USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=18 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 4 LYS NZ :NH3+ 180:sc= 0.173 (180deg=-0.0222) USER MOD Set 1.2: A 5 GLN : amide:sc= -2.66! C(o=-2.5!,f=-8.8!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 80:sc= 1.06 USER MOD Single : A 8 GLN : amide:sc= 0.504 K(o=0.5,f=-0.23) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.09) USER MOD Single : A 14 MET CE :methyl 157:sc= -0.231 (180deg=-0.927) USER MOD Single : A 21 HIS : +bothHN:sc= -2.26! C(o=-2.3!,f=-15!) USER MOD Single : A 27 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.025) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0.755 (180deg=0.615) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= -0.0432 (180deg=-0.199) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.19 F(o=-3.4!,f=-0.19) USER MOD Single : A 38 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.2!) USER MOD Single : A 42 SER OG : rot 83:sc= 0.86 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0224 (180deg=-0.171) USER MOD Single : A 48 LYS NZ :NH3+ -122:sc= -0.074 (180deg=-0.808) USER MOD Single : A 57 GLN : amide:sc= -0.0345 K(o=-0.035,f=-3.6!) USER MOD Single : A 59 TYR OH : rot 82:sc= 0.0501 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0.00236 USER MOD Single : A 74 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.48) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 82 TYR OH : rot 129:sc= -0.447 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -10.223 6.624 -0.468 1.00 0.00 N ATOM 2 CA GLY A 2 -9.355 7.654 -1.044 1.00 0.00 C ATOM 3 C GLY A 2 -8.533 7.168 -2.245 1.00 0.00 C ATOM 4 O GLY A 2 -9.032 7.129 -3.357 1.00 0.00 O ATOM 0 HA2 GLY A 2 -9.967 8.501 -1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.675 8.017 -0.273 1.00 0.00 H new ATOM 10 N ILE A 3 -7.272 6.794 -1.972 1.00 0.00 N ATOM 11 CA ILE A 3 -6.176 6.352 -2.918 1.00 0.00 C ATOM 12 C ILE A 3 -5.940 7.173 -4.170 1.00 0.00 C ATOM 13 O ILE A 3 -4.848 7.663 -4.374 1.00 0.00 O ATOM 14 CB ILE A 3 -5.990 4.825 -3.180 1.00 0.00 C ATOM 15 CG1 ILE A 3 -7.055 4.160 -4.109 1.00 0.00 C ATOM 16 CG2 ILE A 3 -5.869 4.107 -1.878 1.00 0.00 C ATOM 17 CD1 ILE A 3 -8.474 4.096 -3.598 1.00 0.00 C ATOM 0 H ILE A 3 -6.941 6.784 -1.007 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.359 6.616 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.067 4.733 -3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.061 4.700 -5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.727 3.143 -4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.739 3.040 -2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.007 4.489 -1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.772 4.267 -1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.107 3.611 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.501 3.525 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.840 5.106 -3.413 1.00 0.00 H new ATOM 29 N LYS A 4 -6.953 7.348 -4.982 1.00 0.00 N ATOM 30 CA LYS A 4 -6.824 8.118 -6.202 1.00 0.00 C ATOM 31 C LYS A 4 -6.906 9.607 -5.896 1.00 0.00 C ATOM 32 O LYS A 4 -6.815 10.445 -6.779 1.00 0.00 O ATOM 33 CB LYS A 4 -7.843 7.665 -7.257 1.00 0.00 C ATOM 34 CG LYS A 4 -9.279 7.664 -6.783 1.00 0.00 C ATOM 35 CD LYS A 4 -10.207 7.142 -7.853 1.00 0.00 C ATOM 36 CE LYS A 4 -11.644 7.123 -7.373 1.00 0.00 C ATOM 37 NZ LYS A 4 -12.176 8.477 -7.110 1.00 0.00 N ATOM 0 H LYS A 4 -7.885 6.966 -4.821 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.841 7.934 -6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.761 8.317 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.582 6.660 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.369 7.048 -5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.573 8.676 -6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.127 7.766 -8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.904 6.135 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.266 6.632 -8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.711 6.528 -6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.161 8.406 -6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.602 8.939 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.140 9.040 -7.984 1.00 0.00 H new ATOM 51 N GLN A 5 -7.098 9.906 -4.624 1.00 0.00 N ATOM 52 CA GLN A 5 -7.017 11.237 -4.111 1.00 0.00 C ATOM 53 C GLN A 5 -6.475 11.226 -2.678 1.00 0.00 C ATOM 54 O GLN A 5 -7.194 10.952 -1.722 1.00 0.00 O ATOM 55 CB GLN A 5 -8.319 12.065 -4.241 1.00 0.00 C ATOM 56 CG GLN A 5 -9.563 11.540 -3.524 1.00 0.00 C ATOM 57 CD GLN A 5 -10.279 10.394 -4.223 1.00 0.00 C ATOM 58 OE1 GLN A 5 -10.248 10.266 -5.449 1.00 0.00 O ATOM 59 NE2 GLN A 5 -10.960 9.591 -3.468 1.00 0.00 N ATOM 0 H GLN A 5 -7.318 9.207 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.309 11.763 -4.752 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.117 13.070 -3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.555 12.157 -5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.276 11.212 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.266 12.364 -3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.965 9.724 -2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.491 8.826 -3.885 1.00 0.00 H new ATOM 68 N TYR A 6 -5.189 11.410 -2.596 1.00 0.00 N ATOM 69 CA TYR A 6 -4.397 11.555 -1.367 1.00 0.00 C ATOM 70 C TYR A 6 -3.140 12.271 -1.710 1.00 0.00 C ATOM 71 O TYR A 6 -2.732 12.313 -2.886 1.00 0.00 O ATOM 72 CB TYR A 6 -3.993 10.233 -0.685 1.00 0.00 C ATOM 73 CG TYR A 6 -5.048 9.539 0.134 1.00 0.00 C ATOM 74 CD1 TYR A 6 -5.842 10.238 1.024 1.00 0.00 C ATOM 75 CD2 TYR A 6 -5.236 8.189 0.027 1.00 0.00 C ATOM 76 CE1 TYR A 6 -6.795 9.595 1.773 1.00 0.00 C ATOM 77 CE2 TYR A 6 -6.180 7.541 0.767 1.00 0.00 C ATOM 78 CZ TYR A 6 -6.956 8.238 1.634 1.00 0.00 C ATOM 79 OH TYR A 6 -7.907 7.576 2.346 1.00 0.00 O ATOM 0 H TYR A 6 -4.608 11.470 -3.433 1.00 0.00 H new ATOM 0 HA TYR A 6 -5.037 12.089 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.654 9.542 -1.457 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.138 10.432 -0.039 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.710 11.305 1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.623 7.623 -0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.412 10.150 2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.310 6.474 0.663 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.880 6.623 2.121 1.00 0.00 H new ATOM 89 N SER A 7 -2.522 12.807 -0.719 1.00 0.00 N ATOM 90 CA SER A 7 -1.297 13.513 -0.884 1.00 0.00 C ATOM 91 C SER A 7 -0.144 12.505 -0.911 1.00 0.00 C ATOM 92 O SER A 7 -0.265 11.382 -0.404 1.00 0.00 O ATOM 93 CB SER A 7 -1.152 14.494 0.271 1.00 0.00 C ATOM 94 OG SER A 7 -2.434 15.029 0.626 1.00 0.00 O ATOM 0 H SER A 7 -2.856 12.768 0.244 1.00 0.00 H new ATOM 0 HA SER A 7 -1.283 14.070 -1.821 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.708 13.993 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.477 15.302 -0.011 1.00 0.00 H new ATOM 0 HG SER A 7 -2.916 14.382 1.182 1.00 0.00 H new ATOM 100 N GLN A 8 0.949 12.914 -1.491 1.00 0.00 N ATOM 101 CA GLN A 8 2.121 12.087 -1.663 1.00 0.00 C ATOM 102 C GLN A 8 2.667 11.604 -0.306 1.00 0.00 C ATOM 103 O GLN A 8 2.844 10.403 -0.078 1.00 0.00 O ATOM 104 CB GLN A 8 3.168 12.911 -2.395 1.00 0.00 C ATOM 105 CG GLN A 8 4.422 12.169 -2.691 1.00 0.00 C ATOM 106 CD GLN A 8 5.454 13.023 -3.401 1.00 0.00 C ATOM 107 OE1 GLN A 8 5.513 13.063 -4.636 1.00 0.00 O ATOM 108 NE2 GLN A 8 6.212 13.768 -2.648 1.00 0.00 N ATOM 0 H GLN A 8 1.057 13.855 -1.869 1.00 0.00 H new ATOM 0 HA GLN A 8 1.864 11.198 -2.239 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.742 13.272 -3.331 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.410 13.788 -1.795 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.846 11.794 -1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.189 11.301 -3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.137 13.709 -1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.881 14.410 -3.074 1.00 0.00 H new ATOM 117 N GLU A 9 2.874 12.544 0.588 1.00 0.00 N ATOM 118 CA GLU A 9 3.375 12.291 1.932 1.00 0.00 C ATOM 119 C GLU A 9 2.326 11.593 2.746 1.00 0.00 C ATOM 120 O GLU A 9 2.623 10.831 3.640 1.00 0.00 O ATOM 121 CB GLU A 9 3.752 13.602 2.626 1.00 0.00 C ATOM 122 CG GLU A 9 4.871 14.378 1.956 1.00 0.00 C ATOM 123 CD GLU A 9 4.515 14.925 0.592 1.00 0.00 C ATOM 124 OE1 GLU A 9 3.329 15.273 0.362 1.00 0.00 O ATOM 125 OE2 GLU A 9 5.389 14.959 -0.288 1.00 0.00 O ATOM 0 H GLU A 9 2.696 13.531 0.402 1.00 0.00 H new ATOM 0 HA GLU A 9 4.262 11.662 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.868 14.237 2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.045 13.382 3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.162 15.206 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.741 13.729 1.859 1.00 0.00 H new ATOM 132 N GLU A 10 1.104 11.858 2.398 1.00 0.00 N ATOM 133 CA GLU A 10 -0.042 11.263 3.058 1.00 0.00 C ATOM 134 C GLU A 10 -0.036 9.763 2.841 1.00 0.00 C ATOM 135 O GLU A 10 -0.215 9.002 3.765 1.00 0.00 O ATOM 136 CB GLU A 10 -1.316 11.897 2.531 1.00 0.00 C ATOM 137 CG GLU A 10 -2.603 11.371 3.123 1.00 0.00 C ATOM 138 CD GLU A 10 -3.751 12.311 2.864 1.00 0.00 C ATOM 139 OE1 GLU A 10 -3.785 12.945 1.767 1.00 0.00 O ATOM 140 OE2 GLU A 10 -4.632 12.444 3.751 1.00 0.00 O ATOM 0 H GLU A 10 0.861 12.498 1.642 1.00 0.00 H new ATOM 0 HA GLU A 10 0.009 11.446 4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.267 12.971 2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.350 11.756 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.828 10.393 2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.481 11.231 4.197 1.00 0.00 H new ATOM 147 N LEU A 11 0.242 9.360 1.619 1.00 0.00 N ATOM 148 CA LEU A 11 0.342 7.952 1.268 1.00 0.00 C ATOM 149 C LEU A 11 1.579 7.320 1.896 1.00 0.00 C ATOM 150 O LEU A 11 1.613 6.122 2.158 1.00 0.00 O ATOM 151 CB LEU A 11 0.351 7.802 -0.234 1.00 0.00 C ATOM 152 CG LEU A 11 -0.956 8.166 -0.926 1.00 0.00 C ATOM 153 CD1 LEU A 11 -0.741 8.339 -2.398 1.00 0.00 C ATOM 154 CD2 LEU A 11 -1.979 7.074 -0.696 1.00 0.00 C ATOM 0 H LEU A 11 0.406 9.996 0.839 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.526 7.425 