USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 663 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 34 GLN : amide:sc= 0.362 X(o=0.22,f=-0.26) USER MOD Set 1.2: A 38 ASN : amide:sc=0.000847 K(o=0.22,f=-2) USER MOD Set 1.3: A 48 LYS NZ :NH3+ 130:sc= -0.14 (180deg=-0.743) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -102:sc= 1.27 USER MOD Single : A 8 GLN : amide:sc= 0.52 K(o=0.52,f=-1.2!) USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0108) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : +bothHN:sc= 1.61 K(o=1.6,f=-8.6!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0839 X(o=-0.084,f=-0.34) USER MOD Single : A 28 LYS NZ :NH3+ 146:sc= 1.38 (180deg=0.656) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 81:sc= 1.25 USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= 0.358 (180deg=-0.0186) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.314 F(o=-0.88,f=-0.31) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0789 USER MOD Single : A 74 GLN :FLIP amide:sc=-0.00688 F(o=-0.86,f=-0.0069) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 80 SER OG : rot 180:sc= -0.29 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -12.076 9.598 -1.909 1.00 0.00 N ATOM 2 CA GLY A 2 -11.373 8.492 -1.298 1.00 0.00 C ATOM 3 C GLY A 2 -9.947 8.407 -1.785 1.00 0.00 C ATOM 4 O GLY A 2 -9.379 9.418 -2.215 1.00 0.00 O ATOM 0 HA2 GLY A 2 -11.382 8.608 -0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.892 7.560 -1.524 1.00 0.00 H new ATOM 10 N ILE A 3 -9.403 7.176 -1.781 1.00 0.00 N ATOM 11 CA ILE A 3 -7.987 6.839 -2.109 1.00 0.00 C ATOM 12 C ILE A 3 -7.501 7.454 -3.429 1.00 0.00 C ATOM 13 O ILE A 3 -6.315 7.718 -3.598 1.00 0.00 O ATOM 14 CB ILE A 3 -7.802 5.288 -2.133 1.00 0.00 C ATOM 15 CG1 ILE A 3 -6.318 4.837 -2.121 1.00 0.00 C ATOM 16 CG2 ILE A 3 -8.548 4.642 -3.303 1.00 0.00 C ATOM 17 CD1 ILE A 3 -5.572 5.246 -0.878 1.00 0.00 C ATOM 0 H ILE A 3 -9.951 6.350 -1.541 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.371 7.278 -1.324 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.243 4.936 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.276 3.752 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.813 5.255 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.393 3.563 -3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.613 4.857 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.170 5.045 -4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.541 4.896 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.582 6.332 -0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.052 4.806 -0.004 1.00 0.00 H new ATOM 29 N LYS A 4 -8.440 7.721 -4.313 1.00 0.00 N ATOM 30 CA LYS A 4 -8.189 8.267 -5.630 1.00 0.00 C ATOM 31 C LYS A 4 -7.444 9.620 -5.575 1.00 0.00 C ATOM 32 O LYS A 4 -6.724 9.975 -6.509 1.00 0.00 O ATOM 33 CB LYS A 4 -9.531 8.412 -6.351 1.00 0.00 C ATOM 34 CG LYS A 4 -9.452 8.943 -7.767 1.00 0.00 C ATOM 35 CD LYS A 4 -10.828 9.008 -8.383 1.00 0.00 C ATOM 36 CE LYS A 4 -10.772 9.543 -9.792 1.00 0.00 C ATOM 37 NZ LYS A 4 -12.096 9.565 -10.432 1.00 0.00 N ATOM 0 H LYS A 4 -9.430 7.559 -4.128 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.536 7.585 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.020 7.438 -6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.168 9.076 -5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.000 9.935 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.808 8.301 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.275 8.014 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.471 9.644 -7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.360 10.552 -9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.094 8.929 -10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.008 9.940 -11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.480 8.599 -10.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.737 10.172 -9.882 1.00 0.00 H new ATOM 51 N GLN A 5 -7.587 10.350 -4.485 1.00 0.00 N ATOM 52 CA GLN A 5 -6.968 11.653 -4.402 1.00 0.00 C ATOM 53 C GLN A 5 -6.101 11.854 -3.159 1.00 0.00 C ATOM 54 O GLN A 5 -5.953 12.968 -2.665 1.00 0.00 O ATOM 55 CB GLN A 5 -7.997 12.764 -4.608 1.00 0.00 C ATOM 56 CG GLN A 5 -9.223 12.709 -3.719 1.00 0.00 C ATOM 57 CD GLN A 5 -10.236 13.757 -4.129 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.881 14.829 -4.641 1.00 0.00 O ATOM 59 NE2 GLN A 5 -11.484 13.461 -3.959 1.00 0.00 N ATOM 0 H GLN A 5 -8.117 10.067 -3.660 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.258 11.711 -5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.503 13.723 -4.452 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.325 12.740 -5.647 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.675 11.719 -3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.931 12.866 -2.681 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.744 12.571 -3.535 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.208 14.118 -4.249 1.00 0.00 H new ATOM 68 N TYR A 6 -5.476 10.781 -2.696 1.00 0.00 N ATOM 69 CA TYR A 6 -4.511 10.894 -1.602 1.00 0.00 C ATOM 70 C TYR A 6 -3.217 11.502 -2.141 1.00 0.00 C ATOM 71 O TYR A 6 -2.844 11.262 -3.294 1.00 0.00 O ATOM 72 CB TYR A 6 -4.203 9.535 -0.944 1.00 0.00 C ATOM 73 CG TYR A 6 -5.277 8.967 -0.016 1.00 0.00 C ATOM 74 CD1 TYR A 6 -6.617 9.244 -0.190 1.00 0.00 C ATOM 75 CD2 TYR A 6 -4.921 8.145 1.048 1.00 0.00 C ATOM 76 CE1 TYR A 6 -7.572 8.720 0.662 1.00 0.00 C ATOM 77 CE2 TYR A 6 -5.868 7.615 1.897 1.00 0.00 C ATOM 78 CZ TYR A 6 -7.192 7.907 1.697 1.00 0.00 C ATOM 79 OH TYR A 6 -8.148 7.366 2.527 1.00 0.00 O ATOM 0 H TYR A 6 -5.613 9.835 -3.051 1.00 0.00 H new ATOM 0 HA TYR A 6 -4.951 11.532 -0.836 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.016 8.808 -1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.278 9.633 -0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.926 9.881 -1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.878 7.917 1.213 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.616 8.951 0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.569 6.975 2.714 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.714 6.812 3.209 1.00 0.00 H new ATOM 89 N SER A 7 -2.547 12.278 -1.328 1.00 0.00 N ATOM 90 CA SER A 7 -1.322 12.930 -1.736 1.00 0.00 C ATOM 91 C SER A 7 -0.115 11.989 -1.508 1.00 0.00 C ATOM 92 O SER A 7 -0.279 10.856 -1.011 1.00 0.00 O ATOM 93 CB SER A 7 -1.187 14.273 -0.988 1.00 0.00 C ATOM 94 OG SER A 7 -0.097 15.050 -1.466 1.00 0.00 O ATOM 0 H SER A 7 -2.831 12.477 -0.369 1.00 0.00 H new ATOM 0 HA SER A 7 -1.346 13.150 -2.803 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.111 14.841 -1.097 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.054 14.081 0.077 1.00 0.00 H new ATOM 0 HG SER A 7 0.656 14.976 -0.843 1.00 0.00 H new ATOM 100 N GLN A 8 1.076 12.457 -1.859 1.00 0.00 N ATOM 101 CA GLN A 8 2.275 11.639 -1.821 1.00 0.00 C ATOM 102 C GLN A 8 2.608 11.210 -0.396 1.00 0.00 C ATOM 103 O GLN A 8 2.728 10.020 -0.110 1.00 0.00 O ATOM 104 CB GLN A 8 3.468 12.416 -2.356 1.00 0.00 C ATOM 105 CG GLN A 8 4.648 11.526 -2.680 1.00 0.00 C ATOM 106 CD GLN A 8 5.960 12.289 -2.798 1.00 0.00 C ATOM 107 OE1 GLN A 8 6.167 13.306 -2.135 1.00 0.00 O ATOM 108 NE2 GLN A 8 6.854 11.813 -3.623 1.00 0.00 N ATOM 0 H GLN A 8 1.235 13.413 -2.177 1.00 0.00 H new ATOM 0 HA GLN A 8 2.079 10.761 -2.437 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.170 12.958 -3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.771 13.160 -1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.746 10.766 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.454 11.003 -3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.655 10.969 -4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.751 12.286 -3.731 1.00 0.00 H new ATOM 117 N GLU A 9 2.680 12.180 0.494 1.00 0.00 N ATOM 118 CA GLU A 9 3.067 11.967 1.885 1.00 0.00 C ATOM 119 C GLU A 9 1.973 11.259 2.633 1.00 0.00 C ATOM 120 O GLU A 9 2.230 10.523 3.578 1.00 0.00 O ATOM 121 CB GLU A 9 3.471 13.276 2.605 1.00 0.00 C ATOM 122 CG GLU A 9 2.417 14.384 2.620 1.00 0.00 C ATOM 123 CD GLU A 9 2.249 15.064 1.289 1.00 0.00 C ATOM 124 OE1 GLU A 9 1.550 14.543 0.430 1.00 0.00 O ATOM 125 OE2 GLU A 9 2.822 16.137 1.096 1.00 0.00 O ATOM 0 H GLU A 9 2.470 13.153 0.274 1.00 0.00 H new ATOM 0 HA GLU A 9 3.955 11.335 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.731 13.035 3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.372 13.665 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.460 13.962 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.692 15.128 3.368 1.00 0.00 H new ATOM 132 N GLU A 10 0.759 11.478 2.178 1.00 0.00 N ATOM 133 CA GLU A 10 -0.414 10.816 2.706 1.00 0.00 C ATOM 134 C GLU A 10 -0.194 9.303 2.622 1.00 0.00 C ATOM 135 O GLU A 10 -0.212 8.592 3.618 1.00 0.00 O ATOM 136 CB GLU A 10 -1.596 11.204 1.822 1.00 0.00 C ATOM 137 CG GLU A 10 -2.936 10.626 2.235 1.00 0.00 C ATOM 138 CD GLU A 10 -3.448 11.167 3.542 1.00 0.00 C ATOM 139 OE1 GLU A 10 -3.918 12.299 3.562 1.00 0.00 O ATOM 140 OE2 GLU A 10 -3.434 10.456 4.545 1.00 0.00 O ATOM 0 H GLU A 10 0.556 12.130 1.420 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.600 11.102 3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.677 12.291 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.383 10.888 0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.668 10.833 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.847 9.542 2.310 1.00 0.00 H new ATOM 147 N LEU A 11 0.108 8.855 1.428 1.00 0.00 N ATOM 148 CA LEU A 11 0.365 7.459 1.157 1.00 0.00 C ATOM 149 C LEU A 11 1.704 6.996 1.756 1.00 0.00 C ATOM 150 O LEU A 11 1.883 5.821 2.038 1.00 0.00 O ATOM 151 CB LEU A 11 0.317 7.221 -0.337 1.00 0.00 C ATOM 152 CG LEU A 11 -1.015 7.528 -1.013 1.00 0.00 C ATOM 153 CD1 LEU A 11 -0.868 7.466 -2.514 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.078 6.549 -0.557 1.00 0.00 C ATOM 0 H LEU A 11 0.183 9.455 0.607 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.411 6.863 1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.091 7.827 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.569 6.178 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.320 8.535 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.827 