 H new ATOM 0 HA GLU A 5 9.774 -4.647 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.690 -6.612 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.097 -6.445 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.171 -7.081 5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.341 -8.255 4.288 1.00 0.00 H new ATOM 87 N THR A 6 9.875 -4.035 1.951 1.00 0.00 N ATOM 88 CA THR A 6 9.967 -3.265 0.716 1.00 0.00 C ATOM 89 C THR A 6 10.663 -4.068 -0.377 1.00 0.00 C ATOM 90 O THR A 6 11.501 -4.925 -0.097 1.00 0.00 O ATOM 91 CB THR A 6 10.719 -1.956 0.960 1.00 0.00 C ATOM 92 OG1 THR A 6 12.004 -2.208 1.502 1.00 0.00 O ATOM 93 CG2 THR A 6 9.998 -1.019 1.905 1.00 0.00 C ATOM 0 H THR A 6 10.692 -4.611 2.152 1.00 0.00 H new ATOM 0 HA THR A 6 8.954 -3.037 0.385 1.00 0.00 H new ATOM 0 HB THR A 6 10.790 -1.478 -0.017 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.469 -1.358 1.649 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.585 -0.110 2.035 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.022 -0.765 1.491 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.866 -1.507 2.871 1.00 0.00 H new ATOM 101 N SER A 7 10.308 -3.785 -1.627 1.00 0.00 N ATOM 102 CA SER A 7 10.897 -4.479 -2.767 1.00 0.00 C ATOM 103 C SER A 7 11.755 -3.531 -3.600 1.00 0.00 C ATOM 104 O SER A 7 12.073 -2.423 -3.166 1.00 0.00 O ATOM 105 CB SER A 7 9.800 -5.090 -3.639 1.00 0.00 C ATOM 106 OG SER A 7 10.207 -6.339 -4.172 1.00 0.00 O ATOM 0 H SER A 7 9.615 -3.079 -1.876 1.00 0.00 H new ATOM 0 HA SER A 7 11.536 -5.275 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.893 -5.221 -3.049 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.555 -4.407 -4.452 1.00 0.00 H new ATOM 0 HG SER A 7 9.487 -6.709 -4.724 1.00 0.00 H new ATOM 112 N LYS A 8 12.124 -3.971 -4.798 1.00 0.00 N ATOM 113 CA LYS A 8 12.944 -3.161 -5.692 1.00 0.00 C ATOM 114 C LYS A 8 12.104 -2.088 -6.376 1.00 0.00 C ATOM 115 O LYS A 8 12.472 -0.913 -6.391 1.00 0.00 O ATOM 116 CB LYS A 8 13.616 -4.045 -6.745 1.00 0.00 C ATOM 117 CG LYS A 8 14.264 -5.293 -6.166 1.00 0.00 C ATOM 118 CD LYS A 8 15.780 -5.182 -6.158 1.00 0.00 C ATOM 119 CE LYS A 8 16.261 -4.194 -5.109 1.00 0.00 C ATOM 120 NZ LYS A 8 16.281 -4.794 -3.747 1.00 0.00 N ATOM 0 H LYS A 8 11.868 -4.885 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 8 13.713 -2.671 -5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.874 -4.341 -7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.374 -3.461 -7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.905 -5.452 -5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.965 -6.164 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.216 -6.162 -5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.128 -4.868 -7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.262 -3.849 -5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.611 -3.319 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.615 -4.087 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.321 -5.101 -3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.921 -5.614 -3.738 1.00 0.00 H new ATOM 134 N LYS A 9 10.974 -2.499 -6.941 1.00 0.00 N ATOM 135 CA LYS A 9 10.080 -1.573 -7.626 1.00 0.00 C ATOM 136 C LYS A 9 9.562 -0.505 -6.668 1.00 0.00 C ATOM 137 O LYS A 9 9.301 0.629 -7.070 1.00 0.00 O ATOM 138 CB LYS A 9 8.904 -2.332 -8.245 1.00 0.00 C ATOM 139 CG LYS A 9 9.325 -3.390 -9.254 1.00 0.00 C ATOM 140 CD LYS A 9 8.130 -3.937 -10.017 1.00 0.00 C ATOM 141 CE LYS A 9 8.457 -5.260 -10.691 1.00 0.00 C ATOM 142 NZ LYS A 9 7.896 -6.419 -9.942 1.00 0.00 N ATOM 0 H LYS A 9 10.655 -3.468 -6.938 1.00 0.00 H new ATOM 0 HA LYS A 9 10.645 -1.081 -8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.331 -2.808 -7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.240 -1.620 -8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.041 -2.961 -9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.833 -4.205 -8.738 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.292 -4.073 -9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.814 -3.213 -10.768 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.061 -5.258 -11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.539 -5.369 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.141 -7.302 -10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.293 -6.437 -8.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.861 -6.329 -9.887 1.00 0.00 H new ATOM 156 N PHE A 10 9.417 -0.875 -5.400 1.00 0.00 N ATOM 157 CA PHE A 10 8.929 0.051 -4.385 1.00 0.00 C ATOM 158 C PHE A 10 9.976 1.115 -4.069 1.00 0.00 C ATOM 159 O PHE A 10 9.667 2.306 -4.015 1.00 0.00 O ATOM 160 CB PHE A 10 8.557 -0.708 -3.110 1.00 0.00 C ATOM 161 CG PHE A 10 7.914 0.156 -2.062 1.00 0.00 C ATOM 162 CD1 PHE A 10 6.909 1.048 -2.402 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.311 0.074 -0.737 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.316 1.843 -1.441 1.00 0.00 C ATOM 165 CE2 PHE A 10 7.721 0.866 0.229 1.00 0.00 C ATOM 166 CZ PHE A 10 6.721 1.752 -0.124 1.00 0.00 C ATOM 0 H PHE A 10 9.630 -1.809 -5.051 1.00 0.00 H new ATOM 0 HA PHE A 10 8.041 0.546 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.877 -1.521 -3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.455 -1.163 -2.693 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.586 1.122 -3.430 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.091 -0.618 -0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.536 2.536 -1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.041 0.793 1.258 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.257 2.372 0.629 1.00 0.00 H new ATOM 176 N ASP A 11 11.213 0.679 -3.863 1.00 0.00 N ATOM 177 CA ASP A 11 12.306 1.595 -3.552 1.00 0.00 C ATOM 178 C ASP A 11 12.511 2.602 -4.680 1.00 0.00 C ATOM 179 O ASP A 11 12.671 3.797 -4.436 1.00 0.00 O ATOM 180 CB ASP A 11 13.598 0.814 -3.307 1.00 0.00 C ATOM 181 CG ASP A 11 13.875 0.604 -1.831 1.00 0.00 C ATOM 182 OD1 ASP A 11 12.905 0.554 -1.047 1.00 0.00 O ATOM 183 OD2 ASP A 11 15.063 0.489 -1.461 1.00 0.00 O ATOM 0 H ASP A 11 11.485 -0.303 -3.905 1.00 0.00 H new ATOM 0 HA ASP A 11 12.043 2.142 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.534 -0.154 -3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.434 1.349 -3.758 1.00 0.00 H new ATOM 188 N LYS A 12 12.508 2.110 -5.915 1.00 0.00 N ATOM 189 CA LYS A 12 12.695 2.968 -7.079 1.00 0.00 C ATOM 190 C LYS A 12 11.459 3.827 -7.342 1.00 0.00 C ATOM 191 O LYS A 12 11.523 4.808 -8.084 1.00 0.00 O ATOM 192 CB LYS A 12 13.013 2.122 -8.314 1.00 0.00 C ATOM 193 CG LYS A 12 11.886 1.188 -8.720 1.00 0.00 C ATOM 194 CD LYS A 12 12.355 0.154 -9.731 1.00 0.00 C ATOM 195 CE LYS A 12 11.296 -0.112 -10.788 1.00 0.00 C ATOM 196 NZ LYS A 12 11.672 -1.245 -11.678 1.00 0.00 N ATOM 0 H LYS A 12 12.378 1.123 -6.135 1.00 0.00 H new ATOM 0 HA LYS A 12 13.533 3.633 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.242 2.785 -9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.909 1.533 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.495 0.683 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.067 1.768 -9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.270 0.502 -10.211 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.598 -0.775 -9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.345 -0.332 -10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.147 0.786 -11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.924 -1.394 -12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.566 -1.025 -12.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.789 -2.108 -11.110 1.00 0.00 H new ATOM 210 N ASP A 13 10.336 3.455 -6.735 1.00 0.00 N ATOM 211 CA ASP A 13 9.092 4.196 -6.912 1.00 0.00 C ATOM 212 C ASP A 13 9.017 5.380 -5.954 1.00 0.00 C ATOM 213 O ASP A 13 8.384 6.394 -6.254 1.00 0.00 O ATOM 214 CB ASP A 13 7.891 3.274 -6.693 1.00 0.00 C ATOM 215 CG ASP A 13 7.433 2.606 -7.976 1.00 0.00 C ATOM 216 OD1 ASP A 13 7.589 3.219 -9.052 1.00 0.00 O ATOM 217 OD2 ASP A 13 6.918 1.471 -7.904 1.00 0.00 O ATOM 0 H ASP A 13 10.262 2.647 -6.118 1.00 0.00 H new ATOM 0 HA ASP A 13 9.071 4.578 -7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.152 2.509 -5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.067 3.849 -6.272 1.00 0.00 H new ATOM 222 N LEU A 14 9.661 5.247 -4.799 1.00 0.00 N ATOM 223 CA LEU A 14 9.662 6.310 -3.797 1.00 0.00 C ATOM 224 C LEU A 14 10.680 7.392 -4.146 1.00 0.00 C ATOM 225 O LEU A 14 10.442 8.578 -3.916 1.00 0.00 O ATOM 226 CB LEU A 14 9.967 5.734 -2.413 1.00 0.00 C ATOM 227 CG LEU A 14 9.048 4.596 -1.969 1.00 0.00 C ATOM 228 CD1 LEU A 14 9.757 3.701 -0.964 1.00 0.00 C ATOM 229 CD2 LEU A 14 7.762 5.151 -1.375 1.00 0.00 C ATOM 0 H LEU A 14 10.188 4.416 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 14 8.670 6.763 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.996 5.374 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.905 6.538 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 14 8.793 3.997 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.088 2.896 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.651 3.276 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.041 4.288 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.120 4.327 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.999 5.772 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.245 5.752 -2.123 1.00 0.00 H new ATOM 241 N LYS A 15 11.813 6.976 -4.701 1.00 0.00 N ATOM 242 CA LYS A 15 12.867 7.913 -5.080 1.00 0.00 C ATOM 243 C LYS A 15 12.353 8.944 -6.081 1.00 0.00 C ATOM 244 O LYS A 15 12.883 10.052 -6.170 1.00 0.00 O ATOM 245 CB LYS A 15 14.058 7.159 -5.676 1.00 0.00 C ATOM 246 CG LYS A 15 13.741 6.457 -6.987 1.00 0.00 C ATOM 247 CD LYS A 15 15.008 6.067 -7.734 1.00 0.00 C ATOM 248 CE LYS A 15 15.030 6.653 -9.138 1.00 0.00 C ATOM 249 NZ LYS A 15 16.372 6.528 -9.769 1.00 0.00 N ATOM 0 H LYS A 15 12.026 5.998 