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.146 8.426 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.599 6.769 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.318 9.105 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.686 8.599 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.017 9.136 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.364 7.409 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.912 7.339 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.606 6.134 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.157 6.961 0.373 1.00 0.00 H new ATOM 166 N LYS A 12 2.592 8.136 2.128 1.00 0.00 N ATOM 167 CA LYS A 12 3.795 7.711 2.842 1.00 0.00 C ATOM 168 C LYS A 12 3.478 7.456 4.322 1.00 0.00 C ATOM 169 O LYS A 12 4.099 6.612 4.971 1.00 0.00 O ATOM 170 CB LYS A 12 4.905 8.769 2.704 1.00 0.00 C ATOM 171 CG LYS A 12 5.755 8.675 1.440 1.00 0.00 C ATOM 172 CD LYS A 12 6.562 7.378 1.419 1.00 0.00 C ATOM 173 CE LYS A 12 7.555 7.342 0.272 1.00 0.00 C ATOM 174 NZ LYS A 12 8.307 6.062 0.210 1.00 0.00 N ATOM 0 H LYS A 12 2.609 9.111 1.830 1.00 0.00 H new ATOM 0 HA LYS A 12 4.149 6.780 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.446 9.757 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.564 8.693 3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.112 8.722 0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.430 9.529 1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.095 7.268 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.882 6.530 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.025 7.494 -0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.258 8.168 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.706 5.940 -0.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.077 6.078 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.665 5.272 0.421 1.00 0.00 H new ATOM 188 N GLU A 13 2.492 8.175 4.824 1.00 0.00 N ATOM 189 CA GLU A 13 2.042 8.065 6.203 1.00 0.00 C ATOM 190 C GLU A 13 0.809 7.177 6.310 1.00 0.00 C ATOM 191 O GLU A 13 -0.006 7.314 7.232 1.00 0.00 O ATOM 192 CB GLU A 13 1.765 9.455 6.775 1.00 0.00 C ATOM 193 CG GLU A 13 3.018 10.292 6.944 1.00 0.00 C ATOM 194 CD GLU A 13 4.013 9.624 7.860 1.00 0.00 C ATOM 195 OE1 GLU A 13 3.886 9.764 9.094 1.00 0.00 O ATOM 196 OE2 GLU A 13 4.932 8.928 7.370 1.00 0.00 O ATOM 0 H GLU A 13 1.972 8.863 4.279 1.00 0.00 H new ATOM 0 HA GLU A 13 2.834 7.598 6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.071 9.980 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.272 9.351 7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.477 10.462 5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.752 11.270 7.346 1.00 0.00 H new ATOM 203 N MET A 14 0.683 6.275 5.377 1.00 0.00 N ATOM 204 CA MET A 14 -0.376 5.302 5.381 1.00 0.00 C ATOM 205 C MET A 14 0.218 3.935 5.214 1.00 0.00 C ATOM 206 O MET A 14 1.283 3.786 4.602 1.00 0.00 O ATOM 207 CB MET A 14 -1.385 5.521 4.242 1.00 0.00 C ATOM 208 CG MET A 14 -2.239 6.770 4.341 1.00 0.00 C ATOM 209 SD MET A 14 -3.431 6.892 2.983 1.00 0.00 S ATOM 210 CE MET A 14 -4.402 5.405 3.248 1.00 0.00 C ATOM 0 H MET A 14 1.319 6.193 4.584 1.00 0.00 H new ATOM 0 HA MET A 14 -0.904 5.404 6.329 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.838 5.553 3.300 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.046 4.656 4.198 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.772 6.769 5.292 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.595 7.650 4.337 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.384 5.525 2.790 1.00 0.00 H new ATOM 0 HE2 MET A 14 -3.893 4.553 2.797 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.519 5.233 4.318 1.00 0.00 H new ATOM 220 N ALA A 15 -0.440 2.949 5.757 1.00 0.00 N ATOM 221 CA ALA A 15 -0.053 1.582 5.547 1.00 0.00 C ATOM 222 C ALA A 15 -0.420 1.242 4.116 1.00 0.00 C ATOM 223 O ALA A 15 -1.540 1.539 3.685 1.00 0.00 O ATOM 224 CB ALA A 15 -0.813 0.681 6.510 1.00 0.00 C ATOM 0 H ALA A 15 -1.257 3.070 6.356 1.00 0.00 H new ATOM 0 HA ALA A 15 1.013 1.439 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.517 -0.356 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.583 0.968 7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.884 0.784 6.336 1.00 0.00 H new ATOM 230 N LEU A 16 0.478 0.657 3.357 1.00 0.00 N ATOM 231 CA LEU A 16 0.140 0.402 1.968 1.00 0.00 C ATOM 232 C LEU A 16 -0.904 -0.694 1.802 1.00 0.00 C ATOM 233 O LEU A 16 -1.594 -0.740 0.792 1.00 0.00 O ATOM 234 CB LEU A 16 1.334 0.291 0.978 1.00 0.00 C ATOM 235 CG LEU A 16 2.261 -0.911 1.044 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.245 -0.856 -0.112 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.004 -0.982 2.358 1.00 0.00 C ATOM 0 H LEU A 16 1.407 0.359 3.654 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.335 1.330 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.924 0.330 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.948 1.182 1.108 1.00 0.00 H new ATOM 0 HG LEU A 16 1.651 -1.811 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.910 -1.718 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.699 -0.870 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.833 0.060 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.655 -1.856 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.605 -0.082 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.289 -1.059 3.177 1.00 0.00 H new ATOM 249 N VAL A 17 -1.055 -1.561 2.805 1.00 0.00 N ATOM 250 CA VAL A 17 -2.143 -2.527 2.772 1.00 0.00 C ATOM 251 C VAL A 17 -3.480 -1.799 2.993 1.00 0.00 C ATOM 252 O VAL A 17 -4.530 -2.230 2.514 1.00 0.00 O ATOM 253 CB VAL A 17 -1.970 -3.673 3.804 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.232 -3.215 5.239 1.00 0.00 C ATOM 255 CG2 VAL A 17 -2.827 -4.856 3.431 1.00 0.00 C ATOM 0 H VAL A 17 -0.453 -1.612 3.627 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.131 -2.998 1.789 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.926 -3.984 3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.097 -4.056 5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.533 -2.421 5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.253 -2.842 5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.692 -5.649 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.874 -4.555 3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.535 -5.221 2.446 1.00 0.00 H new ATOM 265 N GLU A 18 -3.422 -0.662 3.687 1.00 0.00 N ATOM 266 CA GLU A 18 -4.587 0.162 3.906 1.00 0.00 C ATOM 267 C GLU A 18 -4.951 0.799 2.568 1.00 0.00 C ATOM 268 O GLU A 18 -6.111 0.814 2.171 1.00 0.00 O ATOM 269 CB GLU A 18 -4.314 1.215 5.004 1.00 0.00 C ATOM 270 CG GLU A 18 -5.504 2.086 5.375 1.00 0.00 C ATOM 271 CD GLU A 18 -6.667 1.295 5.934 1.00 0.00 C ATOM 272 OE1 GLU A 18 -7.409 0.676 5.154 1.00 0.00 O ATOM 273 OE2 GLU A 18 -6.845 1.256 7.167 1.00 0.00 O ATOM 0 H GLU A 18 -2.567 -0.297 4.106 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.427 -0.433 4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.967 0.701 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.501 1.861 4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.189 2.827 6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.835 2.633 4.493 1.00 0.00 H new ATOM 280 N ILE A 19 -3.914 1.233 1.851 1.00 0.00 N ATOM 281 CA ILE A 19 -4.043 1.751 0.487 1.00 0.00 C ATOM 282 C ILE A 19 -4.679 0.673 -0.402 1.00 0.00 C ATOM 283 O ILE A 19 -5.596 0.944 -1.171 1.00 0.00 O ATOM 284 CB ILE A 19 -2.642 2.157 -0.092 1.00 0.00 C ATOM 285 CG1 ILE A 19 -2.027 3.298 0.743 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.725 2.541 -1.580 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.628 3.712 0.309 1.00 0.00 C ATOM 0 H ILE A 19 -2.956 1.235 2.201 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.674 2.639 0.506 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.989 1.286 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.683 4.167 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.994 2.990 1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.734 2.815 -1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.099 1.693 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.402 3.387 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.272 4.519 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.046 2.859 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.654 4.054 -0.725 1.00 0.00 H new ATOM 299 N ALA A 20 -4.205 -0.554 -0.249 1.00 0.00 N ATOM 300 CA ALA A 20 -4.735 -1.686 -0.981 1.00 0.00 C ATOM 301 C ALA A 20 -6.217 -1.931 -0.649 1.00 0.00 C ATOM 302 O ALA A 20 -6.998 -2.218 -1.537 1.00 0.00 O ATOM 303 CB ALA A 20 -3.899 -2.930 -0.733 1.00 0.00 C ATOM 0 H ALA A 20 -3.443 -0.789 0.386 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.678 -1.450 -2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.317 -3.767 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.874 -2.751 -1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.905 -3.167 0.331 1.00 0.00 H new ATOM 309 N HIS A 21 -6.604 -1.781 0.630 1.00 0.00 N ATOM 310 CA HIS A 21 -8.030 -1.961 1.030 1.00 0.00 C ATOM 311 C HIS A 21 -8.886 -0.998 0.240 1.00 0.00 C ATOM 312 O HIS A 21 -9.875 -1.383 -0.370 1.00 0.00 O ATOM 313 CB HIS A 21 -8.297 -1.658 2.514 1.00 0.00 C ATOM 314 CG HIS A 21 -7.531 -2.433 3.521 1.00 0.00 C ATOM 315 ND1 HIS A 21 -6.990 -1.846 4.620 1.00 0.00 N ATOM 316 CD2 HIS A 21 -7.243 -3.745 3.627 1.00 0.00 C ATOM 317 CE1 HIS A 21 -6.394 -2.741 5.355 1.00 0.00 C ATOM 318 NE2 HIS A 21 -6.533 -3.901 4.782 1.00 0.00 N ATOM 0 H HIS A 21 -5.974 -1.541 1.396 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.267 -3.008 0.839 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -8.098 -0.600 2.682 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.359 -1.817 2.704 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -7.043 -0.851 4.838 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -7.521 -4.523 2.932 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -5.873 -2.552 6.282 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -6.170 -4.785 5.139 1.00 0.00 H new ATOM 327 N GLU A 22 -8.456 0.247 0.249 1.00 0.00 N ATOM 328 CA GLU A 22 -9.111 1.331 -0.448 1.00 0.00 C ATOM 329 C GLU A 22 -9.188 1.038 -1.944 1.00 0.00 C ATOM 330 O GLU A 22 -10.226 1.205 -2.563 1.00 0.00 O ATOM 331 CB GLU A 22 -8.300 2.584 -0.245 1.00 0.00 C ATOM 332 CG GLU A 22 -8.169 3.038 1.181 1.00 0.00 C ATOM 333 CD GLU A 22 -9.455 3.551 1.699 1.00 0.00 C ATOM 334 OE1 GLU A 22 -9.802 4.693 1.357 1.00 0.00 O ATOM 335 OE2 GLU A 22 -10.163 2.824 2.429 1.00 0.00 O ATOM 0 H GLU A 22 -7.620 0.539 0.755 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.122 1.449 -0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.302 2.421 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.752 3.388 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.830 2.207 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.410 3.817 1.249 1.00 0.00 H new ATOM 342 N LEU A 23 -8.065 0.591 -2.499 1.00 0.00 N ATOM 343 CA LEU A 23 -7.924 0.249 -3.919 1.00 0.00 C ATOM 344 C LEU A 23 -8.968 -0.787 -4.312 1.00 0.00 C ATOM 345 O LEU A 23 -9.666 -0.652 -5.332 1.00 0.00 O ATOM 346 CB LEU A 23 -6.493 -0.297 -4.147 1.00 0.00 C ATOM 347 CG LEU A 23 -6.071 -0.740 -5.560 1.00 0.00 C ATOM 348 CD1 LEU A 23 -6.265 0.387 -6.562 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.606 -1.135 -5.513 1.00 0.00 C ATOM 0 H LEU A 23 -7.207 0.452 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.081 1.131 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.793 0.473 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.358 -1.150 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.688 -1.581 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.960 0.050 -7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.316 0.677 -6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.659 1.244 -6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.283 -1.453 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.009 -0.281 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.473 -1.955 -4.807 1.00 0.00 H new ATOM 361 N PHE A 24 -9.114 -1.777 -3.478 1.00 0.00 N ATOM 362 CA PHE A 24 -10.057 -2.822 -3.720 1.00 0.00 C ATOM 363 C PHE A 24 -11.489 -2.417 -3.433 1.00 0.00 C ATOM 364 O PHE A 24 -12.377 -2.891 -4.078 1.00 0.00 O ATOM 365 CB PHE A 24 -9.652 -4.107 -3.036 1.00 0.00 C ATOM 366 CG PHE A 24 -8.478 -4.736 -3.702 1.00 0.00 C ATOM 367 CD1 PHE A 24 -8.641 -5.445 -4.864 1.00 0.00 C ATOM 368 CD2 PHE A 24 -7.224 -4.613 -3.178 1.00 0.00 C ATOM 369 CE1 PHE A 24 -7.574 -6.018 -5.484 1.00 0.00 C ATOM 370 CE2 PHE A 24 -6.143 -5.183 -3.790 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.319 -5.892 -4.952 1.00 0.00 C ATOM 0 H PHE A 24 -8.582 -1.879 -2.614 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.035 -3.018 -4.792 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.413 -3.905 -1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.491 -4.803 -3.042 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.627 -5.550 -5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.083 -4.056 -2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.718 -6.574 -6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.157 -5.076 -3.362 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.472 -6.348 -5.444 1.00 0.00 H new ATOM 381 N GLU A 25 -11.714 -1.560 -2.473 1.00 0.00 N ATOM 382 CA GLU A 25 -13.064 -1.043 -2.239 1.00 0.00 C ATOM 383 C GLU A 25 -13.513 -0.029 -3.283 1.00 0.00 C ATOM 384 O GLU A 25 -14.709 0.228 -3.439 1.00 0.00 O ATOM 385 CB GLU A 25 -13.275 -0.547 -0.812 1.00 0.00 C ATOM 386 CG GLU A 25 -13.630 -1.669 0.151 1.00 0.00 C ATOM 387 CD GLU A 25 -14.991 -2.283 -0.165 1.00 0.00 C ATOM 388 OE1 GLU A 25 -15.147 -2.959 -1.214 1.00 0.00 O ATOM 389 OE2 GLU A 25 -15.948 -2.068 0.617 1.00 0.00 O ATOM 0 H GLU A 25 -11.000 -1.200 -1.840 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.723 -1.903 -2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.369 -0.050 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.070 0.199 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.864 -2.443 0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.634 -1.284 1.171 1.00 0.00 H new ATOM 396 N GLU A 26 -12.566 0.566 -3.963 1.00 0.00 N ATOM 397 CA GLU A 26 -12.856 1.516 -5.015 1.00 0.00 C ATOM 398 C GLU A 26 -13.158 0.758 -6.318 1.00 0.00 C ATOM 399 O GLU A 26 -14.138 1.041 -7.000 1.00 0.00 O ATOM 400 CB GLU A 26 -11.667 2.507 -5.130 1.00 0.00 C ATOM 401 CG GLU A 26 -11.836 3.712 -6.063 1.00 0.00 C ATOM 402 CD GLU A 26 -11.576 3.413 -7.521 1.00 0.00 C ATOM 403 OE1 GLU A 26 -10.412 3.190 -7.880 1.00 0.00 O ATOM 404 OE2 GLU A 26 -12.512 3.463 -8.344 1.00 0.00 O ATOM 0 H GLU A 26 -11.571 0.408 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.745 2.106 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.446 2.884 -4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.793 1.946 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.850 4.097 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.160 4.504 -5.741 1.00 0.00 H new ATOM 411 N HIS A 27 -12.342 -0.241 -6.625 1.00 0.00 N ATOM 412 CA HIS A 27 -12.541 -1.031 -7.847 1.00 0.00 C ATOM 413 C HIS A 27 -13.595 -2.119 -7.666 1.00 0.00 C ATOM 414 O HIS A 27 -14.483 -2.277 -8.512 1.00 0.00 O ATOM 415 CB HIS A 27 -11.218 -1.641 -8.366 1.00 0.00 C ATOM 416 CG HIS A 27 -10.292 -0.641 -8.992 1.00 0.00 C ATOM 417 ND1 HIS A 27 -10.023 -0.608 -10.336 1.00 0.00 N ATOM 418 CD2 HIS A 27 -9.610 0.390 -8.458 1.00 0.00 C ATOM 419 CE1 HIS A 27 -9.229 0.402 -10.601 1.00 0.00 C ATOM 420 NE2 HIS A 27 -8.962 1.032 -9.477 1.00 0.00 N ATOM 0 H HIS A 27 -11.544 -0.526 -6.058 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.908 -0.334 -8.600 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.704 -2.128 -7.537 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.449 -2.415 -9.097 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.580 0.661 -7.413 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.857 0.671 -11.578 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -8.372 1.859 -9.382 1.00 0.00 H new ATOM 429 N LYS A 28 -13.499 -2.836 -6.546 1.00 0.00 N ATOM 430 CA LYS A 28 -14.352 -3.986 -6.207 1.00 0.00 C ATOM 431 C LYS A 28 -14.197 -5.069 -7.259 1.00 0.00 C ATOM 432 O LYS A 28 -15.165 -5.611 -7.796 1.00 0.00 O ATOM 433 CB LYS A 28 -15.813 -3.568 -5.989 1.00 0.00 C ATOM 434 CG LYS A 28 -15.987 -2.582 -4.839 1.00 0.00 C ATOM 435 CD LYS A 28 -17.425 -2.127 -4.704 1.00 0.00 C ATOM 436 CE LYS A 28 -17.589 -1.078 -3.615 1.00 0.00 C ATOM 437 NZ LYS A 28 -17.263 -1.597 -2.269 1.00 0.00 N ATOM 0 H LYS A 28 -12.807 -2.630 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.023 -4.401 -5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.197 -3.120 -6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.413 -4.456 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.664 -3.048 -3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.345 -1.716 -5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.767 -1.719 -5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.058 -2.986 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.946 -0.226 -3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.616 -0.712 -3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.276 -0.815 -1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.966 -2.312 -1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.317 -2.029 -2.283 1.00 0.00 H new ATOM 451 N LYS A 29 -12.942 -5.393 -7.514 1.00 0.00 N ATOM 452 CA LYS A 29 -12.544 -6.322 -8.536 1.00 0.00 C ATOM 453 C LYS A 29 -11.389 -7.096 -7.961 1.00 0.00 C ATOM 454 O LYS A 29 -10.583 -6.511 -7.242 1.00 0.00 O ATOM 455 CB LYS A 29 -11.997 -5.568 -9.778 1.00 0.00 C ATOM 456 CG LYS A 29 -12.886 -4.473 -10.344 1.00 0.00 C ATOM 457 CD LYS A 29 -14.177 -5.005 -10.916 1.00 0.00 C ATOM 458 CE LYS A 29 -15.072 -3.860 -11.356 1.00 0.00 C ATOM 459 NZ LYS A 29 -14.436 -2.987 -12.371 1.00 0.00 N ATOM 0 H LYS A 29 -12.155 -5.001 -6.996 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.391 -6.942 -8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.036 -5.127 -9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.808 -6.297 -10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.112 -3.752 -9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.343 -3.936 -11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.965 -5.656 -11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.691 -5.611 -10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.999 -4.265 -11.762 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.341 -3.261 -10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.148 -2.342 -12.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.677 -2.433 -11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.036 -3.573 -13.132 1.00 0.00 H new ATOM 473 N PRO A 30 -11.300 -8.394 -8.192 1.00 0.00 N ATOM 474 CA PRO A 30 -10.129 -9.150 -7.801 1.00 0.00 C ATOM 475 C PRO A 30 -8.955 -8.798 -8.732 1.00 0.00 C ATOM 476 O PRO A 30 -8.985 -9.103 -9.939 1.00 0.00 O ATOM 477 CB PRO A 30 -10.560 -10.622 -7.963 1.00 0.00 C ATOM 478 CG PRO A 30 -12.039 -10.581 -8.189 1.00 0.00 C ATOM 479 CD PRO A 30 -12.330 -9.248 -8.796 1.00 0.00 C ATOM 0 HA PRO A 30 -9.792 -8.939 -6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.047 -11.091 -8.803 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.314 -11.203 -7.074 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.354 -11.388 -8.851 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.580 -10.708 -7.251 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.252 -9.271 -9.883 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.336 -8.903 -8.556 1.00 0.00 H new ATOM 487 N VAL A 31 -7.956 -8.140 -8.181 1.00 0.00 N ATOM 488 CA VAL A 31 -6.817 -7.647 -8.945 1.00 0.00 C ATOM 489 C VAL A 31 -5.556 -8.358 -8.460 1.00 0.00 C ATOM 490 O VAL A 31 -5.354 -8.493 -7.245 1.00 0.00 O ATOM 491 CB VAL A 31 -6.624 -6.096 -8.757 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.480 -5.558 -9.598 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.898 -5.326 -9.061 1.00 0.00 C ATOM 0 H VAL A 31 -7.906 -7.928 -7.184 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.000 -7.846 -10.001 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.374 -5.947 -7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.383 -4.484 -9.437 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.553 -6.053 -9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.682 -5.750 -10.652 