7.687 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.128 8.198 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.543 6.468 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.022 6.782 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.774 5.535 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.203 6.625 0.523 1.00 0.00 H new ATOM 166 N LYS A 12 2.650 7.922 1.917 1.00 0.00 N ATOM 167 CA LYS A 12 3.946 7.599 2.533 1.00 0.00 C ATOM 168 C LYS A 12 3.766 7.150 3.977 1.00 0.00 C ATOM 169 O LYS A 12 4.345 6.155 4.396 1.00 0.00 O ATOM 170 CB LYS A 12 4.874 8.824 2.548 1.00 0.00 C ATOM 171 CG LYS A 12 5.383 9.310 1.204 1.00 0.00 C ATOM 172 CD LYS A 12 6.456 8.410 0.641 1.00 0.00 C ATOM 173 CE LYS A 12 6.952 8.938 -0.686 1.00 0.00 C ATOM 174 NZ LYS A 12 8.112 8.187 -1.189 1.00 0.00 N ATOM 0 H LYS A 12 2.549 8.896 1.633 1.00 0.00 H new ATOM 0 HA LYS A 12 4.384 6.799 1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.344 9.646 3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.735 8.591 3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.552 9.365 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.778 10.320 1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.286 8.341 1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.062 7.402 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.146 8.889 -1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.222 9.989 -0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.436 8.607 -2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.881 8.226 -0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.841 7.196 -1.351 1.00 0.00 H new ATOM 188 N GLU A 13 2.930 7.849 4.711 1.00 0.00 N ATOM 189 CA GLU A 13 2.790 7.578 6.127 1.00 0.00 C ATOM 190 C GLU A 13 1.692 6.545 6.409 1.00 0.00 C ATOM 191 O GLU A 13 1.724 5.855 7.440 1.00 0.00 O ATOM 192 CB GLU A 13 2.509 8.872 6.895 1.00 0.00 C ATOM 193 CG GLU A 13 3.478 10.023 6.592 1.00 0.00 C ATOM 194 CD GLU A 13 4.933 9.672 6.769 1.00 0.00 C ATOM 195 OE1 GLU A 13 5.367 9.442 7.919 1.00 0.00 O ATOM 196 OE2 GLU A 13 5.676 9.675 5.772 1.00 0.00 O ATOM 0 H GLU A 13 2.341 8.603 4.357 1.00 0.00 H new ATOM 0 HA GLU A 13 3.734 7.156 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.495 9.200 6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.543 8.659 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.319 10.356 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.238 10.865 7.241 1.00 0.00 H new ATOM 203 N MET A 14 0.726 6.442 5.511 1.00 0.00 N ATOM 204 CA MET A 14 -0.380 5.494 5.675 1.00 0.00 C ATOM 205 C MET A 14 0.064 4.050 5.557 1.00 0.00 C ATOM 206 O MET A 14 1.111 3.749 4.982 1.00 0.00 O ATOM 207 CB MET A 14 -1.541 5.776 4.715 1.00 0.00 C ATOM 208 CG MET A 14 -2.389 6.970 5.109 1.00 0.00 C ATOM 209 SD MET A 14 -3.168 6.739 6.718 1.00 0.00 S ATOM 210 CE MET A 14 -4.071 8.271 6.862 1.00 0.00 C ATOM 0 H MET A 14 0.679 7.000 4.659 1.00 0.00 H new ATOM 0 HA MET A 14 -0.741 5.646 6.692 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.140 5.942 3.715 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.178 4.893 4.661 1.00 0.00 H new ATOM 0 HG2 MET A 14 -1.767 7.865 5.132 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.158 7.135 4.354 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.611 8.287 7.809 1.00 0.00 H new ATOM 0 HE2 MET A 14 -3.374 9.109 6.827 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.780 8.354 6.038 1.00 0.00 H new ATOM 220 N ALA A 15 -0.737 3.168 6.113 1.00 0.00 N ATOM 221 CA ALA A 15 -0.462 1.757 6.107 1.00 0.00 C ATOM 222 C ALA A 15 -0.619 1.194 4.718 1.00 0.00 C ATOM 223 O ALA A 15 -1.625 1.458 4.045 1.00 0.00 O ATOM 224 CB ALA A 15 -1.376 1.030 7.079 1.00 0.00 C ATOM 0 H ALA A 15 -1.606 3.418 6.586 1.00 0.00 H new ATOM 0 HA ALA A 15 0.569 1.608 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.153 -0.037 7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.217 1.416 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.415 1.188 6.789 1.00 0.00 H new ATOM 230 N LEU A 16 0.352 0.403 4.309 1.00 0.00 N ATOM 231 CA LEU A 16 0.388 -0.208 2.984 1.00 0.00 C ATOM 232 C LEU A 16 -0.869 -1.023 2.728 1.00 0.00 C ATOM 233 O LEU A 16 -1.532 -0.859 1.692 1.00 0.00 O ATOM 234 CB LEU A 16 1.640 -1.099 2.802 1.00 0.00 C ATOM 235 CG LEU A 16 3.028 -0.424 2.663 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.091 0.452 1.426 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.427 0.355 3.912 1.00 0.00 C ATOM 0 H LEU A 16 1.153 0.159 4.892 1.00 0.00 H new ATOM 0 HA LEU A 16 0.438 0.603 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.688 -1.778 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.482 -1.712 1.915 1.00 0.00 H new ATOM 0 HG LEU A 16 3.757 -1.227 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.077 0.912 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.910 -0.156 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.331 1.231 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.407 0.808 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.692 1.137 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.468 -0.322 4.765 1.00 0.00 H new ATOM 249 N VAL A 17 -1.203 -1.888 3.673 1.00 0.00 N ATOM 250 CA VAL A 17 -2.404 -2.703 3.595 1.00 0.00 C ATOM 251 C VAL A 17 -3.695 -1.844 3.531 1.00 0.00 C ATOM 252 O VAL A 17 -4.653 -2.211 2.855 1.00 0.00 O ATOM 253 CB VAL A 17 -2.479 -3.729 4.764 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.590 -3.048 6.126 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.608 -4.711 4.547 1.00 0.00 C ATOM 0 H VAL A 17 -0.649 -2.044 4.515 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.338 -3.260 2.661 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.540 -4.283 4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.639 -3.805 6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.718 -2.415 6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.492 -2.437 6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.640 -5.417 5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.554 -4.172 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.445 -5.253 3.615 1.00 0.00 H new ATOM 265 N GLU A 18 -3.693 -0.684 4.183 1.00 0.00 N ATOM 266 CA GLU A 18 -4.866 0.186 4.186 1.00 0.00 C ATOM 267 C GLU A 18 -5.027 0.824 2.808 1.00 0.00 C ATOM 268 O GLU A 18 -6.132 0.875 2.261 1.00 0.00 O ATOM 269 CB GLU A 18 -4.758 1.250 5.289 1.00 0.00 C ATOM 270 CG GLU A 18 -5.963 2.183 5.403 1.00 0.00 C ATOM 271 CD GLU A 18 -7.263 1.451 5.660 1.00 0.00 C ATOM 272 OE1 GLU A 18 -7.532 1.053 6.819 1.00 0.00 O ATOM 273 OE2 GLU A 18 -8.051 1.267 4.718 1.00 0.00 O ATOM 0 H GLU A 18 -2.898 -0.326 4.713 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.754 -0.409 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.614 0.748 6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.867 1.851 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.788 2.894 6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.055 2.761 4.483 1.00 0.00 H new ATOM 280 N ILE A 19 -3.908 1.262 2.239 1.00 0.00 N ATOM 281 CA ILE A 19 -3.880 1.820 0.889 1.00 0.00 C ATOM 282 C ILE A 19 -4.432 0.778 -0.083 1.00 0.00 C ATOM 283 O ILE A 19 -5.376 1.039 -0.825 1.00 0.00 O ATOM 284 CB ILE A 19 -2.426 2.189 0.469 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.832 3.224 1.434 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.389 2.711 -0.970 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.370 3.534 1.184 1.00 0.00 C ATOM 0 H ILE A 19 -2.997 1.241 2.698 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.486 2.726 0.869 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.819 1.285 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.406 4.147 1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.946 2.860 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.363 2.962 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.764 1.942 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.013 3.601 -1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.026 4.273 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.218 2.622 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.249 3.929 0.175 1.00 0.00 H new ATOM 299 N ALA A 20 -3.853 -0.410 -0.012 1.00 0.00 N ATOM 300 CA ALA A 20 -4.252 -1.562 -0.821 1.00 0.00 C ATOM 301 C ALA A 20 -5.743 -1.865 -0.647 1.00 0.00 C ATOM 302 O ALA A 20 -6.466 -2.071 -1.638 1.00 0.00 O ATOM 303 CB ALA A 20 -3.410 -2.775 -0.460 1.00 0.00 C ATOM 0 H ALA A 20 -3.078 -0.609 0.620 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.081 -1.320 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.717 -3.625 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.358 -2.556 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.550 -3.014 0.594 1.00 0.00 H new ATOM 309 N HIS A 21 -6.206 -1.848 0.612 1.00 0.00 N ATOM 310 CA HIS A 21 -7.619 -2.037 0.944 1.00 0.00 C ATOM 311 C HIS A 21 -8.484 -1.071 0.165 1.00 0.00 C ATOM 312 O HIS A 21 -9.505 -1.464 -0.367 1.00 0.00 O ATOM 313 CB HIS A 21 -7.864 -1.886 2.486 1.00 0.00 C ATOM 314 CG HIS A 21 -9.292 -1.540 2.882 1.00 0.00 C ATOM 315 ND1 HIS A 21 -9.628 -0.332 3.419 1.00 0.00 N ATOM 316 CD2 HIS A 21 -10.459 -2.219 2.753 1.00 0.00 C ATOM 317 CE1 HIS A 21 -10.926 -0.263 3.589 1.00 0.00 C ATOM 318 NE2 HIS A 21 -11.458 -1.392 3.196 1.00 0.00 N ATOM 0 H HIS A 21 -5.608 -1.703 1.426 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.898 -3.052 0.661 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.583 -2.819 2.976 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.199 -1.112 2.870 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -8.967 0.408 3.654 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.579 -3.223 2.373 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.466 0.584 3.987 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -12.452 -1.619 3.216 1.00 0.00 H new ATOM 327 N GLU A 22 -8.067 0.160 0.085 1.00 0.00 N ATOM 328 CA GLU A 22 -8.823 1.166 -0.612 1.00 0.00 C ATOM 329 C GLU A 22 -8.912 0.924 -2.122 1.00 0.00 C ATOM 330 O GLU A 22 -9.961 1.216 -2.728 1.00 0.00 O ATOM 331 CB GLU A 22 -8.319 2.541 -0.305 1.00 0.00 C ATOM 332 CG GLU A 22 -8.688 3.054 1.070 1.00 0.00 C ATOM 333 CD GLU A 22 -10.184 3.180 