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 15 13.188 8.438 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.877 7.860 -5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.408 6.421 -4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.146 5.566 -6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.135 7.112 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.880 6.414 -7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.078 4.981 -7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.289 6.145 -9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.744 7.704 -9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.346 6.939 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.075 7.034 -9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.634 5.524 -9.831 1.00 0.00 H new ATOM 263 N ILE A 16 11.321 8.576 -6.831 1.00 0.00 N ATOM 264 CA ILE A 16 10.741 9.473 -7.824 1.00 0.00 C ATOM 265 C ILE A 16 9.711 10.404 -7.194 1.00 0.00 C ATOM 266 O ILE A 16 9.508 11.526 -7.660 1.00 0.00 O ATOM 267 CB ILE A 16 10.072 8.686 -8.969 1.00 0.00 C ATOM 268 CG1 ILE A 16 11.018 7.605 -9.493 1.00 0.00 C ATOM 269 CG2 ILE A 16 9.661 9.629 -10.088 1.00 0.00 C ATOM 270 CD1 ILE A 16 12.276 8.157 -10.128 1.00 0.00 C ATOM 0 H ILE A 16 10.869 7.664 -6.771 1.00 0.00 H new ATOM 0 HA ILE A 16 11.561 10.066 -8.229 1.00 0.00 H new ATOM 0 HB ILE A 16 9.176 8.200 -8.583 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.295 6.946 -8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.489 6.995 -10.225 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.190 9.059 -10.889 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.955 10.365 -9.703 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.542 10.140 -10.476 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.899 7.333 -10.477 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.009 8.792 -10.972 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.827 8.743 -9.393 1.00 0.00 H new ATOM 282 N LEU A 17 9.060 9.933 -6.134 1.00 0.00 N ATOM 283 CA LEU A 17 8.051 10.728 -5.444 1.00 0.00 C ATOM 284 C LEU A 17 8.696 11.689 -4.450 1.00 0.00 C ATOM 285 O LEU A 17 8.239 12.820 -4.279 1.00 0.00 O ATOM 286 CB LEU A 17 7.059 9.812 -4.720 1.00 0.00 C ATOM 287 CG LEU A 17 5.754 9.550 -5.473 1.00 0.00 C ATOM 288 CD1 LEU A 17 4.869 8.596 -4.687 1.00 0.00 C ATOM 289 CD2 LEU A 17 5.022 10.856 -5.746 1.00 0.00 C ATOM 0 H LEU A 17 9.213 9.007 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 17 7.516 11.316 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.546 8.857 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.820 10.253 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 17 5.996 9.087 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.945 8.420 -5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.391 7.650 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.636 9.033 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.096 10.649 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.792 11.348 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.653 11.508 -6.350 1.00 0.00 H new ATOM 301 N VAL A 18 9.761 11.234 -3.795 1.00 0.00 N ATOM 302 CA VAL A 18 10.465 12.055 -2.818 1.00 0.00 C ATOM 303 C VAL A 18 10.968 13.351 -3.451 1.00 0.00 C ATOM 304 O VAL A 18 11.072 14.380 -2.782 1.00 0.00 O ATOM 305 CB VAL A 18 11.657 11.297 -2.200 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.674 10.931 -3.270 1.00 0.00 C ATOM 307 CG2 VAL A 18 12.304 12.122 -1.097 1.00 0.00 C ATOM 0 H VAL A 18 10.154 10.302 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 18 9.751 12.293 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 18 11.283 10.373 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.507 10.397 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.202 10.295 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.043 11.839 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.143 11.569 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.662 13.065 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.571 12.323 -0.316 1.00 0.00 H new ATOM 317 N LYS A 19 11.278 13.292 -4.742 1.00 0.00 N ATOM 318 CA LYS A 19 11.768 14.461 -5.463 1.00 0.00 C ATOM 319 C LYS A 19 10.614 15.364 -5.884 1.00 0.00 C ATOM 320 O LYS A 19 10.768 16.582 -5.977 1.00 0.00 O ATOM 321 CB LYS A 19 12.566 14.027 -6.694 1.00 0.00 C ATOM 322 CG LYS A 19 13.439 15.130 -7.273 1.00 0.00 C ATOM 323 CD LYS A 19 12.720 15.888 -8.377 1.00 0.00 C ATOM 324 CE LYS A 19 12.973 15.260 -9.738 1.00 0.00 C ATOM 325 NZ LYS A 19 12.101 14.077 -9.974 1.00 0.00 N ATOM 0 H LYS A 19 11.199 12.448 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 19 12.420 15.023 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.196 13.178 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.874 13.682 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.725 15.823 -6.481 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.359 14.698 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.649 15.900 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.055 16.925 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.798 16.001 -10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.019 14.961 -9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.867 14.015 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.601 13.213 -9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.225 14.175 -9.421 1.00 0.00 H new ATOM 339 N ASN A 20 9.457 14.760 -6.138 1.00 0.00 N ATOM 340 CA ASN A 20 8.276 15.512 -6.549 1.00 0.00 C ATOM 341 C ASN A 20 7.348 15.757 -5.363 1.00 0.00 C ATOM 342 O ASN A 20 6.129 15.836 -5.522 1.00 0.00 O ATOM 343 CB ASN A 20 7.530 14.764 -7.657 1.00 0.00 C ATOM 344 CG ASN A 20 7.543 15.516 -8.973 1.00 0.00 C ATOM 345 OD1 ASN A 20 6.941 16.583 -9.097 1.00 0.00 O ATOM 346 ND2 ASN A 20 8.233 14.964 -9.964 1.00 0.00 N ATOM 0 H ASN A 20 9.312 13.753 -6.067 1.00 0.00 H new ATOM 0 HA ASN A 20 8.604 16.478 -6.933 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.983 13.783 -7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.498 14.597 -7.348 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.279 15.426 -10.872 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.717 14.078 -9.817 1.00 0.00 H new ATOM 353 N GLY A 21 7.932 15.877 -4.175 1.00 0.00 N ATOM 354 CA GLY A 21 7.143 16.113 -2.981 1.00 0.00 C ATOM 355 C GLY A 21 6.609 14.830 -2.373 1.00 0.00 C ATOM 356 O GLY A 21 5.553 14.339 -2.771 1.00 0.00 O ATOM 0 H GLY A 21 8.938 15.815 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.754 16.634 -2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.308 16.770 -3.225 1.00 0.00 H new ATOM 360 N PHE A 22 7.342 14.286 -1.406 1.00 0.00 N ATOM 361 CA PHE A 22 6.936 13.053 -0.742 1.00 0.00 C ATOM 362 C PHE A 22 7.886 12.714 0.403 1.00 0.00 C ATOM 363 O PHE A 22 8.976 12.187 0.181 1.00 0.00 O ATOM 364 CB PHE A 22 6.894 11.898 -1.743 1.00 0.00 C ATOM 365 CG PHE A 22 6.122 10.705 -1.251 1.00 0.00 C ATOM 366 CD1 PHE A 22 6.686 9.831 -0.335 1.00 0.00 C ATOM 367 CD2 PHE A 22 4.836 10.461 -1.703 1.00 0.00 C ATOM 368 CE1 PHE A 22 5.980 8.733 0.119 1.00 0.00 C ATOM 369 CE2 PHE A 22 4.126 9.365 -1.252 1.00 0.00 C ATOM 370 CZ PHE A 22 4.699 8.500 -0.339 1.00 0.00 C ATOM 0 H PHE A 22 8.219 14.680 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 22 5.938 13.204 -0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.449 12.250 -2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.914 11.591 -1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.687 10.010 0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.383 11.135 -2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.430 8.058 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.124 9.184 -1.613 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.145 7.643 0.015 1.00 0.00 H new ATOM 380 N ASP A 23 7.465 13.021 1.625 1.00 0.00 N ATOM 381 CA ASP A 23 8.279 12.747 2.804 1.00 0.00 C ATOM 382 C ASP A 23 8.443 11.246 3.015 1.00 0.00 C ATOM 383 O ASP A 23 7.960 10.440 2.219 1.00 0.00 O ATOM 384 CB ASP A 23 7.648 13.385 4.044 1.00 0.00 C ATOM 385 CG ASP A 23 8.669 14.087 4.916 1.00 0.00 C ATOM 386 OD1 ASP A 23 9.221 15.116 4.474 1.00 0.00 O ATOM 387 OD2 ASP A 23 8.918 13.606 6.042 1.00 0.00 O ATOM 0 H ASP A 23 6.566 13.459 1.825 1.00 0.00 H new ATOM 0 HA ASP A 23 9.266 13.181 2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.886 14.100 3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.143 12.615 4.628 1.00 0.00 H new ATOM 392 N LEU A 24 9.126 10.875 4.093 1.00 0.00 N ATOM 393 CA LEU A 24 9.355 9.470 4.408 1.00 0.00 C ATOM 394 C LEU A 24 8.568 9.053 5.647 1.00 0.00 C ATOM 395 O LEU A 24 8.148 7.903 5.769 1.00 0.00 O ATOM 396 CB LEU A 24 10.847 9.211 4.627 1.00 0.00 C ATOM 397 CG LEU A 24 11.757 9.659 3.483 1.00 0.00 C ATOM 398 CD1 LEU A 24 13.216 9.586 3.903 1.00 0.00 C ATOM 399 CD2 LEU A 24 11.514 8.807 2.245 1.00 0.00 C ATOM 0 H LEU A 24 9.531 11.529 4.763 1.00 0.00 H new ATOM 0 HA LEU A 24 9.009 8.874 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.158 9.720 5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.994 8.144 4.791 1.00 0.00 H new ATOM 0 HG LEU A 24 11.521 10.695 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.849 9.908 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.380 10.237 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.466 8.560 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.170 9.139 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.723 7.762 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.475 8.909 1.932 1.00 0.00 H new ATOM 411 N LYS A 25 8.373 9.996 6.563 1.00 0.00 N ATOM 412 CA LYS A 25 7.637 9.726 7.793 1.00 0.00 C ATOM 413 C LYS A 25 6.160 9.473 7.504 1.00 0.00 C ATOM 414 O LYS A 25 5.487 8.761 8.248 1.00 0.00 O ATOM 415 CB LYS A 25 7.788 10.898 8.767 1.00 0.00 C ATOM 416 CG LYS A 25 8.307 10.487 10.135 1.00 0.00 C ATOM 417 CD LYS A 25 