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.721 -4.260 -8.919 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.197 -5.510 -10.093 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.691 -5.655 -8.389 1.00 0.00 H new ATOM 503 N PRO A 32 -4.721 -8.871 -9.386 1.00 0.00 N ATOM 504 CA PRO A 32 -3.478 -9.562 -9.037 1.00 0.00 C ATOM 505 C PRO A 32 -2.499 -8.648 -8.292 1.00 0.00 C ATOM 506 O PRO A 32 -2.516 -7.413 -8.474 1.00 0.00 O ATOM 507 CB PRO A 32 -2.899 -9.961 -10.395 1.00 0.00 C ATOM 508 CG PRO A 32 -4.054 -9.941 -11.321 1.00 0.00 C ATOM 509 CD PRO A 32 -4.924 -8.838 -10.845 1.00 0.00 C ATOM 0 HA PRO A 32 -3.654 -10.405 -8.369 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.124 -9.264 -10.714 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.442 -10.950 -10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.731 -9.771 -12.348 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.584 -10.893 -11.307 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.632 -7.879 -11.273 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.968 -9.002 -11.112 1.00 0.00 H new ATOM 517 N PHE A 33 -1.632 -9.261 -7.492 1.00 0.00 N ATOM 518 CA PHE A 33 -0.662 -8.561 -6.646 1.00 0.00 C ATOM 519 C PHE A 33 0.191 -7.576 -7.451 1.00 0.00 C ATOM 520 O PHE A 33 0.435 -6.455 -7.028 1.00 0.00 O ATOM 521 CB PHE A 33 0.230 -9.585 -5.915 1.00 0.00 C ATOM 522 CG PHE A 33 1.243 -8.982 -4.969 1.00 0.00 C ATOM 523 CD1 PHE A 33 0.875 -8.595 -3.691 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.562 -8.809 -5.360 1.00 0.00 C ATOM 525 CE1 PHE A 33 1.797 -8.049 -2.825 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.487 -8.263 -4.497 1.00 0.00 C ATOM 527 CZ PHE A 33 3.106 -7.881 -3.227 1.00 0.00 C ATOM 0 H PHE A 33 -1.580 -10.276 -7.410 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.216 -7.978 -5.910 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.409 -10.267 -5.354 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.758 -10.182 -6.659 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.148 -8.723 -3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.868 -9.106 -6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.495 -7.752 -1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.511 -8.134 -4.815 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.830 -7.452 -2.550 1.00 0.00 H new ATOM 537 N GLN A 34 0.594 -7.978 -8.618 1.00 0.00 N ATOM 538 CA GLN A 34 1.437 -7.149 -9.450 1.00 0.00 C ATOM 539 C GLN A 34 0.687 -5.960 -10.038 1.00 0.00 C ATOM 540 O GLN A 34 1.238 -4.856 -10.147 1.00 0.00 O ATOM 541 CB GLN A 34 2.077 -7.985 -10.544 1.00 0.00 C ATOM 542 CG GLN A 34 3.075 -9.003 -10.019 1.00 0.00 C ATOM 543 CD GLN A 34 4.448 -8.411 -9.689 1.00 0.00 C ATOM 544 OE1 GLN A 34 4.532 -7.121 -9.468 1.00 0.00 O flip ATOM 545 NE2 GLN A 34 5.449 -9.117 -9.727 1.00 0.00 N flip ATOM 0 H GLN A 34 0.354 -8.882 -9.025 1.00 0.00 H new ATOM 0 HA GLN A 34 2.220 -6.737 -8.814 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.295 -8.505 -11.098 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.581 -7.324 -11.249 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.666 -9.469 -9.123 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.199 -9.792 -10.761 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.361 -10.118 -9.900 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.371 -8.703 -9.585 1.00 0.00 H new ATOM 554 N GLU A 35 -0.571 -6.155 -10.324 1.00 0.00 N ATOM 555 CA GLU A 35 -1.356 -5.158 -10.987 1.00 0.00 C ATOM 556 C GLU A 35 -1.806 -4.116 -9.993 1.00 0.00 C ATOM 557 O GLU A 35 -1.909 -2.931 -10.312 1.00 0.00 O ATOM 558 CB GLU A 35 -2.520 -5.809 -11.748 1.00 0.00 C ATOM 559 CG GLU A 35 -2.120 -6.501 -13.076 1.00 0.00 C ATOM 560 CD GLU A 35 -0.928 -7.454 -12.973 1.00 0.00 C ATOM 561 OE1 GLU A 35 -1.105 -8.611 -12.545 1.00 0.00 O ATOM 562 OE2 GLU A 35 0.213 -7.046 -13.313 1.00 0.00 O ATOM 0 H GLU A 35 -1.079 -7.012 -10.102 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.750 -4.645 -11.734 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.994 -6.545 -11.099 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.268 -5.046 -11.963 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.979 -7.057 -13.452 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.889 -5.733 -13.814 1.00 0.00 H new ATOM 569 N LEU A 36 -2.020 -4.554 -8.768 1.00 0.00 N ATOM 570 CA LEU A 36 -2.372 -3.655 -7.707 1.00 0.00 C ATOM 571 C LEU A 36 -1.175 -2.740 -7.362 1.00 0.00 C ATOM 572 O LEU A 36 -1.352 -1.585 -7.017 1.00 0.00 O ATOM 573 CB LEU A 36 -2.988 -4.417 -6.483 1.00 0.00 C ATOM 574 CG LEU A 36 -2.087 -5.389 -5.684 1.00 0.00 C ATOM 575 CD1 LEU A 36 -1.165 -4.670 -4.724 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.906 -6.433 -4.950 1.00 0.00 C ATOM 0 H LEU A 36 -1.954 -5.533 -8.490 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.170 -2.993 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.369 -3.670 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.847 -4.983 -6.844 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.461 -5.895 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.556 -5.399 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.516 -3.993 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.758 -4.099 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.240 -7.098 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.583 -5.940 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.485 -7.013 -5.669 1.00 0.00 H new ATOM 588 N LEU A 37 0.057 -3.265 -7.502 1.00 0.00 N ATOM 589 CA LEU A 37 1.267 -2.489 -7.251 1.00 0.00 C ATOM 590 C LEU A 37 1.404 -1.381 -8.279 1.00 0.00 C ATOM 591 O LEU A 37 1.844 -0.283 -7.951 1.00 0.00 O ATOM 592 CB LEU A 37 2.492 -3.384 -7.297 1.00 0.00 C ATOM 593 CG LEU A 37 2.601 -4.448 -6.216 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.759 -5.368 -6.519 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.789 -3.806 -4.852 1.00 0.00 C ATOM 0 H LEU A 37 0.231 -4.228 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 37 1.190 -2.047 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.514 -3.881 -8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.378 -2.751 -7.242 1.00 0.00 H new ATOM 0 HG LEU A 37 1.677 -5.026 -6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.833 -6.128 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.598 -5.850 -7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.683 -4.791 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.865 -4.583 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.701 -3.209 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.936 -3.164 -4.631 1.00 0.00 H new ATOM 607 N ASN A 38 1.050 -1.702 -9.526 1.00 0.00 N ATOM 608 CA ASN A 38 0.987 -0.720 -10.630 1.00 0.00 C ATOM 609 C ASN A 38 0.121 0.461 -10.200 1.00 0.00 C ATOM 610 O ASN A 38 0.515 1.634 -10.330 1.00 0.00 O ATOM 611 CB ASN A 38 0.321 -1.326 -11.889 1.00 0.00 C ATOM 612 CG ASN A 38 0.996 -2.523 -12.552 1.00 0.00 C ATOM 613 OD1 ASN A 38 0.319 -3.342 -13.160 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.282 -2.639 -12.474 1.00 0.00 N ATOM 0 H ASN A 38 0.797 -2.649 -9.807 1.00 0.00 H new ATOM 0 HA ASN A 38 2.009 -0.419 -10.860 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.693 -1.621 -11.620 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.236 -0.536 -12.635 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.751 -3.425 -12.924 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.827 -1.945 -11.962 1.00 0.00 H new ATOM 621 N GLU A 39 -1.051 0.128 -9.669 1.00 0.00 N ATOM 622 CA GLU A 39 -2.016 1.104 -9.181 1.00 0.00 C ATOM 623 C GLU A 39 -1.423 1.937 -8.066 1.00 0.00 C ATOM 624 O GLU A 39 -1.397 3.169 -8.144 1.00 0.00 O ATOM 625 CB GLU A 39 -3.231 0.381 -8.637 1.00 0.00 C ATOM 626 CG GLU A 39 -3.919 -0.499 -9.638 1.00 0.00 C ATOM 627 CD GLU A 39 -4.505 0.284 -10.764 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.658 0.750 -10.636 1.00 0.00 O ATOM 629 OE2 GLU A 39 -3.836 0.452 -11.788 1.00 0.00 O ATOM 0 H GLU A 39 -1.360 -0.838 -9.565 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.291 1.755 -10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.928 -0.226 -7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.944 1.118 -8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.207 -1.224 -10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.707 -1.065 -9.141 1.00 0.00 H new ATOM 636 N ILE A 40 -0.920 1.243 -7.047 1.00 0.00 N ATOM 637 CA ILE A 40 -0.371 1.872 -5.857 1.00 0.00 C ATOM 638 C ILE A 40 0.737 2.840 -6.215 1.00 0.00 C ATOM 639 O ILE A 40 0.644 4.001 -5.893 1.00 0.00 O ATOM 640 CB ILE A 40 0.163 0.820 -4.828 1.00 0.00 C ATOM 641 CG1 ILE A 40 -0.978 -0.081 -4.334 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.847 1.508 -3.638 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.523 -1.208 -3.428 1.00 0.00 C ATOM 0 H ILE A 40 -0.884 0.224 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.189 2.420 -5.389 1.00 0.00 H new ATOM 0 HB ILE A 40 0.903 0.202 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.705 0.530 -3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.491 -0.506 -5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.208 0.753 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.687 2.103 -3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.132 2.157 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.386 -1.799 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.181 -1.844 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.036 -0.792 -2.546 1.00 0.00 H new ATOM 655 N ALA A 41 1.728 2.370 -6.953 1.00 0.00 N ATOM 656 CA ALA A 41 2.887 3.190 -7.303 1.00 0.00 C ATOM 657 C ALA A 41 2.522 4.402 -8.137 1.00 0.00 C ATOM 658 O ALA A 41 3.238 5.376 -8.144 1.00 0.00 O ATOM 659 CB ALA A 41 3.976 2.377 -7.965 1.00 0.00 C ATOM 0 H ALA A 41 1.758 1.421 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 41 3.281 3.567 -6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.818 3.026 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.307 1.592 -7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.589 1.927 -8.879 1.00 0.00 H new ATOM 665 N SER A 42 1.483 4.301 -8.914 1.00 0.00 N ATOM 666 CA SER A 42 1.022 5.445 -9.668 1.00 0.00 C ATOM 667 C SER A 42 0.303 6.474 -8.789 1.00 0.00 C