1.230 1.00 0.00 C ATOM 334 OE1 GLU A 22 -10.803 4.002 0.506 1.00 0.00 O ATOM 335 OE2 GLU A 22 -10.761 2.488 2.084 1.00 0.00 O ATOM 0 H GLU A 22 -7.197 0.496 0.499 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.843 1.088 -0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.233 2.546 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.708 3.232 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.295 2.378 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.220 4.025 1.235 1.00 0.00 H new ATOM 342 N LEU A 23 -7.843 0.382 -2.738 1.00 0.00 N ATOM 343 CA LEU A 23 -7.902 0.030 -4.176 1.00 0.00 C ATOM 344 C LEU A 23 -9.013 -0.957 -4.405 1.00 0.00 C ATOM 345 O LEU A 23 -9.812 -0.819 -5.327 1.00 0.00 O ATOM 346 CB LEU A 23 -6.593 -0.604 -4.739 1.00 0.00 C ATOM 347 CG LEU A 23 -5.392 0.304 -5.062 1.00 0.00 C ATOM 348 CD1 LEU A 23 -5.787 1.438 -5.999 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.739 0.828 -3.814 1.00 0.00 C ATOM 0 H LEU A 23 -6.953 0.182 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.062 0.973 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.255 -1.350 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.855 -1.138 -5.653 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.655 -0.310 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.916 2.059 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.167 1.023 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.562 2.044 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.896 1.464 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.462 1.408 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.384 -0.008 -3.211 1.00 0.00 H new ATOM 361 N PHE A 24 -9.078 -1.933 -3.542 1.00 0.00 N ATOM 362 CA PHE A 24 -10.050 -2.989 -3.661 1.00 0.00 C ATOM 363 C PHE A 24 -11.425 -2.550 -3.236 1.00 0.00 C ATOM 364 O PHE A 24 -12.411 -3.008 -3.781 1.00 0.00 O ATOM 365 CB PHE A 24 -9.598 -4.221 -2.907 1.00 0.00 C ATOM 366 CG PHE A 24 -8.392 -4.818 -3.520 1.00 0.00 C ATOM 367 CD1 PHE A 24 -8.490 -5.492 -4.708 1.00 0.00 C ATOM 368 CD2 PHE A 24 -7.168 -4.700 -2.927 1.00 0.00 C ATOM 369 CE1 PHE A 24 -7.390 -6.034 -5.290 1.00 0.00 C ATOM 370 CE2 PHE A 24 -6.053 -5.244 -3.503 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.165 -5.915 -4.693 1.00 0.00 C ATOM 0 H PHE A 24 -8.459 -2.020 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.123 -3.247 -4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.388 -3.958 -1.870 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.403 -4.956 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.453 -5.593 -5.187 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.079 -4.170 -1.990 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.482 -6.561 -6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.090 -5.145 -3.023 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.291 -6.347 -5.157 1.00 0.00 H new ATOM 381 N GLU A 25 -11.476 -1.646 -2.295 1.00 0.00 N ATOM 382 CA GLU A 25 -12.720 -1.107 -1.798 1.00 0.00 C ATOM 383 C GLU A 25 -13.480 -0.439 -2.954 1.00 0.00 C ATOM 384 O GLU A 25 -14.676 -0.663 -3.144 1.00 0.00 O ATOM 385 CB GLU A 25 -12.423 -0.102 -0.679 1.00 0.00 C ATOM 386 CG GLU A 25 -13.627 0.316 0.135 1.00 0.00 C ATOM 387 CD GLU A 25 -14.256 -0.844 0.873 1.00 0.00 C ATOM 388 OE1 GLU A 25 -13.784 -1.198 1.980 1.00 0.00 O ATOM 389 OE2 GLU A 25 -15.246 -1.408 0.381 1.00 0.00 O ATOM 0 H GLU A 25 -10.648 -1.257 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.343 -1.904 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.681 -0.536 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.973 0.788 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.329 1.081 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.368 0.768 -0.524 1.00 0.00 H new ATOM 396 N GLU A 26 -12.774 0.336 -3.759 1.00 0.00 N ATOM 397 CA GLU A 26 -13.405 0.970 -4.888 1.00 0.00 C ATOM 398 C GLU A 26 -13.500 0.019 -6.092 1.00 0.00 C ATOM 399 O GLU A 26 -14.553 -0.053 -6.731 1.00 0.00 O ATOM 400 CB GLU A 26 -12.720 2.280 -5.275 1.00 0.00 C ATOM 401 CG GLU A 26 -13.376 2.983 -6.470 1.00 0.00 C ATOM 402 CD GLU A 26 -14.837 3.379 -6.226 1.00 0.00 C ATOM 403 OE1 GLU A 26 -15.739 2.494 -6.226 1.00 0.00 O ATOM 404 OE2 GLU A 26 -15.110 4.580 -6.056 1.00 0.00 O ATOM 0 H GLU A 26 -11.780 0.535 -3.650 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.420 1.218 -4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.729 2.953 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.675 2.079 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.802 3.877 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.327 2.326 -7.338 1.00 0.00 H new ATOM 411 N HIS A 27 -12.421 -0.717 -6.390 1.00 0.00 N ATOM 412 CA HIS A 27 -12.424 -1.633 -7.552 1.00 0.00 C ATOM 413 C HIS A 27 -13.503 -2.684 -7.448 1.00 0.00 C ATOM 414 O HIS A 27 -14.188 -2.938 -8.422 1.00 0.00 O ATOM 415 CB HIS A 27 -11.057 -2.315 -7.822 1.00 0.00 C ATOM 416 CG HIS A 27 -9.997 -1.415 -8.399 1.00 0.00 C ATOM 417 ND1 HIS A 27 -8.646 -1.719 -8.374 1.00 0.00 N ATOM 418 CD2 HIS A 27 -10.094 -0.234 -9.045 1.00 0.00 C ATOM 419 CE1 HIS A 27 -7.973 -0.757 -8.978 1.00 0.00 C ATOM 420 NE2 HIS A 27 -8.827 0.146 -9.390 1.00 0.00 N ATOM 0 H HIS A 27 -11.550 -0.702 -5.859 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.635 -0.986 -8.404 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.686 -2.734 -6.886 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.214 -3.150 -8.505 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.004 0.310 -9.251 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.902 -0.721 -9.110 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -8.584 1.001 -9.891 1.00 0.00 H new ATOM 429 N LYS A 28 -13.637 -3.295 -6.252 1.00 0.00 N ATOM 430 CA LYS A 28 -14.636 -4.354 -5.976 1.00 0.00 C ATOM 431 C LYS A 28 -14.381 -5.581 -6.848 1.00 0.00 C ATOM 432 O LYS A 28 -15.241 -6.459 -7.018 1.00 0.00 O ATOM 433 CB LYS A 28 -16.049 -3.811 -6.170 1.00 0.00 C ATOM 434 CG LYS A 28 -16.369 -2.652 -5.250 1.00 0.00 C ATOM 435 CD LYS A 28 -17.644 -1.954 -5.656 1.00 0.00 C ATOM 436 CE LYS A 28 -17.927 -0.757 -4.760 1.00 0.00 C ATOM 437 NZ LYS A 28 -16.778 0.183 -4.692 1.00 0.00 N ATOM 0 H LYS A 28 -13.054 -3.068 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.537 -4.667 -4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.170 -3.490 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.767 -4.613 -5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.463 -3.015 -4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.544 -1.939 -5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.567 -1.625 -6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.477 -2.655 -5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.805 -0.228 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.167 -1.107 -3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.131 1.157 -4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.189 -0.048 -3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.208 0.098 -5.558 1.00 0.00 H new ATOM 451 N LYS A 29 -13.167 -5.656 -7.336 1.00 0.00 N ATOM 452 CA LYS A 29 -12.725 -6.685 -8.218 1.00 0.00 C ATOM 453 C LYS A 29 -11.366 -7.151 -7.739 1.00 0.00 C ATOM 454 O LYS A 29 -10.580 -6.326 -7.241 1.00 0.00 O ATOM 455 CB LYS A 29 -12.589 -6.143 -9.653 1.00 0.00 C ATOM 456 CG LYS A 29 -13.868 -5.569 -10.253 1.00 0.00 C ATOM 457 CD LYS A 29 -13.638 -5.111 -11.677 1.00 0.00 C ATOM 458 CE LYS A 29 -14.878 -4.474 -12.276 1.00 0.00 C ATOM 459 NZ LYS A 29 -14.636 -4.015 -13.663 1.00 0.00 N ATOM 0 H LYS A 29 -12.441 -4.974 -7.117 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.446 -7.502 -8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.823 -5.368 -9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.234 -6.948 -10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.655 -6.323 -10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.214 -4.731 -9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.816 -4.396 -11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.337 -5.962 -12.288 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.698 -5.192 -12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.188 -3.629 -11.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.503 -3.585 -14.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.870 -3.312 -13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.364 -4.826 -14.255 1.00 0.00 H new ATOM 473 N PRO A 30 -11.075 -8.459 -7.829 1.00 0.00 N ATOM 474 CA PRO A 30 -9.775 -9.006 -7.457 1.00 0.00 C ATOM 475 C PRO A 30 -8.694 -8.549 -8.413 1.00 0.00 C ATOM 476 O PRO A 30 -8.859 -8.611 -9.641 1.00 0.00 O ATOM 477 CB PRO A 30 -9.965 -10.521 -7.604 1.00 0.00 C ATOM 478 CG PRO A 30 -11.431 -10.728 -7.616 1.00 0.00 C ATOM 479 CD PRO A 30 -11.993 -9.515 -8.258 1.00 0.00 C ATOM 0 HA PRO A 30 -9.469 -8.690 -6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.508 -10.888 -8.523 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.498 -11.059 -6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.697 -11.627 -8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.819 -10.853 -6.605 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.021 -9.609 -9.344 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.014 -9.320 -7.929 1.00 0.00 H new ATOM 487 N VAL A 31 -7.604 -8.099 -7.863 1.00 0.00 N ATOM 488 CA VAL A 31 -6.500 -7.619 -8.642 1.00 0.00 C ATOM 489 C VAL A 31 -5.259 -8.365 -8.179 1.00 0.00 C ATOM 490 O VAL A 31 -5.056 -8.532 -6.966 1.00 0.00 O ATOM 491 CB VAL A 31 -6.288 -6.068 -8.459 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.133 -5.554 -9.294 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.560 -5.286 -8.786 1.00 0.00 C ATOM 0 H VAL A 31 -7.455 -8.054 -6.855 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.698 -7.793 -9.700 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.044 -5.909 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.021 -4.481 -9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.215 -6.061 -8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.331 -5.749 -10.348 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.377 -4.220 -8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.847 -5.475 -9.820 