9.804 10.218 10.108 1.00 0.00 C ATOM 418 CE LYS A 25 10.104 8.729 10.076 1.00 0.00 C ATOM 419 NZ LYS A 25 11.161 8.396 9.082 1.00 0.00 N ATOM 0 H LYS A 25 8.714 10.953 6.477 1.00 0.00 H new ATOM 0 HA LYS A 25 8.055 8.827 8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.467 11.633 8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.822 11.388 8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.091 11.273 10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.782 9.593 10.470 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.245 10.697 9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.271 10.665 10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.421 8.401 11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.193 8.180 9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.336 7.371 9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.849 8.685 8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.038 8.899 9.326 1.00 0.00 H new ATOM 433 N LEU A 26 5.662 10.061 6.420 1.00 0.00 N ATOM 434 CA LEU A 26 4.263 9.897 6.035 1.00 0.00 C ATOM 435 C LEU A 26 3.915 8.423 5.850 1.00 0.00 C ATOM 436 O LEU A 26 2.866 7.961 6.299 1.00 0.00 O ATOM 437 CB LEU A 26 3.974 10.666 4.744 1.00 0.00 C ATOM 438 CG LEU A 26 4.825 10.255 3.541 1.00 0.00 C ATOM 439 CD1 LEU A 26 4.155 9.125 2.774 1.00 0.00 C ATOM 440 CD2 LEU A 26 5.069 11.448 2.630 1.00 0.00 C ATOM 0 H LEU A 26 6.205 10.655 5.793 1.00 0.00 H new ATOM 0 HA LEU A 26 3.644 10.299 6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.923 10.534 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.126 11.729 4.931 1.00 0.00 H new ATOM 0 HG LEU A 26 5.788 9.898 3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.775 8.846 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.031 8.263 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.178 9.455 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.676 11.138 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.114 11.834 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.592 12.228 3.184 1.00 0.00 H new ATOM 452 N LEU A 27 4.803 7.689 5.187 1.00 0.00 N ATOM 453 CA LEU A 27 4.588 6.267 4.944 1.00 0.00 C ATOM 454 C LEU A 27 4.433 5.506 6.257 1.00 0.00 C ATOM 455 O LEU A 27 3.505 4.713 6.419 1.00 0.00 O ATOM 456 CB LEU A 27 5.754 5.688 4.137 1.00 0.00 C ATOM 457 CG LEU A 27 5.353 4.702 3.038 1.00 0.00 C ATOM 458 CD1 LEU A 27 5.067 5.438 1.740 1.00 0.00 C ATOM 459 CD2 LEU A 27 6.445 3.662 2.833 1.00 0.00 C ATOM 0 H LEU A 27 5.677 8.055 4.809 1.00 0.00 H new ATOM 0 HA LEU A 27 3.667 6.155 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.306 6.511 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.437 5.187 4.823 1.00 0.00 H new ATOM 0 HG LEU A 27 4.443 4.190 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.783 4.721 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.252 6.145 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.960 5.977 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.144 2.968 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.371 4.159 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.603 3.113 3.761 1.00 0.00 H new ATOM 471 N TYR A 28 5.346 5.753 7.190 1.00 0.00 N ATOM 472 CA TYR A 28 5.311 5.092 8.490 1.00 0.00 C ATOM 473 C TYR A 28 4.034 5.445 9.252 1.00 0.00 C ATOM 474 O TYR A 28 3.637 4.733 10.175 1.00 0.00 O ATOM 475 CB TYR A 28 6.535 5.483 9.317 1.00 0.00 C ATOM 476 CG TYR A 28 7.737 4.597 9.075 1.00 0.00 C ATOM 477 CD1 TYR A 28 7.795 3.314 9.606 1.00 0.00 C ATOM 478 CD2 TYR A 28 8.812 5.042 8.317 1.00 0.00 C ATOM 479 CE1 TYR A 28 8.891 2.501 9.388 1.00 0.00 C ATOM 480 CE2 TYR A 28 9.911 4.235 8.094 1.00 0.00 C ATOM 481 CZ TYR A 28 9.946 2.967 8.632 1.00 0.00 C ATOM 482 OH TYR A 28 11.038 2.159 8.412 1.00 0.00 O ATOM 0 H TYR A 28 6.120 6.407 7.070 1.00 0.00 H new ATOM 0 HA TYR A 28 5.323 4.015 8.320 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.803 6.515 9.089 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.275 5.447 10.375 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.970 2.946 10.199 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.789 6.036 7.895 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.921 1.506 9.807 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.738 4.596 7.501 1.00 0.00 H new ATOM 0 HH TYR A 28 11.692 2.636 7.860 1.00 0.00 H new ATOM 492 N LYS A 29 3.398 6.545 8.863 1.00 0.00 N ATOM 493 CA LYS A 29 2.169 6.987 9.514 1.00 0.00 C ATOM 494 C LYS A 29 0.945 6.351 8.861 1.00 0.00 C ATOM 495 O LYS A 29 -0.073 6.128 9.515 1.00 0.00 O ATOM 496 CB LYS A 29 2.058 8.511 9.455 1.00 0.00 C ATOM 497 CG LYS A 29 1.319 9.114 10.639 1.00 0.00 C ATOM 498 CD LYS A 29 0.804 10.508 10.321 1.00 0.00 C ATOM 499 CE LYS A 29 0.003 11.084 11.479 1.00 0.00 C ATOM 500 NZ LYS A 29 -0.313 12.524 11.272 1.00 0.00 N ATOM 0 H LYS A 29 3.712 7.146 8.101 1.00 0.00 H new ATOM 0 HA LYS A 29 2.206 6.671 10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.060 8.938 9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.546 8.794 8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.484 8.470 10.914 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.985 9.158 11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.644 11.165 10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.180 10.472 9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.924 10.522 11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.566 10.965 12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.859 12.879 12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.571 13.065 11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.872 12.635 10.402 1.00 0.00 H new ATOM 514 N VAL A 30 1.052 6.064 7.568 1.00 0.00 N ATOM 515 CA VAL A 30 -0.047 5.456 6.827 1.00 0.00 C ATOM 516 C VAL A 30 -0.086 3.944 7.035 1.00 0.00 C ATOM 517 O VAL A 30 -1.142 3.321 6.920 1.00 0.00 O ATOM 518 CB VAL A 30 0.059 5.754 5.318 1.00 0.00 C ATOM 519 CG1 VAL A 30 -1.167 5.237 4.581 1.00 0.00 C ATOM 520 CG2 VAL A 30 0.244 7.246 5.081 1.00 0.00 C ATOM 0 H VAL A 30 1.888 6.243 7.012 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.967 5.895 7.213 1.00 0.00 H new ATOM 0 HB VAL A 30 0.933 5.235 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.072 5.457 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.249 4.159 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.060 5.723 4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.317 7.438 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.609 7.788 5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.157 7.582 5.573 1.00 0.00 H new ATOM 530 N VAL A 31 1.070 3.357 7.337 1.00 0.00 N ATOM 531 CA VAL A 31 1.162 1.918 7.558 1.00 0.00 C ATOM 532 C VAL A 31 0.169 1.456 8.622 1.00 0.00 C ATOM 533 O VAL A 31 -0.333 0.335 8.569 1.00 0.00 O ATOM 534 CB VAL A 31 2.583 1.505 7.986 1.00 0.00 C ATOM 535 CG1 VAL A 31 3.577 1.777 6.867 1.00 0.00 C ATOM 536 CG2 VAL A 31 2.989 2.229 9.262 1.00 0.00 C ATOM 0 H VAL A 31 1.954 3.856 7.434 1.00 0.00 H new ATOM 0 HA VAL A 31 0.921 1.439 6.609 1.00 0.00 H new ATOM 0 HB VAL A 31 2.586 0.434 8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.576 1.479 7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.294 1.206 5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.575 2.841 6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.996 1.924 9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.970 3.305 9.091 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.292 1.976 10.061 1.00 0.00 H new ATOM 546 N GLY A 32 -0.107 2.329 9.584 1.00 0.00 N ATOM 547 CA GLY A 32 -1.041 1.994 10.642 1.00 0.00 C ATOM 548 C GLY A 32 -2.442 1.750 10.120 1.00 0.00 C ATOM 549 O GLY A 32 -3.186 0.938 10.671 1.00 0.00 O ATOM 0 H GLY A 32 0.299 3.262 9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.690 1.104 11.164 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.064 2.803 11.372 1.00 0.00 H new ATOM 553 N ASN A 33 -2.803 2.456 9.053 1.00 0.00 N ATOM 554 CA ASN A 33 -4.124 2.315 8.452 1.00 0.00 C ATOM 555 C ASN A 33 -4.119 1.231 7.377 1.00 0.00 C ATOM 556 O ASN A 33 -5.143 0.596 7.120 1.00 0.00 O ATOM 557 CB ASN A 33 -4.579 3.643 7.849 1.00 0.00 C ATOM 558 CG ASN A 33 -4.688 4.743 8.888 1.00 0.00 C ATOM 559 OD1 ASN A 33 -5.248 4.541 9.965 1.00 0.00 O ATOM 560 ND2 ASN A 33 -4.151 5.914 8.568 1.00 0.00 N ATOM 0 H ASN A 33 -2.198 3.132 8.587 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.822 2.023 9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.875 3.947 7.074 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.546 3.507 7.365 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.193 6.691 9.227 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.696 6.036 7.663 1.00 0.00 H new ATOM 567 N LEU A 34 -2.964 1.026 6.754 1.00 0.00 N ATOM 568 CA LEU A 34 -2.829 0.020 5.706 1.00 0.00 C ATOM 569 C LEU A 34 -3.104 -1.377 6.254 1.00 0.00 C ATOM 570 O LEU A 34 -3.734 -2.202 5.594 1.00 0.00 O ATOM 571 CB LEU A 34 -1.428 0.076 5.095 1.00 0.00 C ATOM 572 CG LEU A 34 -1.112 1.351 4.312 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.285 1.281 3.718 1.00 0.00 C ATOM 574 CD2 LEU A 34 -2.147 1.572 3.219 1.00 0.00 C ATOM 0 H LEU A 34 -2.108 1.542 6.956 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.564 0.237 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.695 -0.032 5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.304 -0.780 4.431 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.149 2.196 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.491 2.197 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.016 1.168 4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.351 0.427 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.908 2.483 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.140 0.724 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.136 1.667 3.668 1.00 0.00 H new ATOM 586 N ALA A 35 -2.624 -1.635 