ATOM 668 O SER A 42 0.574 7.679 -8.877 1.00 0.00 O ATOM 669 CB SER A 42 0.177 5.015 -10.855 1.00 0.00 C ATOM 670 OG SER A 42 0.900 4.114 -11.688 1.00 0.00 O ATOM 0 H SER A 42 0.938 3.449 -9.046 1.00 0.00 H new ATOM 0 HA SER A 42 1.905 5.949 -10.060 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.738 4.538 -10.503 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.122 5.891 -11.431 1.00 0.00 H new ATOM 0 HG SER A 42 0.830 3.206 -11.326 1.00 0.00 H new ATOM 676 N LEU A 43 -0.596 6.004 -7.953 1.00 0.00 N ATOM 677 CA LEU A 43 -1.371 6.890 -7.096 1.00 0.00 C ATOM 678 C LEU A 43 -0.463 7.504 -6.045 1.00 0.00 C ATOM 679 O LEU A 43 -0.618 8.659 -5.650 1.00 0.00 O ATOM 680 CB LEU A 43 -2.520 6.114 -6.444 1.00 0.00 C ATOM 681 CG LEU A 43 -3.467 5.390 -7.415 1.00 0.00 C ATOM 682 CD1 LEU A 43 -4.555 4.655 -6.666 1.00 0.00 C ATOM 683 CD2 LEU A 43 -4.067 6.356 -8.429 1.00 0.00 C ATOM 0 H LEU A 43 -0.813 5.013 -7.844 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.801 7.693 -7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.096 5.378 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.107 6.807 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.876 4.656 -7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.210 4.152 -7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.105 3.917 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.135 5.366 -6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.732 5.812 -9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.632 7.128 -7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.268 6.820 -9.007 1.00 0.00 H new ATOM 695 N LEU A 44 0.501 6.726 -5.641 1.00 0.00 N ATOM 696 CA LEU A 44 1.485 7.116 -4.684 1.00 0.00 C ATOM 697 C LEU A 44 2.585 7.834 -5.445 1.00 0.00 C ATOM 698 O LEU A 44 3.229 7.244 -6.275 1.00 0.00 O ATOM 699 CB LEU A 44 2.048 5.843 -4.036 1.00 0.00 C ATOM 700 CG LEU A 44 2.437 5.867 -2.562 1.00 0.00 C ATOM 701 CD1 LEU A 44 3.054 4.535 -2.180 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.364 7.014 -2.223 1.00 0.00 C ATOM 0 H LEU A 44 0.623 5.773 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 44 1.071 7.764 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.308 5.054 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.931 5.549 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 44 1.530 6.028 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.332 4.552 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.332 3.737 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.942 4.358 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.608 6.983 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.279 6.928 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.873 7.959 -2.454 1.00 0.00 H new ATOM 714 N GLY A 45 2.733 9.106 -5.210 1.00 0.00 N ATOM 715 CA GLY A 45 3.803 9.886 -5.855 1.00 0.00 C ATOM 716 C GLY A 45 5.225 9.466 -5.446 1.00 0.00 C ATOM 717 O GLY A 45 5.908 10.184 -4.736 1.00 0.00 O ATOM 0 H GLY A 45 2.138 9.644 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.705 9.791 -6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.664 10.940 -5.614 1.00 0.00 H new ATOM 721 N VAL A 46 5.648 8.307 -5.889 1.00 0.00 N ATOM 722 CA VAL A 46 6.969 7.750 -5.582 1.00 0.00 C ATOM 723 C VAL A 46 7.530 6.996 -6.762 1.00 0.00 C ATOM 724 O VAL A 46 6.930 6.967 -7.842 1.00 0.00 O ATOM 725 CB VAL A 46 6.896 6.752 -4.415 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.667 7.455 -3.105 1.00 0.00 C ATOM 727 CG2 VAL A 46 5.804 5.723 -4.682 1.00 0.00 C ATOM 0 H VAL A 46 5.083 7.703 -6.485 1.00 0.00 H new ATOM 0 HA VAL A 46 7.605 8.598 -5.326 1.00 0.00 H new ATOM 0 HB VAL A 46 7.854 6.237 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.620 6.720 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.487 8.148 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.728 8.006 -3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.757 5.018 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.844 6.229 -4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.029 5.184 -5.603 1.00 0.00 H new ATOM 737 N LYS A 47 8.666 6.380 -6.548 1.00 0.00 N ATOM 738 CA LYS A 47 9.279 5.547 -7.538 1.00 0.00 C ATOM 739 C LYS A 47 8.849 4.112 -7.288 1.00 0.00 C ATOM 740 O LYS A 47 8.514 3.739 -6.164 1.00 0.00 O ATOM 741 CB LYS A 47 10.801 5.658 -7.451 1.00 0.00 C ATOM 742 CG LYS A 47 11.324 7.081 -7.565 1.00 0.00 C ATOM 743 CD LYS A 47 12.830 7.156 -7.365 1.00 0.00 C ATOM 744 CE LYS A 47 13.603 6.458 -8.472 1.00 0.00 C ATOM 745 NZ LYS A 47 13.375 7.072 -9.793 1.00 0.00 N ATOM 0 H LYS A 47 9.190 6.446 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 47 8.969 5.864 -8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.132 5.235 -6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.245 5.054 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.069 7.483 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.829 7.709 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.135 8.201 -7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.088 6.705 -6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.668 6.486 -8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.312 5.408 -8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.079 6.713 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.420 6.832 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.465 8.105 -9.716 1.00 0.00 H new ATOM 759 N LYS A 48 8.867 3.322 -8.313 1.00 0.00 N ATOM 760 CA LYS A 48 8.462 1.934 -8.215 1.00 0.00 C ATOM 761 C LYS A 48 9.499 1.110 -7.441 1.00 0.00 C ATOM 762 O LYS A 48 9.149 0.271 -6.624 1.00 0.00 O ATOM 763 CB LYS A 48 8.244 1.358 -9.611 1.00 0.00 C ATOM 764 CG LYS A 48 8.064 -0.146 -9.654 1.00 0.00 C ATOM 765 CD LYS A 48 6.741 -0.651 -9.062 1.00 0.00 C ATOM 766 CE LYS A 48 6.752 -2.153 -9.090 1.00 0.00 C ATOM 767 NZ LYS A 48 5.422 -2.731 -8.902 1.00 0.00 N ATOM 0 H LYS A 48 9.161 3.609 -9.247 1.00 0.00 H new ATOM 0 HA LYS A 48 7.523 1.884 -7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.364 1.828 -10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.095 1.627 -10.237 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.132 -0.477 -10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.889 -0.613 -9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.621 -0.292 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.898 -0.267 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.159 -2.491 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.418 -2.522 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.431 -3.360 -8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.730 -1.969 -8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.158 -3.276 -9.747 1.00 0.00 H new ATOM 781 N GLU A 49 10.762 1.382 -7.698 1.00 0.00 N ATOM 782 CA GLU A 49 11.883 0.661 -7.080 1.00 0.00 C ATOM 783 C GLU A 49 11.903 0.756 -5.530 1.00 0.00 C ATOM 784 O GLU A 49 12.125 -0.263 -4.832 1.00 0.00 O ATOM 785 CB GLU A 49 13.200 1.125 -7.694 1.00 0.00 C ATOM 786 CG GLU A 49 13.344 2.632 -7.748 1.00 0.00 C ATOM 787 CD GLU A 49 14.685 3.064 -8.246 1.00 0.00 C ATOM 788 OE1 GLU A 49 15.629 3.112 -7.437 1.00 0.00 O ATOM 789 OE2 GLU A 49 14.824 3.370 -9.443 1.00 0.00 O ATOM 0 H GLU A 49 11.054 2.114 -8.346 1.00 0.00 H new ATOM 0 HA GLU A 49 11.743 -0.398 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.027 0.709 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.282 0.724 -8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.570 3.044 -8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.180 3.045 -6.753 1.00 0.00 H new ATOM 796 N GLU A 50 11.600 1.946 -4.992 1.00 0.00 N ATOM 797 CA GLU A 50 11.571 2.136 -3.538 1.00 0.00 C ATOM 798 C GLU A 50 10.417 1.330 -2.963 1.00 0.00 C ATOM 799 O GLU A 50 10.455 0.862 -1.825 1.00 0.00 O ATOM 800 CB GLU A 50 11.434 3.626 -3.164 1.00 0.00 C ATOM 801 CG GLU A 50 10.116 4.262 -3.574 1.00 0.00 C ATOM 802 CD GLU A 50 10.039 5.721 -3.234 1.00 0.00 C ATOM 803 OE1 GLU A 50 9.771 6.067 -2.060 1.00 0.00 O ATOM 804 OE2 GLU A 50 10.264 6.563 -4.140 1.00 0.00 O ATOM 0 H GLU A 50 11.375 2.780 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 50 12.514 1.787 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.552 3.729 -2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.250 4.180 -3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.977 4.137 -4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.297 3.736 -3.083 1.00 0.00 H new ATOM 811 N LEU A 51 9.409 1.124 -3.795 1.00 0.00 N ATOM 812 CA LEU A 51 8.287 0.335 -3.423 1.00 0.00 C ATOM 813 C LEU A 51 8.561 -1.114 -3.667 1.00 0.00 C ATOM 814 O LEU A 51 7.755 -1.914 -3.349 1.00 0.00 O ATOM 815 CB LEU A 51 7.017 0.724 -4.154 1.00 0.00 C ATOM 816 CG LEU A 51 6.453 2.101 -3.886 1.00 0.00 C ATOM 817 CD1 LEU A 51 5.181 2.256 -4.674 1.00 0.00 C ATOM 818 CD2 LEU A 51 6.183 2.301 -2.400 1.00 0.00 C ATOM 0 H LEU A 51 9.362 1.505 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 51 8.129 0.520 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.205 0.640 -5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.249 -0.009 -3.907 1.00 0.00 H new ATOM 0 HG LEU A 51 7.178 2.855 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.759 3.245 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.395 2.142 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.466 1.494 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.778 3.299 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.464 1.557 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.113 2.190 -1.843 1.00 0.00 H new ATOM 830 N GLY A 52 9.696 -1.429 -4.270 1.00 0.00 N ATOM 831 CA GLY A 52 10.100 -2.810 -4.453 1.00 0.00 C ATOM 832 C GLY A 52 10.593 -3.319 -3.144 1.00 0.00 C ATOM 833 O GLY A 52 10.227 -4.430 -2.675 1.00 0.00 O ATOM 0 H GLY A 52 10.354 -0.744 -4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.260 -3.410 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.882 -2.882 -5.209 1.00 0.00 H new ATOM 837 N ASP A 53 11.373 -2.468 -2.504 1.00 0.00 N ATOM 838 CA ASP A 53 11.821 -2.716 -1.135 1.00 0.00 C ATOM 839 C ASP A 53 10.579 -2.842 -0.249 1.00 0.00 C ATOM 840 O ASP A 53 10.420 -3.778 0.599 1.00 0.00 O ATOM 841 CB ASP A 53 12.663 -1.544 -0.622 1.00 0.00 C ATOM 842 CG ASP A 53 13.934 -1.301 -1.382 1.00 0.00 C ATOM 843 OD1 ASP