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.364 -5.605 -8.122 1.00 0.00 H new ATOM 503 N PRO A 32 -4.462 -8.902 -9.117 1.00 0.00 N ATOM 504 CA PRO A 32 -3.207 -9.579 -8.796 1.00 0.00 C ATOM 505 C PRO A 32 -2.267 -8.683 -7.998 1.00 0.00 C ATOM 506 O PRO A 32 -2.275 -7.441 -8.160 1.00 0.00 O ATOM 507 CB PRO A 32 -2.618 -9.901 -10.168 1.00 0.00 C ATOM 508 CG PRO A 32 -3.811 -10.015 -11.040 1.00 0.00 C ATOM 509 CD PRO A 32 -4.744 -8.950 -10.561 1.00 0.00 C ATOM 0 HA PRO A 32 -3.358 -10.460 -8.173 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.945 -9.115 -10.510 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.044 -10.827 -10.151 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.549 -9.868 -12.088 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.265 -11.003 -10.960 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.549 -7.993 -11.044 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.785 -9.202 -10.763 1.00 0.00 H new ATOM 517 N PHE A 33 -1.459 -9.320 -7.172 1.00 0.00 N ATOM 518 CA PHE A 33 -0.536 -8.675 -6.241 1.00 0.00 C ATOM 519 C PHE A 33 0.303 -7.597 -6.920 1.00 0.00 C ATOM 520 O PHE A 33 0.392 -6.471 -6.447 1.00 0.00 O ATOM 521 CB PHE A 33 0.388 -9.737 -5.635 1.00 0.00 C ATOM 522 CG PHE A 33 1.333 -9.222 -4.582 1.00 0.00 C ATOM 523 CD1 PHE A 33 0.924 -9.086 -3.269 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.633 -8.883 -4.910 1.00 0.00 C ATOM 525 CE1 PHE A 33 1.794 -8.620 -2.305 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.502 -8.418 -3.956 1.00 0.00 C ATOM 527 CZ PHE A 33 3.083 -8.284 -2.649 1.00 0.00 C ATOM 0 H PHE A 33 -1.422 -10.338 -7.125 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.126 -8.191 -5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.225 -10.526 -5.199 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.971 -10.192 -6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.087 -9.347 -2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.969 -8.986 -5.931 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.464 -8.519 -1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.514 -8.157 -4.228 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.765 -7.916 -1.897 1.00 0.00 H new ATOM 537 N GLN A 34 0.875 -7.937 -8.034 1.00 0.00 N ATOM 538 CA GLN A 34 1.761 -7.046 -8.724 1.00 0.00 C ATOM 539 C GLN A 34 1.009 -5.854 -9.329 1.00 0.00 C ATOM 540 O GLN A 34 1.512 -4.729 -9.319 1.00 0.00 O ATOM 541 CB GLN A 34 2.559 -7.807 -9.781 1.00 0.00 C ATOM 542 CG GLN A 34 3.620 -6.980 -10.485 1.00 0.00 C ATOM 543 CD GLN A 34 4.639 -6.386 -9.537 1.00 0.00 C ATOM 544 OE1 GLN A 34 5.643 -7.008 -9.233 1.00 0.00 O ATOM 545 NE2 GLN A 34 4.404 -5.178 -9.082 1.00 0.00 N ATOM 0 H GLN A 34 0.742 -8.839 -8.492 1.00 0.00 H new ATOM 0 HA GLN A 34 2.463 -6.635 -7.999 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.039 -8.664 -9.309 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.868 -8.200 -10.527 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.134 -7.605 -11.215 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.136 -6.175 -11.039 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.554 -4.686 -9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.072 -4.731 -8.454 1.00 0.00 H new ATOM 554 N GLU A 35 -0.220 -6.074 -9.761 1.00 0.00 N ATOM 555 CA GLU A 35 -0.969 -5.028 -10.410 1.00 0.00 C ATOM 556 C GLU A 35 -1.493 -4.038 -9.394 1.00 0.00 C ATOM 557 O GLU A 35 -1.530 -2.842 -9.656 1.00 0.00 O ATOM 558 CB GLU A 35 -2.100 -5.578 -11.286 1.00 0.00 C ATOM 559 CG GLU A 35 -1.627 -6.426 -12.458 1.00 0.00 C ATOM 560 CD GLU A 35 -2.745 -6.769 -13.416 1.00 0.00 C ATOM 561 OE1 GLU A 35 -3.154 -5.886 -14.202 1.00 0.00 O ATOM 562 OE2 GLU A 35 -3.215 -7.930 -13.438 1.00 0.00 O ATOM 0 H GLU A 35 -0.712 -6.963 -9.672 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.284 -4.506 -11.078 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.767 -6.176 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.686 -4.743 -11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.844 -5.891 -12.996 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.183 -7.347 -12.080 1.00 0.00 H new ATOM 569 N LEU A 36 -1.840 -4.527 -8.205 1.00 0.00 N ATOM 570 CA LEU A 36 -2.336 -3.651 -7.151 1.00 0.00 C ATOM 571 C LEU A 36 -1.227 -2.688 -6.713 1.00 0.00 C ATOM 572 O LEU A 36 -1.481 -1.534 -6.389 1.00 0.00 O ATOM 573 CB LEU A 36 -2.952 -4.466 -5.961 1.00 0.00 C ATOM 574 CG LEU A 36 -2.010 -5.291 -5.055 1.00 0.00 C ATOM 575 CD1 LEU A 36 -1.381 -4.439 -3.962 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.723 -6.488 -4.451 1.00 0.00 C ATOM 0 H LEU A 36 -1.787 -5.513 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.156 -3.050 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.490 -3.764 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.691 -5.150 -6.378 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.207 -5.659 -5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.727 -5.059 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.800 -3.636 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.165 -4.011 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.030 -7.044 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.565 -6.145 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.087 -7.135 -5.249 1.00 0.00 H new ATOM 588 N LEU A 37 0.005 -3.174 -6.762 1.00 0.00 N ATOM 589 CA LEU A 37 1.170 -2.392 -6.410 1.00 0.00 C ATOM 590 C LEU A 37 1.432 -1.336 -7.451 1.00 0.00 C ATOM 591 O LEU A 37 1.812 -0.227 -7.124 1.00 0.00 O ATOM 592 CB LEU A 37 2.366 -3.298 -6.258 1.00 0.00 C ATOM 593 CG LEU A 37 2.273 -4.291 -5.118 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.366 -5.304 -5.232 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.362 -3.571 -3.782 1.00 0.00 C ATOM 0 H LEU A 37 0.220 -4.129 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 37 0.986 -1.891 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.508 -3.848 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.254 -2.682 -6.113 1.00 0.00 H new ATOM 0 HG LEU A 37 1.311 -4.801 -5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.291 -6.014 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.272 -5.836 -6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.333 -4.802 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.294 -4.297 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.313 -3.042 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.543 -2.856 -3.699 1.00 0.00 H new ATOM 607 N ASN A 38 1.230 -1.689 -8.702 1.00 0.00 N ATOM 608 CA ASN A 38 1.359 -0.738 -9.804 1.00 0.00 C ATOM 609 C ASN A 38 0.308 0.360 -9.679 1.00 0.00 C ATOM 610 O ASN A 38 0.583 1.534 -9.956 1.00 0.00 O ATOM 611 CB ASN A 38 1.282 -1.440 -11.170 1.00 0.00 C ATOM 612 CG ASN A 38 2.519 -2.282 -11.491 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.216 -2.779 -10.595 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.801 -2.455 -12.753 1.00 0.00 N ATOM 0 H ASN A 38 0.974 -2.633 -8.991 1.00 0.00 H new ATOM 0 HA ASN A 38 2.345 -0.277 -9.742 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.400 -2.080 -11.192 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.150 -0.689 -11.949 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.613 -3.011 -13.023 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.210 -2.034 -13.470 1.00 0.00 H new ATOM 621 N GLU A 39 -0.891 -0.021 -9.231 1.00 0.00 N ATOM 622 CA GLU A 39 -1.950 0.937 -8.932 1.00 0.00 C ATOM 623 C GLU A 39 -1.465 1.894 -7.834 1.00 0.00 C ATOM 624 O GLU A 39 -1.486 3.110 -8.008 1.00 0.00 O ATOM 625 CB GLU A 39 -3.226 0.218 -8.457 1.00 0.00 C ATOM 626 CG GLU A 39 -3.870 -0.720 -9.475 1.00 0.00 C ATOM 627 CD GLU A 39 -4.410 -0.004 -10.688 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.561 0.486 -10.641 1.00 0.00 O ATOM 629 OE2 GLU A 39 -3.708 0.076 -11.718 1.00 0.00 O ATOM 0 H GLU A 39 -1.150 -0.994 -9.068 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.186 1.492 -9.840 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.987 -0.355 -7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.960 0.970 -8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.134 -1.458 -9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.681 -1.266 -8.993 1.00 0.00 H new ATOM 636 N ILE A 40 -0.977 1.318 -6.727 1.00 0.00 N ATOM 637 CA ILE A 40 -0.462 2.088 -5.580 1.00 0.00 C ATOM 638 C ILE A 40 0.667 3.034 -6.015 1.00 0.00 C ATOM 639 O ILE A 40 0.673 4.212 -5.659 1.00 0.00 O ATOM 640 CB ILE A 40 0.048 1.145 -4.433 1.00 0.00 C ATOM 641 CG1 ILE A 40 -1.105 0.288 -3.887 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.701 1.942 -3.300 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.695 -0.712 -2.820 1.00 0.00 C ATOM 0 H ILE A 40 -0.927 0.307 -6.599 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.292 2.680 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 40 0.806 0.487 -4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.868 0.948 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.564 -0.251 -4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.042 1.258 -2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.552 2.500 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.026 2.636 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.570 -1.273 -2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.044 -1.400 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.265 -0.182 -1.971 1.00 0.00 H new ATOM 655 N ALA A 41 1.580 2.515 -6.825 1.00 0.00 N ATOM 656 CA ALA A 41 2.717 3.271 -7.338 1.00 0.00 C ATOM 657 C ALA A 41 2.275 4.437 -8.195 1.00 0.00 C ATOM 658 O ALA A 41 2.987 5.394 -8.329 1.00 0.00 O ATOM 659 CB ALA A 41 3.669 2.376 -8.120 1.00 0.00 C ATOM 0 H ALA A 41 1.553 1.548 -7.148 1.00 0.00 H new ATOM 0 HA ALA A 41 3.247 3.669 -6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.506 2.969 -8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.043 1.586 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.140 1.931 -8.963 1.00 0.00 H new ATOM 665 N SER A 42 1.157 4.294 -8.853 1.00 0.00 N ATOM 666 CA SER A 42 0.603 5.369 -9.644 1.00 0.00 C ATOM 667 C SER A 42 -0.034 6.463 -8.777 1.00 0.00 C ATOM 668 O SER A 42 0.137 7.653 -9.057 1.00 0.00 O ATOM 669 CB SER A 42 -0.335 4.825 -10.699 1.00 0.00 C ATOM 670 OG