7.467 1.00 0.00 N ATOM 587 CA ALA A 35 -2.818 -2.933 8.104 1.00 0.00 C ATOM 588 C ALA A 35 -4.287 -3.166 8.439 1.00 0.00 C ATOM 589 O ALA A 35 -4.808 -4.267 8.259 1.00 0.00 O ATOM 590 CB ALA A 35 -1.966 -3.035 9.361 1.00 0.00 C ATOM 0 H ALA A 35 -2.099 -0.964 8.027 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.506 -3.706 7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.120 -4.008 9.827 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.914 -2.921 9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.253 -2.249 10.060 1.00 0.00 H new ATOM 596 N THR A 36 -4.950 -2.124 8.927 1.00 0.00 N ATOM 597 CA THR A 36 -6.361 -2.215 9.287 1.00 0.00 C ATOM 598 C THR A 36 -7.244 -2.157 8.045 1.00 0.00 C ATOM 599 O THR A 36 -8.271 -2.831 7.969 1.00 0.00 O ATOM 600 CB THR A 36 -6.734 -1.087 10.250 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.419 0.176 9.689 1.00 0.00 O ATOM 602 CG2 THR A 36 -6.031 -1.182 11.586 1.00 0.00 C ATOM 0 H THR A 36 -4.534 -1.206 9.083 1.00 0.00 H new ATOM 0 HA THR A 36 -6.526 -3.173 9.780 1.00 0.00 H new ATOM 0 HB THR A 36 -7.807 -1.191 10.414 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.935 0.048 8.846 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.341 -0.351 12.220 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.292 -2.124 12.068 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.953 -1.139 11.434 1.00 0.00 H new ATOM 610 N GLU A 37 -6.836 -1.349 7.073 1.00 0.00 N ATOM 611 CA GLU A 37 -7.586 -1.202 5.830 1.00 0.00 C ATOM 612 C GLU A 37 -8.987 -0.657 6.096 1.00 0.00 C ATOM 613 O GLU A 37 -9.969 -1.137 5.530 1.00 0.00 O ATOM 614 CB GLU A 37 -7.677 -2.546 5.105 1.00 0.00 C ATOM 615 CG GLU A 37 -6.348 -3.278 5.013 1.00 0.00 C ATOM 616 CD GLU A 37 -6.459 -4.596 4.271 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.586 -5.121 4.156 1.00 0.00 O ATOM 618 OE2 GLU A 37 -5.417 -5.104 3.804 1.00 0.00 O ATOM 0 H GLU A 37 -5.988 -0.784 7.122 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.056 -0.490 5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.397 -3.180 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.062 -2.381 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.621 -2.641 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.968 -3.462 6.018 1.00 0.00 H new ATOM 625 N GLN A 38 -9.073 0.348 6.963 1.00 0.00 N ATOM 626 CA GLN A 38 -10.357 0.954 7.303 1.00 0.00 C ATOM 627 C GLN A 38 -10.653 2.160 6.411 1.00 0.00 C ATOM 628 O GLN A 38 -11.722 2.242 5.804 1.00 0.00 O ATOM 629 CB GLN A 38 -10.390 1.380 8.777 1.00 0.00 C ATOM 630 CG GLN A 38 -9.333 0.707 9.641 1.00 0.00 C ATOM 631 CD GLN A 38 -9.668 0.762 11.119 1.00 0.00 C ATOM 632 OE1 GLN A 38 -9.832 1.841 11.691 1.00 0.00 O ATOM 633 NE2 GLN A 38 -9.771 -0.403 11.746 1.00 0.00 N ATOM 0 H GLN A 38 -8.272 0.759 7.442 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.126 0.200 7.136 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.258 2.460 8.835 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.375 1.157 9.187 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.227 -0.334 9.335 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.370 1.189 9.472 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.627 -1.273 11.233 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.994 -0.429 12.741 1.00 0.00 H new ATOM 642 N PRO A 39 -9.716 3.122 6.323 1.00 0.00 N ATOM 643 CA PRO A 39 -9.896 4.321 5.512 1.00 0.00 C ATOM 644 C PRO A 39 -9.527 4.103 4.040 1.00 0.00 C ATOM 645 O PRO A 39 -10.373 3.703 3.240 1.00 0.00 O ATOM 646 CB PRO A 39 -8.966 5.331 6.185 1.00 0.00 C ATOM 647 CG PRO A 39 -7.875 4.516 6.803 1.00 0.00 C ATOM 648 CD PRO A 39 -8.415 3.121 7.017 1.00 0.00 C ATOM 0 HA PRO A 39 -10.936 4.646 5.473 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.565 6.039 5.460 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.497 5.913 6.939 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.999 4.493 6.154 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.559 4.954 7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.745 2.367 6.604 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.530 2.898 8.078 1.00 0.00 H new ATOM 656 N LEU A 40 -8.271 4.372 3.681 1.00 0.00 N ATOM 657 CA LEU A 40 -7.821 4.203 2.303 1.00 0.00 C ATOM 658 C LEU A 40 -8.661 5.048 1.349 1.00 0.00 C ATOM 659 O LEU A 40 -8.950 4.633 0.226 1.00 0.00 O ATOM 660 CB LEU A 40 -7.893 2.729 1.897 1.00 0.00 C ATOM 661 CG LEU A 40 -7.150 1.767 2.827 1.00 0.00 C ATOM 662 CD1 LEU A 40 -8.021 0.565 3.156 1.00 0.00 C ATOM 663 CD2 LEU A 40 -5.837 1.322 2.198 1.00 0.00 C ATOM 0 H LEU A 40 -7.552 4.706 4.323 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.786 4.539 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.940 2.431 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.487 2.624 0.891 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.924 2.291 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.477 -0.108 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.933 0.901 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.279 0.040 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.323 0.639 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.039 0.816 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.208 2.193 2.015 1.00 0.00 H new ATOM 675 N ALA A 41 -9.053 6.233 1.807 1.00 0.00 N ATOM 676 CA ALA A 41 -9.861 7.138 0.998 1.00 0.00 C ATOM 677 C ALA A 41 -11.229 6.529 0.695 1.00 0.00 C ATOM 678 O ALA A 41 -11.326 5.366 0.302 1.00 0.00 O ATOM 679 CB ALA A 41 -9.136 7.484 -0.295 1.00 0.00 C ATOM 0 H ALA A 41 -8.824 6.589 2.735 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.017 8.054 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.752 8.160 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.187 7.968 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.949 6.572 -0.862 1.00 0.00 H new ATOM 685 N PRO A 42 -12.314 7.307 0.876 1.00 0.00 N ATOM 686 CA PRO A 42 -13.677 6.832 0.621 1.00 0.00 C ATOM 687 C PRO A 42 -14.028 6.809 -0.865 1.00 0.00 C ATOM 688 O PRO A 42 -15.132 6.416 -1.243 1.00 0.00 O ATOM 689 CB PRO A 42 -14.539 7.855 1.356 1.00 0.00 C ATOM 690 CG PRO A 42 -13.749 9.117 1.302 1.00 0.00 C ATOM 691 CD PRO A 42 -12.299 8.707 1.346 1.00 0.00 C ATOM 0 HA PRO A 42 -13.819 5.804 0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.510 7.974 0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.728 7.549 2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.968 9.675 0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.996 9.767 2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.685 9.338 0.703 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.891 8.786 2.354 1.00 0.00 H new ATOM 699 N LYS A 43 -13.089 7.233 -1.707 1.00 0.00 N ATOM 700 CA LYS A 43 -13.313 7.259 -3.149 1.00 0.00 C ATOM 701 C LYS A 43 -12.483 6.192 -3.860 1.00 0.00 C ATOM 702 O LYS A 43 -12.297 6.250 -5.075 1.00 0.00 O ATOM 703 CB LYS A 43 -12.977 8.641 -3.710 1.00 0.00 C ATOM 704 CG LYS A 43 -11.507 9.009 -3.583 1.00 0.00 C ATOM 705 CD LYS A 43 -11.262 9.916 -2.386 1.00 0.00 C ATOM 706 CE LYS A 43 -11.919 11.275 -2.571 1.00 0.00 C ATOM 707 NZ LYS A 43 -10.930 12.386 -2.487 1.00 0.00 N ATOM 0 H LYS A 43 -12.168 7.562 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.366 7.043 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.262 8.676 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.576 9.390 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.911 8.102 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.176 9.508 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.651 9.443 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.190 10.046 -2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.420 11.307 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.687 11.414 -1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.417 13.295 -2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.470 12.371 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.212 12.268 -3.230 1.00 0.00 H new ATOM 721 N TYR A 44 -11.987 5.218 -3.100 1.00 0.00 N ATOM 722 CA TYR A 44 -11.179 4.144 -3.667 1.00 0.00 C ATOM 723 C TYR A 44 -11.413 2.836 -2.920 1.00 0.00 C ATOM 724 O TYR A 44 -11.943 1.876 -3.479 1.00 0.00 O ATOM 725 CB TYR A 44 -9.694 4.512 -3.623 1.00 0.00 C ATOM 726 CG TYR A 44 -9.369 5.807 -4.333 1.00 0.00 C ATOM 727 CD1 TYR A 44 -9.648 5.971 -5.684 1.00 0.00 C ATOM 728 CD2 TYR A 44 -8.783 6.866 -3.651 1.00 0.00 C ATOM 729 CE1 TYR A 44 -9.353 7.154 -6.335 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.485 8.051 -4.295 1.00 0.00 C ATOM 731 CZ TYR A 44 -8.771 8.191 -5.635 1.00 0.00 C ATOM 732 OH TYR A 44 -8.477 9.370 -6.281 1.00 0.00 O ATOM 0 H TYR A 44 -12.131 5.151 -2.092 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.480 4.008 -4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.378 4.589 -2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.115 3.706 -4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.103 5.161 -6.235 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.557 6.761 -2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.577 7.266 -7.386 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.030 8.865 -3.750 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.854 9.895 -5.736 1.00 0.00 H new ATOM 742 N LYS A 45 -11.011 2.804 -1.653 1.00 0.00 N ATOM 743 CA LYS A 45 -11.175 1.613 -0.826 1.00 0.00 C ATOM 744 C LYS A 45 -10.379 0.443 -1.393 1.00 0.00 C ATOM 745 O LYS A 45 -10.585 0.033 -2.534 1.00 0.00 O ATOM 746 CB LYS A 45 -12.655 1.239 -0.721 1.00 0.00 C ATOM 747 CG LYS A 45 -13.506 2.308 -0.054 1.00 0.00 C ATOM 748 CD LYS A 45 -14.787 2.571 -0.833 1.00 0.00 C ATOM 749 CE LYS A 45 -15.982 1.891 -0.185 1.00 0.00 C ATOM 750 NZ LYS A 45 -16.743 2.823 0.692 1.00 0.00 N ATOM 0 H LYS A 45 -10.569 3.590 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.794 1.837 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.045 