A 53 14.790 -2.202 -1.424 1.00 0.00 O ATOM 844 OD2 ASP A 53 14.106 -0.209 -1.939 1.00 0.00 O ATOM 0 H ASP A 53 11.713 -1.595 -2.907 1.00 0.00 H new ATOM 0 HA ASP A 53 12.425 -3.623 -1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.058 -0.638 -0.655 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.911 -1.724 0.424 1.00 0.00 H new ATOM 849 N ARG A 54 9.661 -1.933 -0.495 1.00 0.00 N ATOM 850 CA ARG A 54 8.424 -1.903 0.214 1.00 0.00 C ATOM 851 C ARG A 54 7.538 -3.103 -0.177 1.00 0.00 C ATOM 852 O ARG A 54 6.652 -3.422 0.537 1.00 0.00 O ATOM 853 CB ARG A 54 7.679 -0.580 -0.011 1.00 0.00 C ATOM 854 CG ARG A 54 6.545 -0.330 0.978 1.00 0.00 C ATOM 855 CD ARG A 54 7.081 -0.085 2.375 1.00 0.00 C ATOM 856 NE ARG A 54 6.028 -0.019 3.396 1.00 0.00 N ATOM 857 CZ ARG A 54 5.915 0.944 4.327 1.00 0.00 C ATOM 858 NH1 ARG A 54 6.684 2.032 4.273 1.00 0.00 N ATOM 859 NH2 ARG A 54 5.007 0.828 5.299 1.00 0.00 N ATOM 0 H ARG A 54 9.762 -1.198 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 54 8.652 -1.977 1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.392 0.242 0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.273 -0.571 -1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.959 0.530 0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.872 -1.188 0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.779 -0.881 2.634 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.644 0.848 2.382 1.00 0.00 H new ATOM 0 HE ARG A 54 5.328 -0.761 3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.365 2.139 3.521 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.591 2.758 4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.400 0.009 5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.921 1.558 6.006 1.00 0.00 H new ATOM 873 N ILE A 55 7.806 -3.759 -1.320 1.00 0.00 N ATOM 874 CA ILE A 55 7.062 -4.967 -1.742 1.00 0.00 C ATOM 875 C ILE A 55 7.367 -6.077 -0.780 1.00 0.00 C ATOM 876 O ILE A 55 6.476 -6.814 -0.371 1.00 0.00 O ATOM 877 CB ILE A 55 7.386 -5.435 -3.220 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.788 -4.478 -4.249 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.895 -6.858 -3.492 1.00 0.00 C ATOM 880 CD1 ILE A 55 7.162 -4.794 -5.685 1.00 0.00 C ATOM 0 H ILE A 55 8.535 -3.474 -1.973 1.00 0.00 H new ATOM 0 HA ILE A 55 6.002 -4.712 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 55 8.472 -5.425 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.702 -4.495 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.112 -3.464 -4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.138 -7.137 -4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.381 -7.549 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.815 -6.904 -3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.696 -4.067 -6.351 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.245 -4.747 -5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.814 -5.795 -5.940 1.00 0.00 H new ATOM 892 N ALA A 56 8.627 -6.176 -0.392 1.00 0.00 N ATOM 893 CA ALA A 56 9.018 -7.160 0.620 1.00 0.00 C ATOM 894 C ALA A 56 8.261 -6.888 1.934 1.00 0.00 C ATOM 895 O ALA A 56 7.646 -7.814 2.557 1.00 0.00 O ATOM 896 CB ALA A 56 10.508 -7.107 0.849 1.00 0.00 C ATOM 0 H ALA A 56 9.390 -5.601 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 56 8.759 -8.158 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.787 -7.843 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.028 -7.328 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.788 -6.111 1.193 1.00 0.00 H new ATOM 902 N GLN A 57 8.252 -5.613 2.331 1.00 0.00 N ATOM 903 CA GLN A 57 7.525 -5.200 3.540 1.00 0.00 C ATOM 904 C GLN A 57 6.019 -5.483 3.362 1.00 0.00 C ATOM 905 O GLN A 57 5.353 -5.927 4.278 1.00 0.00 O ATOM 906 CB GLN A 57 7.794 -3.698 3.827 1.00 0.00 C ATOM 907 CG GLN A 57 7.294 -3.150 5.181 1.00 0.00 C ATOM 908 CD GLN A 57 5.793 -2.912 5.265 1.00 0.00 C ATOM 909 OE1 GLN A 57 5.144 -2.599 4.270 1.00 0.00 O ATOM 910 NE2 GLN A 57 5.245 -3.032 6.448 1.00 0.00 N ATOM 0 H GLN A 57 8.732 -4.856 1.843 1.00 0.00 H new ATOM 0 HA GLN A 57 7.876 -5.773 4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.869 -3.527 3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.333 -3.112 3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.580 -3.849 5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.807 -2.211 5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.817 -3.294 7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.246 -2.864 6.567 1.00 0.00 H new ATOM 919 N PHE A 58 5.545 -5.272 2.161 1.00 0.00 N ATOM 920 CA PHE A 58 4.151 -5.409 1.785 1.00 0.00 C ATOM 921 C PHE A 58 3.712 -6.870 1.808 1.00 0.00 C ATOM 922 O PHE A 58 2.590 -7.160 2.182 1.00 0.00 O ATOM 923 CB PHE A 58 3.941 -4.762 0.413 1.00 0.00 C ATOM 924 CG PHE A 58 2.528 -4.560 -0.032 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.584 -4.017 0.816 1.00 0.00 C ATOM 926 CD2 PHE A 58 2.166 -4.847 -1.326 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.302 -3.769 0.378 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.885 -4.612 -1.768 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.050 -4.069 -0.917 1.00 0.00 C ATOM 0 H PHE A 58 6.140 -4.988 1.382 1.00 0.00 H new ATOM 0 HA PHE A 58 3.524 -4.894 2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.437 -3.792 0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.447 -5.376 -0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.854 -3.784 1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.896 -5.262 -2.004 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.426 -3.340 1.051 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.613 -4.854 -2.785 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.055 -3.879 -1.264 1.00 0.00 H new ATOM 939 N TYR A 59 4.598 -7.795 1.420 1.00 0.00 N ATOM 940 CA TYR A 59 4.298 -9.223 1.569 1.00 0.00 C ATOM 941 C TYR A 59 4.002 -9.519 3.016 1.00 0.00 C ATOM 942 O TYR A 59 3.007 -10.188 3.341 1.00 0.00 O ATOM 943 CB TYR A 59 5.428 -10.133 1.069 1.00 0.00 C ATOM 944 CG TYR A 59 5.436 -10.379 -0.425 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.367 -11.025 -1.032 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.503 -9.991 -1.221 1.00 0.00 C ATOM 947 CE1 TYR A 59 4.357 -11.275 -2.385 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.501 -10.240 -2.582 1.00 0.00 C ATOM 949 CZ TYR A 59 5.425 -10.883 -3.158 1.00 0.00 C ATOM 950 OH TYR A 59 5.415 -11.130 -4.515 1.00 0.00 O ATOM 0 H TYR A 59 5.508 -7.587 1.010 1.00 0.00 H new ATOM 0 HA TYR A 59 3.429 -9.438 0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.383 -9.692 1.355 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.354 -11.093 1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.527 -11.337 -0.430 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.347 -9.488 -0.773 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.515 -11.777 -2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.338 -9.932 -3.191 1.00 0.00 H new ATOM 0 HH TYR A 59 4.889 -10.439 -4.969 1.00 0.00 H new ATOM 960 N THR A 60 4.839 -8.980 3.884 1.00 0.00 N ATOM 961 CA THR A 60 4.618 -9.079 5.308 1.00 0.00 C ATOM 962 C THR A 60 3.263 -8.411 5.692 1.00 0.00 C ATOM 963 O THR A 60 2.435 -9.006 6.390 1.00 0.00 O ATOM 964 CB THR A 60 5.779 -8.384 6.055 1.00 0.00 C ATOM 965 OG1 THR A 60 7.030 -9.014 5.696 1.00 0.00 O ATOM 966 CG2 THR A 60 5.581 -8.423 7.565 1.00 0.00 C ATOM 0 H THR A 60 5.681 -8.468 3.622 1.00 0.00 H new ATOM 0 HA THR A 60 4.579 -10.130 5.593 1.00 0.00 H new ATOM 0 HB THR A 60 5.797 -7.336 5.756 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.766 -8.572 6.168 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.418 -7.925 8.055 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.653 -7.913 7.824 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.530 -9.459 7.899 1.00 0.00 H new ATOM 974 N ASP A 61 3.045 -7.219 5.155 1.00 0.00 N ATOM 975 CA ASP A 61 1.883 -6.362 5.444 1.00 0.00 C ATOM 976 C ASP A 61 0.552 -7.074 5.095 1.00 0.00 C ATOM 977 O ASP A 61 -0.413 -7.000 5.855 1.00 0.00 O ATOM 978 CB ASP A 61 2.043 -5.025 4.677 1.00 0.00 C ATOM 979 CG ASP A 61 1.264 -3.860 5.264 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.024 -3.849 6.490 1.00 0.00 O ATOM 981 OD2 ASP A 61 0.941 -2.888 4.517 1.00 0.00 O ATOM 0 H ASP A 61 3.688 -6.800 4.483 1.00 0.00 H new ATOM 0 HA ASP A 61 1.844 -6.153 6.513 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.100 -4.761 4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.726 -5.174 3.645 1.00 0.00 H new ATOM 986 N LEU A 62 0.524 -7.806 3.969 1.00 0.00 N ATOM 987 CA LEU A 62 -0.671 -8.592 3.569 1.00 0.00 C ATOM 988 C LEU A 62 -0.902 -9.784 4.475 1.00 0.00 C ATOM 989 O LEU A 62 -2.034 -10.067 4.872 1.00 0.00 O ATOM 990 CB LEU A 62 -0.599 -9.122 2.120 1.00 0.00 C ATOM 991 CG LEU A 62 -1.045 -8.211 0.975 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.471 -7.737 1.156 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.123 -7.067 0.796 1.00 0.00 C ATOM 0 H LEU A 62 1.307 -7.874 3.318 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.495 -7.883 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.434 -9.412 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.200 -10.030 2.071 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.011 -8.809 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.749 -7.093 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.139 -8.598 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.553 -7.179 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.473 -6.443 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.093 -6.477 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.877 -7.437 0.570 1.00 0.00 H new ATOM 1005 N ASN A 63 0.160 -10.492 4.800 1.00 0.00 N ATOM 1006 CA ASN A 63 0.037 -11.721 5.591 1.00 0.00 C ATOM 1007 C ASN A 63 -0.423 -11.443 7.018 1.00 0.00 C ATOM 1008 O ASN A 63 -1.072 -12.282 7.649 1.00 0.00 O ATOM 1009 CB ASN A 63 1.329 -12.564 5.566 1.00 0.00 C ATOM 1010 CG ASN A 63 1.691 -13.151 4.189 1.00 0.00 C ATOM 1011 OD1 ASN A 63 0.704 -13.560 3.407 1.00 0.00 O flip ATOM 1012 ND2 ASN A 63 2.873 -13.285 3.855 1.00 0.00 N flip ATOM 0 H ASN A 63 1.115 -10.249 4.536 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.741 -12.316 5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.157 -11.944 5.910 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.226 -13.382 6.278 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.617 -12.963 4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.104 -13.718 2.961 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.138 -10.254 7.507 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.559 -9.862 8.850 1.00 0.00 C ATOM 1021 C ILE A 64 -1.803 -8.957 8.816 1.00 0.00 C ATOM 1022 O ILE A 64 -2.227 -8.416 9.851 1.00 0.00 O ATOM 1023 CB ILE A 64 0.576 -9.168 9.642 1.00 0.00 C ATOM 1024 CG1 ILE A 64 1.043 -7.891 8.931 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.740 -10.134 9.861 1.00 0.00 C ATOM 1026 CD1 ILE A 64 2.153 -7.158 9.641 1.00 0.00 C ATOM 0 H ILE A 64 0.383 -9.538 7.001 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.815 -10.787 9.367 1.00 0.00 H new ATOM 0 HB ILE A 64 0.186 -8.877 10.617 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.378 -8.150 7.927 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.192 -7.219 8.820 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.530 -9.631 10.419 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.393 -11.000 10.424 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.129 -10.460 8.896 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.423 -6.268 9.072 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.817 -6.865 10.636 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.022 -7.810 9.729 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.376 -8.788 7.642 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.559 -7.938 7.473 1.00 0.00 C ATOM 1040 C ASP A 65 -4.814 -8.685 7.915 1.00 0.00 C ATOM 1041 O ASP A 65 -4.893 -9.917 7.790 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.701 -7.479 6.022 1.00 0.00 C ATOM 1043 CG ASP A 65 -4.878 -6.557 5.818 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -4.758 -5.355 6.051 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -5.952 -7.016 5.446 1.00 0.00 O ATOM 0 H ASP A 65 -2.047 -9.226 6.781 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.434 -7.054 8.099 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.788 -6.970 5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.812 -8.351 5.378 1.00 0.00 H new ATOM 1050 N GLY A 66 -5.785 -7.961 8.426 1.00 0.00 N ATOM 1051 CA GLY A 66 -6.968 -8.592 8.932 1.00 0.00 C ATOM 1052 C GLY A 66 -8.185 -8.442 8.035 1.00 0.00 C ATOM 1053 O GLY A 66 -9.263 -8.934 8.371 1.00 0.00 O ATOM 0 H GLY A 66 -5.773 -6.944 8.499 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.766 -9.653 9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.199 -8.174 9.912 1.00 0.00 H new ATOM 1057 N ARG A 67 -8.052 -7.790 6.905 1.00 0.00 N ATOM 1058 CA ARG A 67 -9.207 -7.583 6.038 1.00 0.00 C ATOM 1059 C ARG A 67 -9.026 -8.317 4.722 1.00 0.00 C ATOM 1060 O ARG A 67 -9.987 -8.535 3.982 1.00 0.00 O ATOM 1061 CB ARG A 67 -9.441 -6.092 5.773 1.00 0.00 C ATOM 1062 CG ARG A 67 -9.457 -5.234 7.025 1.00 0.00 C ATOM 1063 CD ARG A 67 -9.706 -3.780 6.700 1.00 0.00 C ATOM 1064 NE ARG A 67 -9.118 -2.893 7.706 1.00 0.00 N ATOM 1065 CZ ARG A 67 -8.865 -1.597 7.506 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -9.455 -0.947 6.513 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -8.075 -0.937 8.327 1.00 0.00 N ATOM 0 H ARG A 67 -7.176 -7.397 6.561 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.081 -7.984 6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.661 -5.726 5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.390 -5.972 5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.231 -5.593 7.703 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.505 -5.333 7.547 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.287 -3.549 5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.779 -3.599 6.638 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.887 -3.290 8.617 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.105 -1.437 5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.259 0.043 6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.652 -1.415 9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.886 0.053 8.168 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.806 -8.653 4.416 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.491 -9.360 3.202 1.00 0.00 C ATOM 1083 C PHE A 68 -7.523 -10.856 3.330 1.00 0.00 C ATOM 1084 O PHE A 68 -7.465 -11.433 4.426 1.00 0.00 O ATOM 1085 CB PHE A 68 -6.141 -8.948 2.623 1.00 0.00 C ATOM 1086 CG PHE A 68 -6.170 -7.791 1.694 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -6.520 -7.985 0.381 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.825 -6.529 2.107 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -6.534 -6.950 -0.506 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.838 -5.479 1.215 1.00 0.00 C ATOM 1091 CZ PHE A 68 -6.193 -5.697 -0.092 1.00 0.00 C ATOM 0 H PHE A 68 -6.997 -8.445 5.001 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.291 -9.069 2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.468 -8.713 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.715 -9.803 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.789 -8.975 0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.542 -6.358 3.135 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.815 -7.122 -1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.569 -4.486 1.544 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.202 -4.876 -0.793 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.615 -11.450 2.180 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.576 -12.848 1.963 1.00 0.00 C ATOM 1103 C LEU A 69 -6.884 -13.060 0.640 1.00 0.00 C ATOM 1104 O LEU A 69 -7.064 -12.247 -0.294 1.00 0.00 O ATOM 1105 CB LEU A 69 -8.990 -13.395 1.831 1.00 0.00 C ATOM 1106 CG LEU A 69 -9.093 -14.878 1.465 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -8.661 -15.766 2.609 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -10.474 -15.218 1.001 1.00 0.00 C ATOM 0 H LEU A 69 -7.727 -10.925 1.312 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.068 -13.345 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.512 -13.235 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.516 -12.815 1.073 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.406 -15.063 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.748 -16.811 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.625 -15.548 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.298 -15.581 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.522 -16.277 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.188 -15.003 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.719 -14.622 0.122 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.089 -14.084 0.536 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.520 -14.409 -0.729 1.00 0.00 C ATOM 1122 C ALA A 70 -6.473 -15.280 -1.482 1.00 0.00 C ATOM 1123 O ALA A 70 -6.711 -16.452 -1.100 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.167 -15.115 -0.622 1.00 0.00 C ATOM 0 H ALA A 70 -5.825 -14.700 1.305 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.344 -13.469 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.791 -15.334 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.460 -14.469 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.285 -16.046 -0.067 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.081 -14.707 -2.496 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.824 -15.474 -3.451 1.00 0.00 C ATOM 1132 C LEU A 71 -6.777 -16.431 -4.036 1.00 0.00 C ATOM 1133 O LEU A 71 -5.615 -16.024 -4.207 1.00 0.00 O ATOM 1134 CB LEU A 71 -8.420 -14.530 -4.524 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.407 -13.464 -4.031 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -9.622 -12.427 -5.103 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.739 -14.077 -3.681 1.00 0.00 C ATOM 0 H LEU A 71 -7.071 -13.703 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.671 -16.015 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.596 -14.024 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.925 -15.141 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.981 -13.004 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.324 -11.674 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.672 -11.951 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.026 -12.905 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.418 -13.298 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.160 -14.560 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.603 -14.817 -2.892 1.00 0.00 H new ATOM 1149 N SER A 72 -7.157 -17.662 -4.303 1.00 0.00 N ATOM 1150 CA SER A 72 -6.223 -18.777 -4.589 1.00 0.00 C ATOM 1151 C SER A 72 -5.084 -18.524 -5.627 1.00 0.00 C ATOM 1152 O SER A 72 -4.122 -19.287 -5.684 1.00 0.00 O ATOM 1153 CB SER A 72 -7.025 -20.020 -4.908 1.00 0.00 C ATOM 1154 OG SER A 72 -7.961 -20.257 -3.854 1.00 0.00 O ATOM 0 H SER A 72 -8.138 -17.941 -4.333 1.00 0.00 H new ATOM 0 HA SER A 72 -5.645 -18.902 -3.673 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.549 -19.896 -5.856 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.361 -20.877 -5.021 1.00 0.00 H new ATOM 0 HG SER A 72 -8.485 -21.060 -4.056 1.00 0.00 H new ATOM 1160 N ASP A 73 -5.169 -17.474 -6.409 1.00 0.00 N ATOM 1161 CA ASP A 73 -4.104 -17.155 -7.369 1.00 0.00 C ATOM 1162 C ASP A 73 -3.147 -16.096 -6.858 1.00 0.00 C ATOM 1163 O ASP A 73 -2.397 -15.511 -7.638 1.00 0.00 O ATOM 1164 CB ASP A 73 -4.654 -16.746 -8.734 1.00 0.00 C ATOM 1165 CG ASP A 73 -5.210 -17.894 -9.520 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -4.410 -18.691 -10.051 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -6.467 -18.008 -9.631 1.00 0.00 O ATOM 0 H ASP A 73 -5.953 -16.822 -6.411 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.543 -18.082 -7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.435 -15.999 -8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.860 -16.272 -9.310 1.00 0.00 H new ATOM 1172 N GLN A 74 -3.161 -15.861 -5.539 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.307 -14.840 -4.866 1.00 0.00 C ATOM 1174 C GLN A 74 -2.807 -13.468 -5.230 1.00 0.00 C ATOM 1175 O GLN A 74 -2.137 -12.452 -5.077 1.00 