SER A 42 0.318 3.809 -11.462 1.00 0.00 O ATOM 0 H SER A 42 0.604 3.437 -8.859 1.00 0.00 H new ATOM 0 HA SER A 42 1.424 5.861 -10.167 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.229 4.417 -10.226 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.661 5.631 -11.356 1.00 0.00 H new ATOM 0 HG SER A 42 0.297 2.964 -10.967 1.00 0.00 H new ATOM 676 N LEU A 43 -0.778 6.070 -7.743 1.00 0.00 N ATOM 677 CA LEU A 43 -1.370 7.059 -6.830 1.00 0.00 C ATOM 678 C LEU A 43 -0.271 7.789 -6.078 1.00 0.00 C ATOM 679 O LEU A 43 -0.372 8.986 -5.796 1.00 0.00 O ATOM 680 CB LEU A 43 -2.403 6.438 -5.854 1.00 0.00 C ATOM 681 CG LEU A 43 -3.833 6.159 -6.392 1.00 0.00 C ATOM 682 CD1 LEU A 43 -4.485 7.434 -6.902 1.00 0.00 C ATOM 683 CD2 LEU A 43 -3.850 5.086 -7.471 1.00 0.00 C ATOM 0 H LEU A 43 -0.984 5.097 -7.516 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.925 7.774 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.994 5.496 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.493 7.102 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.413 5.781 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.485 7.208 -7.272 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.554 8.158 -6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.884 7.852 -7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.873 4.930 -7.813 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.232 5.404 -8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.457 4.154 -7.064 1.00 0.00 H new ATOM 695 N LEU A 44 0.775 7.063 -5.775 1.00 0.00 N ATOM 696 CA LEU A 44 1.953 7.619 -5.181 1.00 0.00 C ATOM 697 C LEU A 44 2.779 8.317 -6.229 1.00 0.00 C ATOM 698 O LEU A 44 3.101 7.748 -7.249 1.00 0.00 O ATOM 699 CB LEU A 44 2.809 6.515 -4.559 1.00 0.00 C ATOM 700 CG LEU A 44 2.567 6.157 -3.105 1.00 0.00 C ATOM 701 CD1 LEU A 44 3.290 4.862 -2.772 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.108 7.271 -2.222 1.00 0.00 C ATOM 0 H LEU A 44 0.828 6.057 -5.938 1.00 0.00 H new ATOM 0 HA LEU A 44 1.641 8.326 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.670 5.611 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.854 6.806 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 44 1.498 6.031 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.115 4.606 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.915 4.061 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.359 4.989 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.938 7.021 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.177 7.388 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.597 8.204 -2.460 1.00 0.00 H new ATOM 714 N GLY A 45 3.076 9.544 -6.015 1.00 0.00 N ATOM 715 CA GLY A 45 4.048 10.212 -6.875 1.00 0.00 C ATOM 716 C GLY A 45 5.469 9.740 -6.557 1.00 0.00 C ATOM 717 O GLY A 45 6.287 10.506 -6.052 1.00 0.00 O ATOM 0 H GLY A 45 2.682 10.120 -5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.817 10.007 -7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.979 11.291 -6.739 1.00 0.00 H new ATOM 721 N VAL A 46 5.742 8.473 -6.816 1.00 0.00 N ATOM 722 CA VAL A 46 7.026 7.863 -6.503 1.00 0.00 C ATOM 723 C VAL A 46 7.510 7.035 -7.674 1.00 0.00 C ATOM 724 O VAL A 46 6.883 7.008 -8.741 1.00 0.00 O ATOM 725 CB VAL A 46 6.933 6.915 -5.253 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.435 7.649 -4.029 1.00 0.00 C ATOM 727 CG2 VAL A 46 6.064 5.682 -5.537 1.00 0.00 C ATOM 0 H VAL A 46 5.077 7.834 -7.251 1.00 0.00 H new ATOM 0 HA VAL A 46 7.718 8.677 -6.288 1.00 0.00 H new ATOM 0 HB VAL A 46 7.946 6.569 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.385 6.959 -3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.118 8.464 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.442 8.054 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.025 5.052 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.055 6.001 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.494 5.117 -6.364 1.00 0.00 H new ATOM 737 N LYS A 47 8.604 6.369 -7.469 1.00 0.00 N ATOM 738 CA LYS A 47 9.132 5.446 -8.421 1.00 0.00 C ATOM 739 C LYS A 47 8.864 4.055 -7.907 1.00 0.00 C ATOM 740 O LYS A 47 8.622 3.867 -6.710 1.00 0.00 O ATOM 741 CB LYS A 47 10.613 5.638 -8.573 1.00 0.00 C ATOM 742 CG LYS A 47 11.042 6.974 -9.138 1.00 0.00 C ATOM 743 CD LYS A 47 12.541 7.107 -9.026 1.00 0.00 C ATOM 744 CE LYS A 47 12.963 7.383 -7.603 1.00 0.00 C ATOM 745 NZ LYS A 47 14.411 7.275 -7.420 1.00 0.00 N ATOM 0 H LYS A 47 9.163 6.454 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 47 8.662 5.605 -9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.081 5.509 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.000 4.849 -9.218 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.735 7.056 -10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.552 7.784 -8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.017 6.191 -9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.886 7.914 -9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.637 8.383 -7.318 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.462 6.682 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.612 6.706 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.833 6.818 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.818 8.225 -7.303 1.00 0.00 H new ATOM 759 N LYS A 48 8.935 3.096 -8.776 1.00 0.00 N ATOM 760 CA LYS A 48 8.624 1.736 -8.426 1.00 0.00 C ATOM 761 C LYS A 48 9.685 1.113 -7.516 1.00 0.00 C ATOM 762 O LYS A 48 9.355 0.359 -6.636 1.00 0.00 O ATOM 763 CB LYS A 48 8.488 0.877 -9.680 1.00 0.00 C ATOM 764 CG LYS A 48 8.157 -0.573 -9.374 1.00 0.00 C ATOM 765 CD LYS A 48 6.672 -0.784 -9.050 1.00 0.00 C ATOM 766 CE LYS A 48 5.841 -0.805 -10.320 1.00 0.00 C ATOM 767 NZ LYS A 48 6.230 -1.934 -11.213 1.00 0.00 N ATOM 0 H LYS A 48 9.210 3.229 -9.749 1.00 0.00 H new ATOM 0 HA LYS A 48 7.679 1.764 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.709 1.295 -10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.419 0.920 -10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.430 -1.192 -10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.760 -0.909 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.543 -1.722 -8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.322 0.013 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.785 -0.891 -10.063 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.964 0.139 -10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.379 -2.458 -11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.708 -1.560 -12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.875 -2.573 -10.705 1.00 0.00 H new ATOM 781 N GLU A 49 10.939 1.465 -7.728 1.00 0.00 N ATOM 782 CA GLU A 49 12.065 0.791 -7.068 1.00 0.00 C ATOM 783 C GLU A 49 12.009 0.918 -5.542 1.00 0.00 C ATOM 784 O GLU A 49 12.092 -0.086 -4.818 1.00 0.00 O ATOM 785 CB GLU A 49 13.396 1.318 -7.595 1.00 0.00 C ATOM 786 CG GLU A 49 13.454 1.471 -9.111 1.00 0.00 C ATOM 787 CD GLU A 49 12.987 0.252 -9.871 1.00 0.00 C ATOM 788 OE1 GLU A 49 13.752 -0.722 -9.992 1.00 0.00 O ATOM 789 OE2 GLU A 49 11.840 0.251 -10.385 1.00 0.00 O ATOM 0 H GLU A 49 11.215 2.220 -8.356 1.00 0.00 H new ATOM 0 HA GLU A 49 11.982 -0.269 -7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.598 2.286 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.191 0.643 -7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.842 2.325 -9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.479 1.698 -9.404 1.00 0.00 H new ATOM 796 N GLU A 50 11.869 2.138 -5.064 1.00 0.00 N ATOM 797 CA GLU A 50 11.744 2.426 -3.627 1.00 0.00 C ATOM 798 C GLU A 50 10.566 1.673 -3.035 1.00 0.00 C ATOM 799 O GLU A 50 10.695 0.947 -2.025 1.00 0.00 O ATOM 800 CB GLU A 50 11.620 3.951 -3.330 1.00 0.00 C ATOM 801 CG GLU A 50 11.359 4.880 -4.537 1.00 0.00 C ATOM 802 CD GLU A 50 12.538 4.987 -5.446 1.00 0.00 C ATOM 803 OE1 GLU A 50 13.483 5.728 -5.140 1.00 0.00 O ATOM 804 OE2 GLU A 50 12.532 4.328 -6.490 1.00 0.00 O ATOM 0 H GLU A 50 11.837 2.969 -5.654 1.00 0.00 H new ATOM 0 HA GLU A 50 12.664 2.084 -3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.812 4.092 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.539 4.278 -2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.504 4.506 -5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.093 5.873 -4.175 1.00 0.00 H new ATOM 811 N LEU A 51 9.443 1.763 -3.719 1.00 0.00 N ATOM 812 CA LEU A 51 8.240 1.091 -3.299 1.00 0.00 C ATOM 813 C LEU A 51 8.403 -0.427 -3.456 1.00 0.00 C ATOM 814 O LEU A 51 7.676 -1.176 -2.878 1.00 0.00 O ATOM 815 CB LEU A 51 7.029 1.590 -4.102 1.00 0.00 C ATOM 816 CG LEU A 51 5.657 1.035 -3.679 1.00 0.00 C ATOM 817 CD1 LEU A 51 5.289 1.485 -2.271 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.586 1.440 -4.667 1.00 0.00 C ATOM 0 H LEU A 51 9.344 2.303 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 51 8.064 1.318 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.995 2.677 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.189 1.344 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 51 5.726 -0.053 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.315 1.077 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.040 1.127 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.248 2.574 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.625 1.037 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.526 2.527 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.834 1.048 -5.653 1.00 0.00 H new ATOM 830 N GLY A 52 9.392 -0.840 -4.236 1.00 0.00 N ATOM 831 CA GLY A 52 9.684 -2.234 -4.483 1.00 0.00 C ATOM 832 C GLY A 52 10.268 -2.904 -3.277 1.00 0.00 C ATOM 833 O GLY A 52 9.896 -4.051 -2.914 1.00 0.00 O ATOM 0 H GLY A 52 10.021 -0.200 -4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.770 -2.750 -4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.380 -2.317 -5.317 1.00 0.00 H new ATOM 837 N ASP A 53 11.157 -2.222 -2.603 1.00 0.00 N ATOM 838 CA ASP A 53 11.694 -2.796 -1.374 1.00 0.00 C ATOM 839 C ASP A 53 10.608 -2.743 -0.326 1.00 0.00 C ATOM 840 O ASP A 53 10.472 -3.628 0.526 1.00 0.00 O ATOM 841 CB ASP A 53 12.946 -2.084 -0.902 1.00 0.00 C ATOM 842 CG ASP A 53 13.696 -2.885 0.130 1.00 0.00 C ATOM 843 OD1 ASP A 53 14.331 -3.895 -0.260 1.00 0.00 