1.047 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.748 0.310 -0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.754 1.996 0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.933 3.232 0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.965 3.645 -0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.673 2.211 -1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.642 1.501 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.640 1.038 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.550 2.321 1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.120 3.176 1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.091 3.624 0.128 1.00 0.00 H new ATOM 764 N ASP A 46 -9.466 -0.091 -0.586 1.00 0.00 N ATOM 765 CA ASP A 46 -8.637 -1.215 -1.007 1.00 0.00 C ATOM 766 C ASP A 46 -9.498 -2.408 -1.411 1.00 0.00 C ATOM 767 O ASP A 46 -10.543 -2.662 -0.814 1.00 0.00 O ATOM 768 CB ASP A 46 -7.681 -1.620 0.117 1.00 0.00 C ATOM 769 CG ASP A 46 -6.732 -2.724 -0.303 1.00 0.00 C ATOM 770 OD1 ASP A 46 -5.727 -2.418 -0.982 1.00 0.00 O ATOM 771 OD2 ASP A 46 -6.990 -3.895 0.047 1.00 0.00 O ATOM 0 H ASP A 46 -9.282 0.237 0.362 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.056 -0.899 -1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.105 -0.750 0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.259 -1.950 0.981 1.00 0.00 H new ATOM 776 N HIS A 47 -9.052 -3.135 -2.429 1.00 0.00 N ATOM 777 CA HIS A 47 -9.781 -4.301 -2.914 1.00 0.00 C ATOM 778 C HIS A 47 -8.835 -5.285 -3.602 1.00 0.00 C ATOM 779 O HIS A 47 -7.766 -4.902 -4.078 1.00 0.00 O ATOM 780 CB HIS A 47 -10.886 -3.871 -3.882 1.00 0.00 C ATOM 781 CG HIS A 47 -12.264 -4.211 -3.404 1.00 0.00 C ATOM 782 ND1 HIS A 47 -13.085 -5.111 -4.051 1.00 0.00 N ATOM 783 CD2 HIS A 47 -12.964 -3.769 -2.332 1.00 0.00 C ATOM 784 CE1 HIS A 47 -14.230 -5.207 -3.400 1.00 0.00 C ATOM 785 NE2 HIS A 47 -14.182 -4.403 -2.352 1.00 0.00 N ATOM 0 H HIS A 47 -8.189 -2.937 -2.935 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.234 -4.800 -2.057 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.820 -2.795 -4.041 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.717 -4.347 -4.848 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.627 -3.052 -1.598 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.064 -5.835 -3.677 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -14.929 -4.274 -1.669 1.00 0.00 H new ATOM 794 N PRO A 48 -9.219 -6.572 -3.664 1.00 0.00 N ATOM 795 CA PRO A 48 -8.401 -7.610 -4.298 1.00 0.00 C ATOM 796 C PRO A 48 -8.297 -7.424 -5.808 1.00 0.00 C ATOM 797 O PRO A 48 -9.045 -6.648 -6.401 1.00 0.00 O ATOM 798 CB PRO A 48 -9.147 -8.906 -3.969 1.00 0.00 C ATOM 799 CG PRO A 48 -10.556 -8.485 -3.733 1.00 0.00 C ATOM 800 CD PRO A 48 -10.479 -7.113 -3.123 1.00 0.00 C ATOM 0 HA PRO A 48 -7.373 -7.593 -3.937 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.080 -9.620 -4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.727 -9.392 -3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.120 -8.467 -4.666 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.065 -9.181 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.334 -6.499 -3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.463 -7.157 -2.034 1.00 0.00 H new ATOM 904 N ASP A 55 -3.419 -12.703 -3.193 1.00 0.00 N ATOM 905 CA ASP A 55 -2.171 -12.345 -2.532 1.00 0.00 C ATOM 906 C ASP A 55 -1.805 -10.891 -2.816 1.00 0.00 C ATOM 907 O ASP A 55 -1.291 -10.188 -1.947 1.00 0.00 O ATOM 908 CB ASP A 55 -1.041 -13.266 -2.993 1.00 0.00 C ATOM 909 CG ASP A 55 -1.283 -14.714 -2.608 1.00 0.00 C ATOM 910 OD1 ASP A 55 -1.732 -14.958 -1.470 1.00 0.00 O ATOM 911 OD2 ASP A 55 -1.023 -15.602 -3.447 1.00 0.00 O ATOM 0 HA ASP A 55 -2.311 -12.465 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.935 -13.193 -4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.100 -12.929 -2.557 1.00 0.00 H new ATOM 916 N PHE A 56 -2.077 -10.447 -4.038 1.00 0.00 N ATOM 917 CA PHE A 56 -1.781 -9.077 -4.439 1.00 0.00 C ATOM 918 C PHE A 56 -2.948 -8.150 -4.118 1.00 0.00 C ATOM 919 O PHE A 56 -4.099 -8.584 -4.052 1.00 0.00 O ATOM 920 CB PHE A 56 -1.464 -9.019 -5.936 1.00 0.00 C ATOM 921 CG PHE A 56 0.003 -9.126 -6.244 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.648 -10.351 -6.179 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.734 -8.003 -6.596 1.00 0.00 C ATOM 924 CE1 PHE A 56 1.998 -10.453 -6.464 1.00 0.00 C ATOM 925 CE2 PHE A 56 2.083 -8.100 -6.881 1.00 0.00 C ATOM 926 CZ PHE A 56 2.716 -9.327 -6.814 1.00 0.00 C ATOM 0 H PHE A 56 -2.503 -11.017 -4.769 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.910 -8.741 -3.876 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.993 -9.826 -6.443 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.845 -8.083 -6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.091 -11.234 -5.903 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.245 -7.042 -6.648 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.490 -11.413 -6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.642 -7.218 -7.156 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.770 -9.405 -7.035 1.00 0.00 H new ATOM 936 N ARG A 57 -2.644 -6.873 -3.918 1.00 0.00 N ATOM 937 CA ARG A 57 -3.664 -5.881 -3.603 1.00 0.00 C ATOM 938 C ARG A 57 -3.125 -4.468 -3.810 1.00 0.00 C ATOM 939 O ARG A 57 -1.940 -4.212 -3.602 1.00 0.00 O ATOM 940 CB ARG A 57 -4.146 -6.053 -2.161 1.00 0.00 C ATOM 941 CG ARG A 57 -5.393 -6.915 -2.035 1.00 0.00 C ATOM 942 CD ARG A 57 -5.188 -8.055 -1.050 1.00 0.00 C ATOM 943 NE ARG A 57 -6.454 -8.538 -0.503 1.00 0.00 N ATOM 944 CZ ARG A 57 -6.552 -9.262 0.610 1.00 0.00 C ATOM 945 NH1 ARG A 57 -5.464 -9.587 1.297 1.00 0.00 N ATOM 946 NH2 ARG A 57 -7.742 -9.665 1.036 1.00 0.00 N ATOM 0 H ARG A 57 -1.696 -6.500 -3.969 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.507 -6.032 -4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.346 -6.498 -1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.349 -5.071 -1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.231 -6.298 -1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.656 -7.320 -3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.671 -8.876 -1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.545 -7.720 -0.236 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.313 -8.307 -1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.546 -9.282 0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.546 -10.142 2.149 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.581 -9.420 0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.817 -10.220 1.889 1.00 0.00 H new ATOM 960 N GLU A 58 -4.000 -3.558 -4.222 1.00 0.00 N ATOM 961 CA GLU A 58 -3.604 -2.175 -4.459 1.00 0.00 C ATOM 962 C GLU A 58 -4.566 -1.204 -3.784 1.00 0.00 C ATOM 963 O GLU A 58 -5.784 -1.350 -3.879 1.00 0.00 O ATOM 964 CB GLU A 58 -3.546 -1.891 -5.961 1.00 0.00 C ATOM 965 CG GLU A 58 -3.078 -0.483 -6.296 1.00 0.00 C ATOM 966 CD GLU A 58 -3.817 0.108 -7.481 1.00 0.00 C ATOM 967 OE1 GLU A 58 -5.066 0.083 -7.474 1.00 0.00 O ATOM 968 OE2 GLU A 58 -3.148 0.599 -8.413 1.00 0.00 O ATOM 0 H GLU A 58 -4.986 -3.752 -4.398 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.613 -2.031 -4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.876 -2.610 -6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.535 -2.048 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.219 0.160 -5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.009 -0.500 -6.510 1.00 0.00 H new ATOM 975 N CYS A 59 -4.006 -0.207 -3.105 1.00 0.00 N ATOM 976 CA CYS A 59 -4.806 0.797 -2.416 1.00 0.00 C ATOM 977 C CYS A 59 -4.413 2.200 -2.867 1.00 0.00 C ATOM 978 O CYS A 59 -3.592 2.362 -3.769 1.00 0.00 O ATOM 979 CB CYS A 59 -4.637 0.665 -0.901 1.00 0.00 C ATOM 980 SG CYS A 59 -2.925 0.797 -0.337 1.00 0.00 S ATOM 0 H CYS A 59 -2.998 -0.074 -3.018 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.853 0.632 -2.669 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.230 1.437 -0.411 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.040 -0.297 -0.583 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.138 0.227 -1.201 1.00 0.00 H new ATOM 986 N HIS A 60 -5.004 3.211 -2.239 1.00 0.00 N ATOM 987 CA HIS A 60 -4.710 4.596 -2.585 1.00 0.00 C ATOM 988 C HIS A 60 -4.525 5.451 -1.333 1.00 0.00 C ATOM 989 O HIS A 60 -5.446 6.147 -0.905 1.00 0.00 O ATOM 990 CB HIS A 60 -5.831 5.177 -3.447 1.00 0.00 C ATOM 991 CG HIS A 60 -6.016 4.461 -4.751 1.00 0.00 C ATOM 992 ND1 HIS A 60 -5.397 4.854 -5.919 1.00 0.00 N ATOM 993 CD2 HIS A 60 -6.757 3.373 -5.067 1.00 0.00 C ATOM 994 CE1 HIS A 60 -5.750 4.040 -6.897 1.00 0.00 C ATOM 995 NE2 HIS A 60 -6.574 3.133 -6.407 1.00 0.00 N ATOM 0 H HIS A 60 -5.687 3.098 -1.490 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.778 4.608 -3.150 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.765 5.141 -2.886 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.618 6.227 -3.646 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.765 5.649 -6.013 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.376 2.801 -4.392 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.420 4.105 -7.923 1.00 0.00 H new ATOM 1004 N LEU A 61 -3.329 5.396 -0.756 1.00 0.00 N ATOM 1005 CA LEU A 61 -3.027 6.170 0.444 1.00 0.00 C ATOM 1006 C LEU A 61 -3.196 7.664 0.182 1.00 0.00 C ATOM 1007 O LEU A 61 -3.592 8.420 1.068 1.00 0.00 O ATOM 1008 CB LEU A 61 -1.602 5.878 0.924 1.00 0.00 C ATOM 1009 CG LEU A 61 -0.490 6.341 -0.019 1.00 0.00 C ATOM 1010 CD1 LEU A 61 0.764 6.691 0.768 1.00 0.00 C ATOM 1011 CD2 LEU A 61 -0.188 5.269 -1.055 1.00 0.00 C ATOM 0 H LEU A 61 -2.555 4.826 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.729 5.874 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.457 6.355 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.501 4.804 1.080 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.831 7.236 