0.00 O ATOM 1176 CB GLN A 74 -0.792 -14.994 -5.167 1.00 0.00 C ATOM 1177 CG GLN A 74 -0.094 -16.200 -4.514 1.00 0.00 C ATOM 1178 CD GLN A 74 -0.740 -17.524 -4.854 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -0.405 -18.157 -5.857 1.00 0.00 O ATOM 1180 NE2 GLN A 74 -1.631 -17.973 -4.009 1.00 0.00 N ATOM 0 H GLN A 74 -3.765 -16.371 -4.894 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.393 -14.995 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.662 -15.065 -6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.283 -14.086 -4.843 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.949 -16.221 -4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.097 -16.070 -3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.882 -17.419 -3.190 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.075 -18.877 -4.169 1.00 0.00 H new ATOM 1189 N THR A 75 -4.007 -13.479 -5.690 1.00 0.00 N ATOM 1190 CA THR A 75 -4.732 -12.322 -6.005 1.00 0.00 C ATOM 1191 C THR A 75 -5.357 -11.880 -4.699 1.00 0.00 C ATOM 1192 O THR A 75 -5.970 -12.682 -4.008 1.00 0.00 O ATOM 1193 CB THR A 75 -5.796 -12.699 -7.054 1.00 0.00 C ATOM 1194 OG1 THR A 75 -5.126 -13.260 -8.202 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.620 -11.504 -7.483 1.00 0.00 C ATOM 0 H THR A 75 -4.525 -14.341 -5.861 1.00 0.00 H new ATOM 0 HA THR A 75 -4.127 -11.518 -6.425 1.00 0.00 H new ATOM 0 HB THR A 75 -6.479 -13.421 -6.608 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.790 -13.507 -8.879 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.357 -11.817 -8.223 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.131 -11.085 -6.616 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.966 -10.749 -7.919 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.182 -10.665 -4.332 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.628 -10.262 -3.042 1.00 0.00 C ATOM 1205 C TRP A 76 -6.989 -9.651 -3.104 1.00 0.00 C ATOM 1206 O TRP A 76 -7.301 -8.875 -4.005 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.604 -9.358 -2.359 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.337 -10.084 -1.993 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.199 -10.189 -2.736 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.095 -10.817 -0.786 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.261 -10.938 -2.061 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -1.787 -11.333 -0.859 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.858 -11.079 0.351 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.230 -12.101 0.169 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.308 -11.836 1.362 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -2.005 -12.336 1.266 1.00 0.00 C ATOM 0 H TRP A 76 -4.740 -9.937 -4.894 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.718 -11.153 -2.421 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.362 -8.526 -3.020 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.046 -8.932 -1.459 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.054 -9.749 -3.712 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.326 -11.162 -2.401 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.864 -10.695 0.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.226 -12.492 0.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.893 -12.047 2.245 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.604 -12.922 2.080 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.814 -10.049 -2.183 1.00 0.00 N ATOM 1228 CA GLY A 77 -9.135 -9.564 -2.138 1.00 0.00 C ATOM 1229 C GLY A 77 -9.587 -9.355 -0.737 1.00 0.00 C ATOM 1230 O GLY A 77 -8.947 -9.828 0.210 1.00 0.00 O ATOM 0 H GLY A 77 -7.579 -10.718 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.198 -8.624 -2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.801 -10.269 -2.636 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.677 -8.685 -0.595 1.00 0.00 N ATOM 1235 CA LEU A 78 -11.184 -8.327 0.692 1.00 0.00 C ATOM 1236 C LEU A 78 -12.182 -9.324 1.197 1.00 0.00 C ATOM 1237 O LEU A 78 -13.083 -9.773 0.473 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.761 -6.919 0.687 1.00 0.00 C ATOM 1239 CG LEU A 78 -10.755 -5.803 0.415 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -11.447 -4.461 0.394 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.651 -5.816 1.463 1.00 0.00 C ATOM 0 H LEU A 78 -11.251 -8.365 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.342 -8.338 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.547 -6.869 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.232 -6.734 1.652 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.305 -5.974 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.715 -3.677 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.204 -4.454 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.922 -4.282 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.942 -5.015 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.086 -5.668 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.133 -6.775 1.434 1.00 0.00 H new ATOM 1253 N ARG A 79 -12.009 -9.659 2.438 1.00 0.00 N ATOM 1254 CA ARG A 79 -12.828 -10.606 3.147 1.00 0.00 C ATOM 1255 C ARG A 79 -14.266 -10.172 3.318 1.00 0.00 C ATOM 1256 O ARG A 79 -15.160 -11.010 3.467 1.00 0.00 O ATOM 1257 CB ARG A 79 -12.215 -10.899 4.477 1.00 0.00 C ATOM 1258 CG ARG A 79 -10.997 -11.759 4.412 1.00 0.00 C ATOM 1259 CD ARG A 79 -10.450 -11.987 5.783 1.00 0.00 C ATOM 1260 NE ARG A 79 -11.485 -12.384 6.752 1.00 0.00 N ATOM 1261 CZ ARG A 79 -11.431 -12.161 8.075 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -10.343 -11.609 8.634 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -12.467 -12.487 8.831 1.00 0.00 N ATOM 0 H ARG A 79 -11.263 -9.266 3.013 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.862 -11.506 2.533 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.956 -9.957 4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.958 -11.387 5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.242 -12.714 3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.241 -11.285 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.684 -12.761 5.739 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.963 -11.076 6.131 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.308 -12.866 6.390 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.545 -11.354 8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.314 -11.445 9.640 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.296 -12.903 8.408 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.436 -12.322 9.837 1.00 0.00 H new ATOM 1277 N SER A 80 -14.500 -8.892 3.268 1.00 0.00 N ATOM 1278 CA SER A 80 -15.817 -8.359 3.443 1.00 0.00 C ATOM 1279 C SER A 80 -16.684 -8.570 2.193 1.00 0.00 C ATOM 1280 O SER A 80 -17.910 -8.420 2.238 1.00 0.00 O ATOM 1281 CB SER A 80 -15.696 -6.885 3.809 1.00 0.00 C ATOM 1282 OG SER A 80 -14.782 -6.228 2.931 1.00 0.00 O ATOM 0 H SER A 80 -13.780 -8.188 3.104 1.00 0.00 H new ATOM 0 HA SER A 80 -16.321 -8.890 4.250 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.674 -6.408 3.750 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.355 -6.786 4.840 1.00 0.00 H new ATOM 0 HG SER A 80 -14.715 -5.282 3.177 1.00 0.00 H new ATOM 1288 N TRP A 81 -16.052 -8.952 1.094 1.00 0.00 N ATOM 1289 CA TRP A 81 -16.753 -9.135 -0.157 1.00 0.00 C ATOM 1290 C TRP A 81 -17.542 -10.412 -0.215 1.00 0.00 C ATOM 1291 O TRP A 81 -18.723 -10.401 -0.560 1.00 0.00 O ATOM 1292 CB TRP A 81 -15.812 -9.175 -1.336 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.132 -7.919 -1.694 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -15.543 -6.634 -1.454 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -13.939 -7.835 -2.447 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.653 -5.753 -2.005 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.659 -6.471 -2.631 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.063 -8.803 -2.988 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.553 -6.043 -3.332 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -11.966 -8.363 -3.683 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.721 -7.000 -3.854 1.00 0.00 C ATOM 0 H TRP A 81 -15.051 -9.141 1.048 1.00 0.00 H new ATOM 0 HA TRP A 81 -17.421 -8.276 -0.209 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.049 -9.927 -1.135 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -16.374 -9.515 -2.206 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.435 -6.358 -0.912 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.715 -4.736 -1.960 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.252 -9.858 -2.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.348 -4.991 -3.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.280 -9.083 -4.105 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -10.851 -6.690 -4.414 1.00 0.00 H new ATOM 1312 N TYR A 82 -16.919 -11.516 0.103 1.00 0.00 N ATOM 1313 CA TYR A 82 -17.553 -12.768 -0.205 1.00 0.00 C ATOM 1314 C TYR A 82 -17.922 -13.502 1.067 1.00 0.00 C ATOM 1315 O TYR A 82 -17.221 -13.371 2.075 1.00 0.00 O ATOM 1316 CB TYR A 82 -16.624 -13.660 -1.024 1.00 0.00 C ATOM 1317 CG TYR A 82 -15.845 -13.012 -2.167 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -16.374 -12.899 -3.437 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -14.543 -12.575 -1.968 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -15.628 -12.372 -4.476 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -13.802 -12.046 -2.980 1.00 0.00 C ATOM 1322 CZ TYR A 82 -14.340 -11.949 -4.240 1.00 0.00 C ATOM 1323 OH TYR A 82 -13.590 -11.432 -5.270 1.00 0.00 O ATOM 0 H TYR A 82 -16.008 -11.576 0.558 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.451 -12.548 -0.782 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -15.904 -14.112 -0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.220 -14.471 -1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -17.386 -13.227 -3.622 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.106 -12.657 -0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.054 -12.293 -5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.795 -11.704 -2.793 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.211 -10.570 -4.998 1.00 0.00 H new TER 1333 TYR A 82