O ATOM 844 OD2 ASP A 53 13.692 -2.541 1.310 1.00 0.00 O ATOM 0 H ASP A 53 11.520 -1.304 -2.861 1.00 0.00 H new ATOM 0 HA ASP A 53 11.994 -3.827 -1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.597 -1.892 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.676 -1.115 -0.482 1.00 0.00 H new ATOM 849 N ARG A 54 9.762 -1.736 -0.459 1.00 0.00 N ATOM 850 CA ARG A 54 8.616 -1.614 0.395 1.00 0.00 C ATOM 851 C ARG A 54 7.560 -2.697 0.022 1.00 0.00 C ATOM 852 O ARG A 54 6.655 -2.940 0.768 1.00 0.00 O ATOM 853 CB ARG A 54 8.038 -0.198 0.342 1.00 0.00 C ATOM 854 CG ARG A 54 7.302 0.209 1.614 1.00 0.00 C ATOM 855 CD ARG A 54 6.841 1.648 1.539 1.00 0.00 C ATOM 856 NE ARG A 54 6.389 2.164 2.838 1.00 0.00 N ATOM 857 CZ ARG A 54 5.649 3.254 3.021 1.00 0.00 C ATOM 858 NH1 ARG A 54 5.336 4.044 2.004 1.00 0.00 N ATOM 859 NH2 ARG A 54 5.329 3.604 4.245 1.00 0.00 N ATOM 0 H ARG A 54 9.856 -0.995 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 54 8.921 -1.786 1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.847 0.509 0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.353 -0.125 -0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.443 -0.444 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.958 0.078 2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.657 2.269 1.170 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.028 1.728 0.817 1.00 0.00 H new ATOM 0 HE ARG A 54 6.666 1.642 3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.663 3.820 1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.768 4.876 2.161 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.647 3.043 5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.762 4.437 4.406 1.00 0.00 H new ATOM 873 N ILE A 55 7.705 -3.318 -1.173 1.00 0.00 N ATOM 874 CA ILE A 55 6.875 -4.457 -1.609 1.00 0.00 C ATOM 875 C ILE A 55 7.247 -5.660 -0.770 1.00 0.00 C ATOM 876 O ILE A 55 6.382 -6.420 -0.352 1.00 0.00 O ATOM 877 CB ILE A 55 7.045 -4.804 -3.150 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.465 -3.694 -4.040 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.425 -6.162 -3.516 1.00 0.00 C ATOM 880 CD1 ILE A 55 6.662 -3.919 -5.541 1.00 0.00 C ATOM 0 H ILE A 55 8.404 -3.039 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 55 5.829 -4.181 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 55 8.117 -4.873 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.398 -3.602 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.926 -2.746 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.568 -6.352 -4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.908 -6.950 -2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.359 -6.148 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.223 -3.089 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.727 -3.980 -5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.176 -4.849 -5.836 1.00 0.00 H new ATOM 892 N ALA A 56 8.545 -5.814 -0.506 1.00 0.00 N ATOM 893 CA ALA A 56 9.012 -6.885 0.400 1.00 0.00 C ATOM 894 C ALA A 56 8.370 -6.695 1.786 1.00 0.00 C ATOM 895 O ALA A 56 7.799 -7.631 2.389 1.00 0.00 O ATOM 896 CB ALA A 56 10.528 -6.867 0.508 1.00 0.00 C ATOM 0 H ALA A 56 9.285 -5.228 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 56 8.714 -7.853 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.854 -7.662 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.965 -7.022 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.853 -5.904 0.901 1.00 0.00 H new ATOM 902 N GLN A 57 8.410 -5.453 2.239 1.00 0.00 N ATOM 903 CA GLN A 57 7.803 -5.040 3.499 1.00 0.00 C ATOM 904 C GLN A 57 6.289 -5.303 3.430 1.00 0.00 C ATOM 905 O GLN A 57 5.697 -5.807 4.364 1.00 0.00 O ATOM 906 CB GLN A 57 8.104 -3.544 3.689 1.00 0.00 C ATOM 907 CG GLN A 57 7.855 -2.918 5.070 1.00 0.00 C ATOM 908 CD GLN A 57 6.402 -2.812 5.508 1.00 0.00 C ATOM 909 OE1 GLN A 57 5.964 -3.708 6.346 1.00 0.00 O flip ATOM 910 NE2 GLN A 57 5.721 -1.852 5.173 1.00 0.00 N flip ATOM 0 H GLN A 57 8.870 -4.692 1.738 1.00 0.00 H new ATOM 0 HA GLN A 57 8.204 -5.599 4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.151 -3.381 3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.510 -2.991 2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.395 -3.504 5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.288 -1.918 5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.093 -1.168 4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.781 -1.736 5.552 1.00 0.00 H new ATOM 919 N PHE A 58 5.699 -4.989 2.295 1.00 0.00 N ATOM 920 CA PHE A 58 4.284 -5.181 2.054 1.00 0.00 C ATOM 921 C PHE A 58 3.907 -6.655 2.097 1.00 0.00 C ATOM 922 O PHE A 58 2.819 -6.984 2.514 1.00 0.00 O ATOM 923 CB PHE A 58 3.850 -4.507 0.743 1.00 0.00 C ATOM 924 CG PHE A 58 2.394 -4.655 0.406 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.424 -4.098 1.216 1.00 0.00 C ATOM 926 CD2 PHE A 58 2.000 -5.342 -0.721 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.088 -4.221 0.909 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.665 -5.468 -1.038 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.293 -4.905 -0.223 1.00 0.00 C ATOM 0 H PHE A 58 6.198 -4.587 1.501 1.00 0.00 H new ATOM 0 HA PHE A 58 3.736 -4.694 2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.088 -3.445 0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.441 -4.921 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.718 -3.558 2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.746 -5.787 -1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.659 -3.782 1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.369 -6.008 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.340 -5.000 -0.472 1.00 0.00 H new ATOM 939 N TYR A 59 4.811 -7.543 1.667 1.00 0.00 N ATOM 940 CA TYR A 59 4.585 -8.975 1.841 1.00 0.00 C ATOM 941 C TYR A 59 4.367 -9.270 3.307 1.00 0.00 C ATOM 942 O TYR A 59 3.399 -9.940 3.672 1.00 0.00 O ATOM 943 CB TYR A 59 5.741 -9.837 1.311 1.00 0.00 C ATOM 944 CG TYR A 59 5.681 -10.186 -0.160 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.777 -11.136 -0.619 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.547 -9.617 -1.077 1.00 0.00 C ATOM 947 CE1 TYR A 59 4.739 -11.507 -1.945 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.511 -9.974 -2.409 1.00 0.00 C ATOM 949 CZ TYR A 59 5.606 -10.923 -2.837 1.00 0.00 C ATOM 950 OH TYR A 59 5.575 -11.295 -4.167 1.00 0.00 O ATOM 0 H TYR A 59 5.687 -7.299 1.206 1.00 0.00 H new ATOM 0 HA TYR A 59 3.703 -9.235 1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.677 -9.313 1.503 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.771 -10.764 1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.090 -11.593 0.078 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.264 -8.881 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.033 -12.252 -2.281 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.188 -9.513 -3.113 1.00 0.00 H new ATOM 0 HH TYR A 59 6.250 -10.788 -4.664 1.00 0.00 H new ATOM 960 N THR A 60 5.242 -8.727 4.137 1.00 0.00 N ATOM 961 CA THR A 60 5.129 -8.864 5.572 1.00 0.00 C ATOM 962 C THR A 60 3.801 -8.231 6.094 1.00 0.00 C ATOM 963 O THR A 60 2.987 -8.921 6.733 1.00 0.00 O ATOM 964 CB THR A 60 6.349 -8.206 6.265 1.00 0.00 C ATOM 965 OG1 THR A 60 7.562 -8.785 5.740 1.00 0.00 O ATOM 966 CG2 THR A 60 6.302 -8.401 7.778 1.00 0.00 C ATOM 0 H THR A 60 6.048 -8.181 3.832 1.00 0.00 H new ATOM 0 HA THR A 60 5.112 -9.927 5.814 1.00 0.00 H new ATOM 0 HB THR A 60 6.324 -7.135 6.063 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.337 -8.371 6.174 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.172 -7.928 8.233 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.393 -7.949 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.307 -9.466 8.008 1.00 0.00 H new ATOM 974 N ASP A 61 3.576 -6.957 5.753 1.00 0.00 N ATOM 975 CA ASP A 61 2.402 -6.163 6.216 1.00 0.00 C ATOM 976 C ASP A 61 1.072 -6.801 5.814 1.00 0.00 C ATOM 977 O ASP A 61 0.152 -6.932 6.623 1.00 0.00 O ATOM 978 CB ASP A 61 2.472 -4.717 5.668 1.00 0.00 C ATOM 979 CG ASP A 61 1.341 -3.815 6.179 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.151 -3.737 7.421 1.00 0.00 O ATOM 981 OD2 ASP A 61 0.683 -3.133 5.369 1.00 0.00 O ATOM 0 H ASP A 61 4.202 -6.431 5.143 1.00 0.00 H new ATOM 0 HA ASP A 61 2.446 -6.145 7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.430 -4.278 5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.438 -4.747 4.579 1.00 0.00 H new ATOM 986 N LEU A 62 0.998 -7.236 4.591 1.00 0.00 N ATOM 987 CA LEU A 62 -0.211 -7.810 4.039 1.00 0.00 C ATOM 988 C LEU A 62 -0.475 -9.215 4.589 1.00 0.00 C ATOM 989 O LEU A 62 -1.617 -9.605 4.790 1.00 0.00 O ATOM 990 CB LEU A 62 -0.103 -7.840 2.513 1.00 0.00 C ATOM 991 CG LEU A 62 -1.310 -8.340 1.737 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.514 -7.460 1.998 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.990 -8.369 0.262 1.00 0.00 C ATOM 0 H LEU A 62 1.779 -7.206 3.935 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.056 -7.188 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.122 -6.830 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.750 -8.464 2.248 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.549 -9.350 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.368 -7.835 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.749 -7.472 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.293 -6.439 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.858 -8.728 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.735 -7.364 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.146 -9.036 0.086 1.00 0.00 H new ATOM 1005 N ASN A 63 0.577 -9.962 4.866 1.00 0.00 N ATOM 1006 CA ASN A 63 0.395 -11.339 5.323 1.00 0.00 C ATOM 1007 C ASN A 63 0.066 -11.386 6.818 1.00 0.00 C ATOM 1008 O ASN A 63 -0.437 -12.387 7.326 1.00 0.00 O ATOM 1009 CB ASN A 63 1.615 -12.205 4.985 1.00 0.00 C ATOM 1010 CG ASN A 63 1.365 -13.701 5.145 1.00 0.00 C ATOM 1011 OD1 ASN A 63 1.592 -14.282 6.207 1.00 0.00 O ATOM 1012 ND2 ASN A 63 0.910 -14.337 4.085 1.00 0.00 N ATOM 0 H ASN A 63 1.546 -9.655 4.788 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.457 -11.758 4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.920 -12.004 3.958 