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.545 7.018 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.540 7.493 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.107 5.813 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.605 5.616 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.132 4.357 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.085 5.065 -1.640 1.00 0.00 H new ATOM 1023 N LYS A 62 -2.894 8.080 -1.045 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.016 9.481 -1.431 1.00 0.00 C ATOM 1025 C LYS A 62 -4.118 9.650 -2.477 1.00 0.00 C ATOM 1026 O LYS A 62 -4.276 8.809 -3.360 1.00 0.00 O ATOM 1027 CB LYS A 62 -1.684 9.997 -1.983 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.384 11.444 -1.624 1.00 0.00 C ATOM 1029 CD LYS A 62 -1.395 11.666 -0.120 1.00 0.00 C ATOM 1030 CE LYS A 62 -0.868 13.045 0.244 1.00 0.00 C ATOM 1031 NZ LYS A 62 0.536 12.993 0.737 1.00 0.00 N ATOM 0 H LYS A 62 -2.563 7.466 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.279 10.062 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.878 9.366 -1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.689 9.896 -3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.410 11.724 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.121 12.095 -2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.411 11.552 0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.787 10.903 0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.922 13.696 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.505 13.486 1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.857 13.954 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.584 12.393 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.149 12.596 -0.003 1.00 0.00 H new ATOM 1045 N PRO A 63 -4.899 10.742 -2.393 1.00 0.00 N ATOM 1046 CA PRO A 63 -5.988 11.010 -3.337 1.00 0.00 C ATOM 1047 C PRO A 63 -5.537 10.947 -4.792 1.00 0.00 C ATOM 1048 O PRO A 63 -6.354 10.779 -5.697 1.00 0.00 O ATOM 1049 CB PRO A 63 -6.452 12.431 -2.976 1.00 0.00 C ATOM 1050 CG PRO A 63 -5.398 12.980 -2.074 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.792 11.798 -1.377 1.00 0.00 C ATOM 0 HA PRO A 63 -6.776 10.261 -3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.563 13.046 -3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.422 12.412 -2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.645 13.526 -2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.825 13.680 -1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.757 11.982 -1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.334 11.542 -0.467 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.236 11.088 -5.011 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.680 11.049 -6.359 1.00 0.00 C ATOM 1061 C ASP A 64 -2.496 10.089 -6.440 1.00 0.00 C ATOM 1062 O ASP A 64 -1.522 10.349 -7.147 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.244 12.451 -6.792 1.00 0.00 C ATOM 1064 CG ASP A 64 -3.740 12.807 -8.181 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -3.484 12.025 -9.119 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -4.380 13.869 -8.328 1.00 0.00 O ATOM 0 H ASP A 64 -3.546 11.230 -4.274 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.458 10.690 -7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.619 13.183 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.156 12.513 -6.771 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.583 8.978 -5.712 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.513 7.986 -5.709 1.00 0.00 C ATOM 1073 C LEU A 65 -2.056 6.590 -5.423 1.00 0.00 C ATOM 1074 O LEU A 65 -3.184 6.433 -4.952 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.451 8.346 -4.666 1.00 0.00 C ATOM 1076 CG LEU A 65 0.161 9.741 -4.812 1.00 0.00 C ATOM 1077 CD1 LEU A 65 1.041 10.064 -3.614 1.00 0.00 C ATOM 1078 CD2 LEU A 65 0.960 9.838 -6.103 1.00 0.00 C ATOM 0 H LEU A 65 -3.380 8.744 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.060 7.987 -6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.897 8.264 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.350 7.608 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.647 10.471 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.468 11.060 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.442 10.034 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.844 9.331 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.389 10.836 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.761 9.099 -6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.304 9.648 -6.952 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.239 5.581 -5.701 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.620 4.192 -5.469 1.00 0.00 C ATOM 1092 C LEU A 66 -0.569 3.496 -4.612 1.00 0.00 C ATOM 1093 O LEU A 66 0.429 4.106 -4.225 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.799 3.435 -6.793 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.673 4.280 -8.067 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.242 4.257 -8.581 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.631 3.777 -9.136 1.00 0.00 C ATOM 0 H LEU A 66 -0.303 5.699 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.575 4.189 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.060 2.635 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.781 2.961 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.936 5.310 -7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.170 4.861 -9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.425 4.662 -7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.047 3.231 -8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.528 4.388 -10.033 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.397 2.739 -9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.655 3.843 -8.767 1.00 0.00 H new ATOM 1109 N LEU A 67 -0.792 2.222 -4.319 1.00 0.00 N ATOM 1110 CA LEU A 67 0.149 1.460 -3.508 1.00 0.00 C ATOM 1111 C LEU A 67 -0.193 -0.026 -3.512 1.00 0.00 C ATOM 1112 O LEU A 67 -1.111 -0.464 -2.818 1.00 0.00 O ATOM 1113 CB LEU A 67 0.163 1.987 -2.073 1.00 0.00 C ATOM 1114 CG LEU A 67 1.263 1.409 -1.183 1.00 0.00 C ATOM 1115 CD1 LEU A 67 1.581 2.362 -0.041 1.00 0.00 C ATOM 1116 CD2 LEU A 67 0.853 0.046 -0.649 1.00 0.00 C ATOM 0 H LEU A 67 -1.610 1.697 -4.628 1.00 0.00 H new ATOM 0 HA LEU A 67 1.140 1.583 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.272 3.071 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.803 1.775 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 67 2.164 1.284 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.366 1.934 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.919 3.316 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.686 2.520 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.647 -0.351 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.061 0.145 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.678 -0.634 -1.483 1.00 0.00 H new ATOM 1128 N VAL A 68 0.562 -0.797 -4.285 1.00 0.00 N ATOM 1129 CA VAL A 68 0.351 -2.235 -4.367 1.00 0.00 C ATOM 1130 C VAL A 68 1.180 -2.952 -3.310 1.00 0.00 C ATOM 1131 O VAL A 68 2.334 -2.599 -3.076 1.00 0.00 O ATOM 1132 CB VAL A 68 0.723 -2.782 -5.758 1.00 0.00 C ATOM 1133 CG1 VAL A 68 0.318 -4.244 -5.885 1.00 0.00 C ATOM 1134 CG2 VAL A 68 0.076 -1.946 -6.851 1.00 0.00 C ATOM 0 H VAL A 68 1.326 -0.449 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.709 -2.419 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 68 1.805 -2.718 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.589 -4.612 -6.875 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.834 -4.832 -5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.759 -4.337 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.350 -2.347 -7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.008 -1.975 -6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.421 -0.915 -6.773 1.00 0.00 H new ATOM 1144 N TYR A 69 0.588 -3.952 -2.665 1.00 0.00 N ATOM 1145 CA TYR A 69 1.285 -4.699 -1.626 1.00 0.00 C ATOM 1146 C TYR A 69 0.844 -6.158 -1.601 1.00 0.00 C ATOM 1147 O TYR A 69 -0.038 -6.568 -2.355 1.00 0.00 O ATOM 1148 CB TYR A 69 1.034 -4.060 -0.260 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.431 -3.993 0.117 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -1.123 -5.136 0.491 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -1.117 -2.786 0.098 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.459 -5.080 0.836 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.453 -2.722 0.442 1.00 0.00 C ATOM 1154 CZ TYR A 69 -3.121 -3.869 0.810 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.451 -3.809 1.153 1.00 0.00 O ATOM 0 H TYR A 69 -0.367 -4.262 -2.843 1.00 0.00 H new ATOM 0 HA TYR A 69 2.351 -4.669 -1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.571 -4.626 0.501 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.448 -3.052 -0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.608 -6.085 0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.598 -1.884 -0.190 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.983 -5.979 1.125 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.972 -1.775 0.423 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.583 -4.234 2.026 1.00 0.00 H new ATOM 1165 N GLN A 70 1.470 -6.935 -0.722 1.00 0.00 N ATOM 1166 CA GLN A 70 1.152 -8.351 -0.583 1.00 0.00 C ATOM 1167 C GLN A 70 1.349 -8.803 0.861 1.00 0.00 C ATOM 1168 O GLN A 70 2.433 -8.656 1.424 1.00 0.00 O ATOM 1169 CB GLN A 70 2.028 -9.187 -1.517 1.00 0.00 C ATOM 1170 CG GLN A 70 1.428 -10.539 -1.864 1.00 0.00 C ATOM 1171 CD GLN A 70 2.471 -11.635 -1.948 1.00 0.00 C ATOM 1172 OE1 GLN A 70 3.105 -11.986 -0.952 1.00 0.00 O ATOM 1173 NE2 GLN A 70 2.658 -12.183 -3.145 1.00 0.00 N ATOM 0 H GLN A 70 2.203 -6.606 -0.094 1.00 0.00 H new ATOM 0 HA GLN A 70 0.107 -8.497 -0.856 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.200 -8.628 -2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.001 -9.340 -1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.685 -10.806 -1.113 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.905 -10.466 -2.818 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.111 -11.862 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.348 -12.924 -3.264 1.00 0.00 H new ATOM 1182 N ILE A 71 0.292 -9.346 1.457 1.00 0.00 N ATOM 1183 CA ILE A 71 0.351 -9.810 2.839 1.00 0.00 C ATOM 1184 C ILE A 71 0.904 -11.227 2.925 1.00 0.00 C ATOM 1185 O ILE A 71 0.561 -12.091 2.117 1.00 0.00 O ATOM 1186 CB ILE A 71 -1.040 -9.777 3.507 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -1.811 -8.512 3.110 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.901 -9.868 5.019 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.957 -7.262 3.059 1.00 0.00 C ATOM 0 H ILE A 71 -0.614 -9.475 1.006 1.00 0.00 H new ATOM 0 HA ILE A 71 1.018 -9.129 3.367 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.608 -10.639 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.267 -8.668 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.624 -8.356 3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.890 -9.844 5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.401 -10.800 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.312 -9.025 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.574 -6.411 2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.522 -7.079 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.160 -7.396 2.328 1.00 0.00 H new ATOM 1201 N LYS A 72 1.762 -11.458 3.913 1.00 0.00 N ATOM 1202 CA LYS A 72 2.364 -12.770 4.114 1.00 0.00 C ATOM 1203 C LYS A 72 2.065 -13.290 5.516 1.00 0.00 C ATOM 1204 O LYS A 72 2.844 -13.083 6.447 1.00 0.00 O ATOM 1205 CB LYS A 72 3.876 -12.701 3.894 1.00 0.00 C ATOM 1206 CG LYS A 72 4.551 -11.568 4.650 1.00 0.00 C ATOM 1207 CD LYS A 72 5.077 -10.499 3.705 1.00 0.00 C ATOM 1208 CE LYS A 72 6.484 -10.821 3.227 1.00 0.00 C ATOM 1209 NZ LYS A 72 6.488 -11.366 1.841 1.00 0.00 N ATOM 0 H LYS A 72 2.056 -10.752 4.588 1.00 0.00 H new ATOM 0 HA LYS A 72 1.932 -13.458 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.323 -13.647 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.075 -12.584 2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.842 -11.121 5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.374 -11.966 5.244 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.411 -10.411 2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.075 -9.533 4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.095 -9.919 3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.941 -11.544 3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.469 -11.509 1.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.983 -12.275 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.015 -10.695 1.203 1.00 0.00 H new ATOM 1223 N LYS A 73 0.929 -13.967 5.658 1.00 0.00 N ATOM 1224 CA LYS A 73 0.521 -14.520 6.945 1.00 0.00 C ATOM 1225 C LYS A 73 1.599 -15.437 7.518 1.00 0.00 C ATOM 1226 O LYS A 73 1.644 -15.675 8.726 1.00 0.00 O ATOM 1227 CB LYS A 73 -0.794 -15.288 6.799 1.00 0.00 C ATOM 1228 CG LYS A 73 -1.904 -14.476 6.151 1.00 0.00 C ATOM 1229 CD LYS A 73 -2.037 -14.795 4.668 1.00 0.00 C ATOM 1230 CE LYS A 73 -3.473 -15.121 4.292 1.00 0.00 C ATOM 1231 NZ LYS A 73 -3.889 -14.437 3.036 1.00 0.00 N ATOM 0 H LYS A 73 0.274 -14.146 4.897 1.00 0.00 H new ATOM 0 HA LYS A 73 0.376 -13.690 7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.617 -16.185 6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.124 -15.618 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.848 -14.682 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.700 -13.413 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.690 -13.945 4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.394 -15.639 4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.580 -16.199 4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.137 -14.824 5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.874 -14.686 2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.811 -13.407 3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.272 -14.740 2.255 1.00 0.00 H new ATOM 1245 N GLN A 74 2.464 -15.951 6.647 1.00 0.00 N ATOM 1246 CA GLN A 74 3.543 -16.843 7.066 1.00 0.00 C ATOM 1247 C GLN A 74 4.275 -16.289 8.287 1.00 0.00 C ATOM 1248 O GLN A 74 4.739 -17.046 9.141 1.00 0.00 O ATOM 1249 CB GLN A 74 4.532 -17.052 5.917 1.00 0.00 C ATOM 1250 CG GLN A 74 5.699 -17.957 6.273 1.00 0.00 C ATOM 1251 CD GLN A 74 6.145 -18.819 5.108 1.00 0.00 C ATOM 1252 OE1 GLN A 74 6.712 -18.322 4.134 1.00 0.00 O ATOM 1253 NE2 GLN A 74 5.890 -20.119 5.202 1.00 0.00 N ATOM 0 H GLN A 74 2.439 -15.765 5.644 1.00 0.00 H new ATOM 0 HA GLN A 74 3.100 -17.801 7.339 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.001 -17.477 5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.918 -16.083 5.601 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.537 -17.347 6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.415 -18.599 7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.418 -20.488 6.028 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.166 -20.749 4.449 1.00 0.00 H new ATOM 1262 N GLU A 75 4.372 -14.967 8.363 1.00 0.00 N ATOM 1263 CA GLU A 75 5.044 -14.312 9.480 1.00 0.00 C ATOM 1264 C GLU A 75 4.396 -12.968 9.807 1.00 0.00 C ATOM 1265 O GLU A 75 5.011 -12.115 10.444 1.00 0.00 O ATOM 1266 CB GLU A 75 6.528 -14.112 9.162 1.00 0.00 C ATOM 1267 CG GLU A 75 6.786 -13.602 7.754 1.00 0.00 C ATOM 1268 CD GLU A 75 8.255 -13.635 7.382 1.00 0.00 C ATOM 1269 OE1 GLU A 75 8.911 -14.664 7.647 1.00 0.00 O ATOM 1270 OE2 GLU A 75 8.749 -12.633 6.826 1.00 0.00 O ATOM 0 H GLU A 75 3.994 -14.327 7.665 1.00 0.00 H new ATOM 0 HA GLU A 75 4.947 -14.958 10.353 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.952 -13.408 9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.051 -15.059 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.222 -14.206 7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.416 -12.580 7.668 1.00 0.00 H new ATOM 1277 N ASN A 76 3.152 -12.788 9.368 1.00 0.00 N ATOM 1278 CA ASN A 76 2.422 -11.547 9.618 1.00 0.00 C ATOM 1279 C ASN A 76 3.273 -10.326 9.275 1.00 0.00 C ATOM 1280 O ASN A 76 3.696 -9.582 10.160 1.00 0.00 O ATOM 1281 CB ASN A 76 1.976 -11.479 11.079 1.00 0.00 C ATOM 1282 CG ASN A 76 0.932 -12.526 11.414 1.00 0.00 C ATOM 1283 OD1 ASN A 76 1.240 -13.556 12.012 1.00 0.00 O ATOM 1284 ND2 ASN A 76 -0.312 -12.267 11.028 1.00 0.00 N ATOM 0 H ASN A 76 2.629 -13.485 8.838 1.00 0.00 H new ATOM 0 HA ASN A 76 1.542 -11.541 8.974 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.842 -11.613 11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.573 -10.488 11.287 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.057 -12.935 11.225 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.523 -11.400 10.534 1.00 0.00 H new ATOM 1291 N THR A 77 3.526 -10.128 7.984 1.00 0.00 N ATOM 1292 CA THR A 77 4.329 -9.000 7.530 1.00 0.00 C ATOM 1293 C THR A 77 3.683 -8.319 6.327 1.00 0.00 C ATOM 1294 O THR A 77 3.189 -8.983 5.415 1.00 0.00 O ATOM 1295 CB THR A 77 5.742 -9.467 7.173 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.412 -9.952 8.322 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.604 -8.379 6.565 1.00 0.00 C ATOM 0 H THR A 77 3.187 -10.733 7.236 1.00 0.00 H new ATOM 0 HA THR A 77 4.388 -8.276 8.343 1.00 0.00 H new ATOM 0 HB THR A 77 5.605 -10.253 6.430 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.313 -10.248 8.075 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.591 -8.781 6.337 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.139 -8.017 5.648 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.702 -7.555 7.272 1.00 0.00 H new ATOM 1305 N LEU A 78 3.693 -6.989 6.330 1.00 0.00 N ATOM 1306 CA LEU A 78 3.114 -6.216 5.237 1.00 0.00 C ATOM 1307 C LEU A 78 4.185 -5.844 4.217 1.00 0.00 C ATOM 1308 O LEU A 78 4.866 -4.828 4.359 1.00 0.00 O ATOM 1309 CB LEU A 78 2.442 -4.951 5.773 1.00 0.00 C ATOM 1310 CG LEU A 78 1.840 -4.034 4.707 1.00 0.00 C ATOM 1311 CD1 LEU A 78 0.886 -4.811 3.813 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.126 -2.858 5.357 1.00 0.00 C ATOM 0 H LEU A 78 4.096 -6.424 7.078 1.00 0.00 H new ATOM 0 HA LEU A 78 2.362 -6.833 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.653 -5.243 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.175 -4.384 6.346 1.00 0.00 H new ATOM 0 HG LEU A 78 2.650 -3.645 4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.467 -4.143 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.426 -5.619 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.080 -5.228 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.704 -2.216 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.326 -3.228 5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.836 -2.287 5.955 1.00 0.00 H new ATOM 1324 N PHE A 79 4.332 -6.676 3.192 1.00 0.00 N ATOM 1325 CA PHE A 79 5.323 -6.440 2.150 1.00 0.00 C ATOM 1326 C PHE A 79 4.732 -5.602 1.018 1.00 0.00 C ATOM 1327 O PHE A 79 3.858 -6.060 0.281 1.00 0.00 O ATOM 1328 CB PHE A 79 5.845 -7.778 1.612 1.00 0.00 C ATOM 1329 CG PHE A 79 6.643 -7.661 0.342 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.557 -6.634 0.172 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.476 -8.581 -0.680 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.290 -6.527 -0.995 1.00 0.00 C ATOM 1333 CE2 PHE A 79 7.207 -8.480 -1.848 1.00 0.00 C ATOM 1334 CZ PHE A 79 8.115 -7.451 -2.006 1.00 0.00 C ATOM 0 H PHE A 79 3.776 -7.521 3.061 1.00 0.00 H new ATOM 0 HA PHE A 79 6.155 -5.884 2.582 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.465 -8.247 2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.998 -8.442 1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.698 -5.909 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.766 -9.386 -0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.999 -5.721 -1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 79 7.069 -9.205 -2.637 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.687 -7.369 -2.919 1.00 0.00 H new ATOM 1344 N LEU A 80 5.218 -4.370 0.889 1.00 0.00 N ATOM 1345 CA LEU A 80 4.741 -3.464 -0.150 1.00 0.00 C ATOM 1346 C LEU A 80 5.239 -3.902 -1.524 1.00 0.00 C ATOM 1347 O LEU A 80 6.067 -4.807 -1.635 1.00 0.00 O ATOM 1348 CB LEU A 80 5.203 -2.034 0.140 1.00 0.00 C ATOM 1349 CG LEU A 80 4.499 -1.350 1.314 1.00 0.00 C ATOM 1350 CD1 LEU A 80 2.989 -1.436 1.154 1.00 0.00 C ATOM 1351 CD2 LEU A 80 4.933 -1.971 2.632 1.00 0.00 C ATOM 0 H LEU A 80 5.942 -3.977 1.491 1.00 0.00 H new ATOM 0 HA LEU A 80 3.651 -3.494 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.275 -2.048 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.052 -1.431 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 80 4.784 -0.298 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.505 -0.944 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.693 -0.943 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.686 -2.482 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.422 -1.472 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.678 -3.031 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.010 -1.856 2.751 1.00 0.00 H new ATOM 1363 N VAL A 81 4.728 -3.257 -2.567 1.00 0.00 N ATOM 1364 CA VAL A 81 5.120 -3.583 -3.934 1.00 0.00 C ATOM 1365 C VAL A 81 5.330 -2.318 -4.764 1.00 0.00 C ATOM 1366 O VAL A 81 6.463 -1.956 -5.085 1.00 0.00 O ATOM 1367 CB VAL A 81 4.069 -4.478 -4.624 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.486 -4.805 -6.053 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.846 -5.753 -3.824 1.00 0.00 C ATOM 0 H VAL A 81 4.042 -2.506 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 81 6.061 -4.129 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 81 3.129 -3.928 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.729 -5.437 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.587 -3.881 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.441 -5.331 -6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.102 -6.372 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.784 -6.303 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.492 -5.498 -2.825 1.00 0.00 H new ATOM 1379 N ARG A 82 4.233 -1.651 -5.113 1.00 0.00 N ATOM 1380 CA ARG A 82 4.302 -0.430 -5.911 1.00 0.00 C ATOM 1381 C ARG A 82 3.783 0.770 -5.123 1.00 0.00 C ATOM 1382 O ARG A 82 3.217 0.619 -4.041 1.00 0.00 O ATOM 1383 CB ARG A 82 3.498 -0.596 -7.201 1.00 0.00 C ATOM 1384 CG ARG A 82 4.330 -1.078 -8.377 1.00 0.00 C ATOM 1385 CD ARG A 82 4.626 0.053 -9.352 1.00 0.00 C ATOM 1386 NE ARG A 82 3.462 0.394 -10.166 1.00 0.00 N ATOM 1387 CZ ARG A 82 3.068 -0.305 -11.227 1.00 0.00 C ATOM 1388 NH1 ARG A 82 3.742 -1.383 -11.607 1.00 0.00 N ATOM 1389 NH2 ARG A 82 1.997 0.074 -11.910 1.00 0.00 N ATOM 0 H ARG A 82 3.287 -1.935 -4.856 1.00 0.00 H new ATOM 0 HA ARG A 82 5.347 -0.248 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.687 -1.303 -7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.038 0.358 -7.458 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.267 -1.500 -8.013 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.800 -1.877 -8.895 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.951 0.933 -8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.451 -0.236 -10.003 1.00 0.00 H new ATOM 0 HE ARG A 82 2.919 1.217 -9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.567 -1.679 -11.085 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.436 -1.915 -12.421 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.475 0.902 -11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.695 -0.462 -12.724 1.00 0.00 H new ATOM 1403 N LEU A 83 3.980 1.963 -5.680 1.00 0.00 N ATOM 1404 CA LEU A 83 3.533 3.193 -5.034 1.00 0.00 C ATOM 1405 C LEU A 83 3.832 4.405 -5.912 1.00 0.00 C ATOM 1406 O LEU A 83 4.923 4.528 -6.466 1.00 0.00 O ATOM 1407 CB LEU A 83 4.215 3.356 -3.674 1.00 0.00 C ATOM 1408 CG LEU A 83 3.810 4.608 -2.893 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.829 4.334 -1.399 1.00 0.00 C ATOM 1410 CD2 LEU A 83 4.731 5.769 -3.236 1.00 0.00 C ATOM 0 H LEU A 83 4.446 2.103 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 83 2.455 3.127 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.993 2.479 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.294 3.374 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 83 2.793 4.879 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.538 5.236 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.129 3.531 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.833 4.038 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.429 6.652 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.757 5.507 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.667 5.981 -4.303 1.00 0.00 H new ATOM 1422 N GLY A 84 2.855 5.298 -6.032 1.00 0.00 N ATOM 1423 CA GLY A 84 3.037 6.489 -6.844 1.00 0.00 C ATOM 1424 C GLY A 84 1.757 6.930 -7.524 1.00 0.00 C ATOM 1425 O GLY A 84 0.676 6.436 -7.206 1.00 0.00 O ATOM 0 H GLY A 84 1.942 5.219 -5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.409 7.299 -6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.798 6.296 -7.600 1.00 0.00 H new ATOM 1429 N SER A 85 1.878 7.863 -8.462 1.00 0.00 N ATOM 1430 CA SER A 85 0.721 8.371 -9.188 1.00 0.00 C ATOM 1431 C SER A 85 0.559 7.650 -10.522 1.00 0.00 C ATOM 1432 O SER A 85 1.544 7.302 -11.175 1.00 0.00 O ATOM 1433 CB SER A 85 0.859 9.877 -9.419 1.00 0.00 C ATOM 1434 OG SER A 85 -0.409 10.511 -9.423 1.00 0.00 O ATOM 0 H SER A 85 2.766 8.283 -8.737 1.00 0.00 H new ATOM 0 HA SER A 85 -0.168 8.185 -8.585 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.484 10.312 -8.639 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.362 10.058 -10.369 1.00 0.00 H new ATOM 0 HG SER A 85 -0.934 10.198 -8.657 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.689 7.429 -10.922 1.00 0.00 N ATOM 1441 CA HIS A 86 -0.980 6.747 -12.178 1.00 0.00 C ATOM 1442 C HIS A 86 -0.381 7.503 -13.361 1.00 0.00 C ATOM 1443 O HIS A 86 0.069 6.896 -14.334 1.00 0.00 O ATOM 1444 CB HIS A 86 -2.493 6.600 -12.362 1.00 0.00 C ATOM 1445 CG HIS A 86 -2.933 5.187 -12.589 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -2.199 4.279 -13.322 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -4.040 4.526 -12.175 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -2.836 3.120 -13.349 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -3.955 3.244 -12.660 1.00 0.00 N ATOM 0 H HIS A 86 -1.515 7.712 -10.395 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.527 5.756 -12.139 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.998 6.992 -11.479 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.809 7.211 -13.208 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.841 4.932 -11.575 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -2.498 2.225 -13.850 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.645 2.507 -12.512 1.00 0.00 H new ATOM 1458 N SER A 87 -0.380 8.829 -13.272 1.00 0.00 N ATOM 1459 CA SER A 87 0.161 9.666 -14.335 1.00 0.00 C ATOM 1460 C SER A 87 1.686 9.676 -14.299 1.00 0.00 C ATOM 1461 O SER A 87 2.342 9.511 -15.328 1.00 0.00 O ATOM 1462 CB SER A 87 -0.372 11.095 -14.210 1.00 0.00 C ATOM 1463 OG SER A 87 -1.734 11.168 -14.598 1.00 0.00 O ATOM 0 H SER A 87 -0.748 9.347 -12.474 1.00 0.00 H new ATOM 0 HA SER A 87 -0.159 9.248 -15.289 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.265 11.437 -13.181 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.223 11.764 -14.832 1.00 0.00 H new ATOM 0 HG SER A 87 -2.051 12.091 -14.507 1.00 0.00 H new ATOM 1469 N GLU A 88 2.244 9.873 -13.109 1.00 0.00 N ATOM 1470 CA GLU A 88 3.692 9.905 -12.939 1.00 0.00 C ATOM 1471 C GLU A 88 4.323 8.590 -13.386 1.00 0.00 C ATOM 1472 O GLU A 88 5.269 8.580 -14.173 1.00 0.00 O ATOM 1473 CB GLU A 88 4.048 10.187 -11.478 1.00 0.00 C ATOM 1474 CG GLU A 88 5.158 11.214 -11.310 1.00 0.00 C ATOM 1475 CD GLU A 88 6.406 10.855 -12.089 1.00 0.00 C ATOM 1476 OE1 GLU A 88 7.088 9.880 -11.706 1.00 0.00 O ATOM 1477 OE2 GLU A 88 6.705 11.547 -13.086 1.00 0.00 O ATOM 0 H GLU A 88 1.715 10.013 -12.248 1.00 0.00 H new ATOM 0 HA GLU A 88 4.089 10.706 -13.563 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.157 10.538 -10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.351 9.255 -11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.798 12.189 -11.637 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.407 11.304 -10.253 1.00 0.00 H new ATOM 1484 N LEU A 89 3.794 7.483 -12.877 1.00 0.00 N ATOM 1485 CA LEU A 89 4.306 6.163 -13.223 1.00 0.00 C ATOM 1486 C LEU A 89 4.141 5.890 -14.716 1.00 0.00 C ATOM 1487 O LEU A 89 4.942 5.176 -15.319 1.00 0.00 O ATOM 1488 CB LEU A 89 3.585 5.084 -12.408 1.00 0.00 C ATOM 1489 CG LEU A 89 4.462 4.351 -11.390 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.597 3.620 -12.091 1.00 0.00 C ATOM 1491 CD2 LEU A 89 5.008 5.325 -10.359 1.00 0.00 C ATOM 0 H LEU A 89 3.011 7.474 -12.223 1.00 0.00 H new ATOM 0 HA LEU A 89 5.369 6.137 -12.984 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.750 5.545 -11.881 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.163 4.352 -13.096 1.00 0.00 H new ATOM 0 HG LEU A 89 3.848 3.613 -10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.210 3.105 -11.351 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.184 2.893 -12.790 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.211 4.338 -12.634 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.629 4.787 -9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.607 6.086 -10.859 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.180 5.802 -9.834 1.00 0.00 H new