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.446 -11.913 5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.735 -15.341 4.129 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.732 -13.826 3.221 1.00 0.00 H new ATOM 1019 N ILE A 64 0.330 -10.288 7.527 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.026 -10.197 8.947 1.00 0.00 C ATOM 1021 C ILE A 64 -1.384 -9.515 9.109 1.00 0.00 C ATOM 1022 O ILE A 64 -1.840 -9.241 10.222 1.00 0.00 O ATOM 1023 CB ILE A 64 1.040 -9.468 9.820 1.00 0.00 C ATOM 1024 CG1 ILE A 64 1.259 -8.018 9.351 1.00 0.00 C ATOM 1025 CG2 ILE A 64 2.343 -10.248 9.824 1.00 0.00 C ATOM 1026 CD1 ILE A 64 2.239 -7.221 10.197 1.00 0.00 C ATOM 0 H ILE A 64 0.784 -9.457 7.148 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.072 -11.223 9.311 1.00 0.00 H new ATOM 0 HB ILE A 64 0.665 -9.421 10.842 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.617 -8.033 8.321 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.299 -7.502 9.348 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.077 -9.726 10.438 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.170 -11.244 10.233 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.718 -10.335 8.804 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.331 -6.213 9.794 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.876 -7.170 11.223 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.214 -7.709 10.181 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.025 -9.255 8.003 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.335 -8.639 7.997 1.00 0.00 C ATOM 1040 C ASP A 65 -4.403 -9.730 7.993 1.00 0.00 C ATOM 1041 O ASP A 65 -4.125 -10.869 7.590 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.484 -7.719 6.776 1.00 0.00 C ATOM 1043 CG ASP A 65 -4.843 -7.066 6.691 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -5.063 -6.014 7.353 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -5.710 -7.596 6.002 1.00 0.00 O ATOM 0 H ASP A 65 -1.657 -9.463 7.074 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.457 -8.029 8.892 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.717 -6.945 6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.307 -8.297 5.869 1.00 0.00 H new ATOM 1050 N GLY A 66 -5.581 -9.417 8.495 1.00 0.00 N ATOM 1051 CA GLY A 66 -6.660 -10.369 8.504 1.00 0.00 C ATOM 1052 C GLY A 66 -7.942 -9.757 7.975 1.00 0.00 C ATOM 1053 O GLY A 66 -9.034 -10.215 8.293 1.00 0.00 O ATOM 0 H GLY A 66 -5.810 -8.510 8.901 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.390 -11.233 7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.820 -10.731 9.520 1.00 0.00 H new ATOM 1057 N ARG A 67 -7.801 -8.738 7.174 1.00 0.00 N ATOM 1058 CA ARG A 67 -8.914 -8.008 6.593 1.00 0.00 C ATOM 1059 C ARG A 67 -8.965 -8.348 5.101 1.00 0.00 C ATOM 1060 O ARG A 67 -10.037 -8.411 4.476 1.00 0.00 O ATOM 1061 CB ARG A 67 -8.628 -6.526 6.798 1.00 0.00 C ATOM 1062 CG ARG A 67 -9.718 -5.541 6.434 1.00 0.00 C ATOM 1063 CD ARG A 67 -9.179 -4.150 6.691 1.00 0.00 C ATOM 1064 NE ARG A 67 -10.146 -3.065 6.531 1.00 0.00 N ATOM 1065 CZ ARG A 67 -9.830 -1.772 6.752 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -8.552 -1.432 7.007 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -10.772 -0.829 6.704 1.00 0.00 N ATOM 0 H ARG A 67 -6.889 -8.376 6.895 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.870 -8.266 7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.377 -6.375 7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.740 -6.273 6.219 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.003 -5.654 5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.613 -5.722 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.782 -4.114 7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.343 -3.972 6.015 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.097 -3.295 6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.828 -2.150 7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.308 -0.456 7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.738 -1.083 6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.526 0.147 6.872 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.791 -8.561 4.553 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.611 -8.959 3.188 1.00 0.00 C ATOM 1083 C PHE A 68 -7.936 -10.428 2.960 1.00 0.00 C ATOM 1084 O PHE A 68 -8.183 -11.198 3.900 1.00 0.00 O ATOM 1085 CB PHE A 68 -6.188 -8.675 2.743 1.00 0.00 C ATOM 1086 CG PHE A 68 -6.053 -7.479 1.866 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -6.061 -6.201 2.384 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.909 -7.645 0.510 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.928 -5.112 1.549 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.774 -6.572 -0.324 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.783 -5.303 0.188 1.00 0.00 C ATOM 0 H PHE A 68 -6.914 -8.458 5.064 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.311 -8.373 2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.563 -8.538 3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.804 -9.546 2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.172 -6.053 3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.902 -8.642 0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.937 -4.112 1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.660 -6.725 -1.387 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.677 -4.453 -0.470 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.925 -10.798 1.707 1.00 0.00 N ATOM 1102 CA LEU A 69 -8.215 -12.130 1.270 1.00 0.00 C ATOM 1103 C LEU A 69 -7.364 -12.475 0.066 1.00 0.00 C ATOM 1104 O LEU A 69 -7.316 -11.707 -0.901 1.00 0.00 O ATOM 1105 CB LEU A 69 -9.699 -12.217 0.884 1.00 0.00 C ATOM 1106 CG LEU A 69 -10.153 -13.449 0.110 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -9.966 -14.722 0.912 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -11.583 -13.286 -0.289 1.00 0.00 C ATOM 0 H LEU A 69 -7.707 -10.159 0.943 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.996 -12.832 2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.289 -12.158 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.944 -11.337 0.290 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.532 -13.539 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.302 -15.576 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.912 -14.844 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.550 -14.662 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.909 -14.167 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.199 -13.170 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.687 -12.402 -0.919 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.668 -13.590 0.138 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.968 -14.102 -1.006 1.00 0.00 C ATOM 1122 C ALA A 70 -6.893 -15.039 -1.704 1.00 0.00 C ATOM 1123 O ALA A 70 -7.206 -16.119 -1.198 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.681 -14.830 -0.646 1.00 0.00 C ATOM 0 H ALA A 70 -6.576 -14.156 0.982 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.675 -13.263 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.201 -15.192 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.009 -14.146 -0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.910 -15.674 0.004 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.380 -14.603 -2.803 1.00 0.00 N ATOM 1131 CA LEU A 71 -8.255 -15.363 -3.630 1.00 0.00 C ATOM 1132 C LEU A 71 -7.479 -16.463 -4.367 1.00 0.00 C ATOM 1133 O LEU A 71 -6.270 -16.632 -4.148 1.00 0.00 O ATOM 1134 CB LEU A 71 -8.951 -14.400 -4.583 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.849 -13.384 -3.883 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -9.938 -12.123 -4.673 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -11.226 -13.947 -3.725 1.00 0.00 C ATOM 0 H LEU A 71 -7.177 -13.674 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.010 -15.874 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.197 -13.867 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.549 -14.973 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.416 -13.167 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.583 -11.414 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.943 -11.693 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.353 -12.339 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.862 -13.217 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.640 -14.177 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.180 -14.858 -3.128 1.00 0.00 H new ATOM 1149 N SER A 72 -8.170 -17.132 -5.266 1.00 0.00 N ATOM 1150 CA SER A 72 -7.737 -18.333 -5.979 1.00 0.00 C ATOM 1151 C SER A 72 -6.239 -18.380 -6.396 1.00 0.00 C ATOM 1152 O SER A 72 -5.585 -19.412 -6.228 1.00 0.00 O ATOM 1153 CB SER A 72 -8.638 -18.474 -7.187 1.00 0.00 C ATOM 1154 OG SER A 72 -10.001 -18.245 -6.798 1.00 0.00 O ATOM 0 H SER A 72 -9.108 -16.840 -5.541 1.00 0.00 H new ATOM 0 HA SER A 72 -7.823 -19.170 -5.286 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.344 -17.762 -7.958 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.534 -19.470 -7.617 1.00 0.00 H new ATOM 0 HG SER A 72 -10.584 -18.335 -7.581 1.00 0.00 H new ATOM 1160 N ASP A 73 -5.691 -17.291 -6.895 1.00 0.00 N ATOM 1161 CA ASP A 73 -4.305 -17.320 -7.396 1.00 0.00 C ATOM 1162 C ASP A 73 -3.431 -16.297 -6.669 1.00 0.00 C ATOM 1163 O ASP A 73 -2.615 -15.622 -7.279 1.00 0.00 O ATOM 1164 CB ASP A 73 -4.320 -17.083 -8.919 1.00 0.00 C ATOM 1165 CG ASP A 73 -3.010 -17.393 -9.632 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -2.757 -18.574 -9.935 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -2.242 -16.454 -9.952 1.00 0.00 O ATOM 0 H ASP A 73 -6.159 -16.388 -6.970 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.866 -18.297 -7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.109 -17.693 -9.359 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.581 -16.041 -9.107 1.00 0.00 H new ATOM 1172 N GLN A 74 -3.621 -16.168 -5.342 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.874 -15.163 -4.520 1.00 0.00 C ATOM 1174 C GLN A 74 -3.248 -13.779 -4.951 1.00 0.00 C ATOM 1175 O GLN A 74 -2.575 -12.808 -4.675 1.00 0.00 O ATOM 1176 CB GLN A 74 -1.331 -15.367 -4.546 1.00 0.00 C ATOM 1177 CG GLN A 74 -0.788 -16.227 -3.401 1.00 0.00 C ATOM 1178 CD GLN A 74 -1.424 -17.596 -3.305 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -1.726 -18.192 -4.423 1.00 0.00 O flip ATOM 1180 NE2 GLN A 74 -1.569 -18.142 -2.211 1.00 0.00 N flip ATOM 0 H GLN A 74 -4.278 -16.737 -4.808 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.169 -15.312 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.053 -15.828 -5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.847 -14.391 -4.512 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.288 -16.346 -3.528 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.942 -15.699 -2.460 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.322 -17.644 -1.356 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.936 -19.092 -2.160 1.00 0.00 H new ATOM 1189 N THR A 75 -4.355 -13.735 -5.608 1.00 0.00 N ATOM 1190 CA THR A 75 -4.944 -12.543 -6.082 1.00 0.00 C ATOM 1191 C THR A 75 -5.622 -11.926 -4.888 1.00 0.00 C ATOM 1192 O THR A 75 -6.410 -12.585 -4.235 1.00 0.00 O ATOM 1193 CB THR A 75 -5.975 -12.935 -7.139 1.00 0.00 C ATOM 1194 OG1 THR A 75 -5.356 -13.896 -8.019 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.421 -11.735 -7.950 1.00 0.00 C ATOM 0 H THR A 75 -4.894 -14.570 -5.837 1.00 0.00 H new ATOM 0 HA THR A 75 -4.231 -11.847 -6.522 1.00 0.00 H new ATOM 0 HB THR A 75 -6.854 -13.350 -6.647 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.997 -14.168 -8.709 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.154 -12.050 -8.692 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.870 -10.995 -7.288 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.560 -11.296 -8.454 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.324 -10.722 -4.576 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.835 -10.194 -3.369 1.00 0.00 C ATOM 1205 C TRP A 76 -7.093 -9.429 -3.597 1.00 0.00 C ATOM 1206 O TRP A 76 -7.444 -9.069 -4.738 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.787 -9.360 -2.626 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.594 -10.154 -2.162 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.452 -10.389 -2.860 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.423 -10.806 -0.888 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.588 -11.155 -2.115 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -2.155 -11.420 -0.900 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -4.215 -10.931 0.257 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.663 -12.145 0.190 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.727 -11.649 1.333 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -2.462 -12.244 1.294 1.00 0.00 C ATOM 0 H TRP A 76 -4.740 -10.093 -5.127 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.083 -11.038 -2.725 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.445 -8.557 -3.280 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.257 -8.890 -1.762 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.252 -10.026 -3.857 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.669 -11.475 -2.420 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.193 -10.474 0.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.688 -12.609 0.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.334 -11.752 2.220 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.109 -12.793 2.154 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.793 -9.252 -2.538 1.00 0.00 N ATOM 1228 CA GLY A 77 -8.991 -8.540 -2.545 1.00 0.00 C ATOM 1229 C GLY A 77 -9.519 -8.467 -1.163 1.00 0.00 C ATOM 1230 O GLY A 77 -8.763 -8.603 -0.197 1.00 0.00 O ATOM 0 H GLY A 77 -7.530 -9.614 -1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.830 -7.537 -2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.714 -9.027 -3.199 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.788 -8.334 -1.050 1.00 0.00 N ATOM 1235 CA LEU A 78 -11.407 -8.165 0.226 1.00 0.00 C ATOM 1236 C LEU A 78 -12.368 -9.281 0.472 1.00 0.00 C ATOM 1237 O LEU A 78 -13.158 -9.646 -0.404 1.00 0.00 O ATOM 1238 CB LEU A 78 -12.125 -6.815 0.311 1.00 0.00 C ATOM 1239 CG LEU A 78 -11.253 -5.568 0.134 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -12.102 -4.315 0.200 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -10.147 -5.522 1.184 1.00 0.00 C ATOM 0 H LEU A 78 -11.436 -8.338 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.633 -8.183 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.907 -6.796 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.620 -6.751 1.280 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.784 -5.618 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.467 -3.438 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.850 -4.340 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.601 -4.264 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.542 -4.627 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.591 -5.500 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.517 -6.406 1.087 1.00 0.00 H new ATOM 1253 N ARG A 79 -12.310 -9.819 1.658 1.00 0.00 N ATOM 1254 CA ARG A 79 -13.175 -10.919 2.051 1.00 0.00 C ATOM 1255 C ARG A 79 -14.588 -10.428 2.304 1.00 0.00 C ATOM 1256 O ARG A 79 -15.524 -11.201 2.330 1.00 0.00 O ATOM 1257 CB ARG A 79 -12.619 -11.614 3.292 1.00 0.00 C ATOM 1258 CG ARG A 79 -12.451 -10.700 4.487 1.00 0.00 C ATOM 1259 CD ARG A 79 -11.840 -11.441 5.635 1.00 0.00 C ATOM 1260 NE ARG A 79 -11.838 -10.641 6.861 1.00 0.00 N ATOM 1261 CZ ARG A 79 -12.019 -11.126 8.103 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -12.298 -12.403 8.285 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -11.952 -10.317 9.151 1.00 0.00 N ATOM 0 H ARG A 79 -11.665 -9.514 2.387 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.207 -11.640 1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.284 -12.434 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.653 -12.055 3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.821 -9.852 4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.420 -10.296 4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.392 -12.365 5.805 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.817 -11.722 5.383 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.688 -9.637 6.766 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.377 -13.027 7.482 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.434 -12.766 9.228 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.763 -9.324 9.017 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.090 -10.688 10.091 1.00 0.00 H new ATOM 1277 N SER A 80 -14.726 -9.137 2.432 1.00 0.00 N ATOM 1278 CA SER A 80 -15.969 -8.499 2.721 1.00 0.00 C ATOM 1279 C SER A 80 -16.891 -8.380 1.485 1.00 0.00 C ATOM 1280 O SER A 80 -18.029 -7.932 1.599 1.00 0.00 O ATOM 1281 CB SER A 80 -15.643 -7.150 3.327 1.00 0.00 C ATOM 1282 OG SER A 80 -14.519 -6.588 2.652 1.00 0.00 O ATOM 0 H SER A 80 -13.948 -8.484 2.334 1.00 0.00 H new ATOM 0 HA SER A 80 -16.541 -9.106 3.423 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.502 -6.484 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.426 -7.259 4.390 1.00 0.00 H new ATOM 0 HG SER A 80 -14.307 -5.714 3.041 1.00 0.00 H new ATOM 1288 N TRP A 81 -16.412 -8.796 0.317 1.00 0.00 N ATOM 1289 CA TRP A 81 -17.242 -8.743 -0.890 1.00 0.00 C ATOM 1290 C TRP A 81 -18.173 -9.939 -0.977 1.00 0.00 C ATOM 1291 O TRP A 81 -19.286 -9.833 -1.492 1.00 0.00 O ATOM 1292 CB TRP A 81 -16.412 -8.749 -2.171 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.505 -7.595 -2.394 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -15.732 -6.283 -2.097 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.242 -7.652 -3.050 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.662 -5.528 -2.506 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.738 -6.352 -3.096 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.478 -8.693 -3.594 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.516 -6.058 -3.668 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.267 -8.397 -4.161 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.797 -7.090 -4.194 1.00 0.00 C ATOM 0 H TRP A 81 -15.472 -9.167 0.177 1.00 0.00 H new ATOM 0 HA TRP A 81 -17.801 -7.811 -0.808 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.811 -9.658 -2.181 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -17.096 -8.810 -3.017 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.618 -5.898 -1.614 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.569 -4.519 -2.390 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.838 -9.711 -3.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.143 -5.045 -3.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.670 -9.189 -4.588 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -10.838 -6.886 -4.648 1.00 0.00 H new ATOM 1312 N TYR A 82 -17.718 -11.068 -0.478 1.00 0.00 N ATOM 1313 CA TYR A 82 -18.427 -12.314 -0.664 1.00 0.00 C ATOM 1314 C TYR A 82 -18.516 -13.025 0.684 1.00 0.00 C ATOM 1315 O TYR A 82 -17.814 -12.634 1.619 1.00 0.00 O ATOM 1316 CB TYR A 82 -17.621 -13.222 -1.620 1.00 0.00 C ATOM 1317 CG TYR A 82 -16.955 -12.544 -2.816 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -17.675 -12.137 -3.931 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -15.579 -12.360 -2.828 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -17.036 -11.569 -5.020 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -14.935 -11.793 -3.895 1.00 0.00 C ATOM 1322 CZ TYR A 82 -15.668 -11.399 -4.999 1.00 0.00 C ATOM 1323 OH TYR A 82 -15.025 -10.842 -6.095 1.00 0.00 O ATOM 0 H TYR A 82 -16.856 -11.148 0.062 1.00 0.00 H new ATOM 0 HA TYR A 82 -19.418 -12.115 -1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -16.847 -13.724 -1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -18.289 -13.996 -1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -18.747 -12.265 -3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -15.000 -12.673 -1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -17.607 -11.260 -5.883 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.864 -11.655 -3.874 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.062 -10.791 -5.918 1.00 0.00 H new TER 1333 TYR A 82