USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 549 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 Single : A 21 LYS NZ :NH3+ -135:sc= 0.29! (180deg=-2.75!) USER MOD Single : A 22 THR OG1 : rot 8:sc= 0.691 USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -1.71! (180deg=-2.49!) USER MOD Single : A 31 SER OG : rot 120:sc= 0.854 USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= 1.4 (180deg=0.247) USER MOD Single : A 37 LYS NZ :NH3+ -122:sc= 2.4 (180deg=-0.114) USER MOD Single : A 41 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.8) USER MOD Single : A 43 LYS NZ :NH3+ -112:sc= 1.65 (180deg=-2.26!) USER MOD Single : A 47 GLN : amide:sc= 1.07 K(o=1.1,f=-0.034) USER MOD Single : A 55 THR OG1 : rot 102:sc= 0.811 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A 59 MET CE :methyl 161:sc= -0.108 (180deg=-0.554) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.432 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.697 K(o=-0.7,f=-4.7!) USER MOD Single : A 78 GLN : amide:sc= 0.797 K(o=0.8,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 CA LEU A 20 -8.174 -33.990 7.676 1.00 0.00 C ATOM 2 C LEU A 20 -8.737 -32.790 6.879 1.00 0.00 C ATOM 3 O LEU A 20 -8.879 -32.828 5.670 1.00 0.00 O ATOM 4 CB LEU A 20 -9.246 -34.822 8.454 1.00 0.00 C ATOM 5 CG LEU A 20 -10.184 -35.714 7.583 1.00 0.00 C ATOM 6 CD1 LEU A 20 -11.286 -34.895 6.908 1.00 0.00 C ATOM 7 CD2 LEU A 20 -9.393 -36.403 6.459 1.00 0.00 C ATOM 0 HB2 LEU A 20 -8.731 -35.462 9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.864 -34.133 9.030 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.622 -36.444 8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.916 -35.555 6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.893 -34.404 7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.835 -34.142 6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.067 -37.020 5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.935 -35.648 5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.615 -37.031 6.894 1.00 0.00 H new ATOM 19 N LYS A 21 -9.033 -31.750 7.609 1.00 0.00 N ATOM 20 CA LYS A 21 -9.559 -30.465 7.042 1.00 0.00 C ATOM 21 C LYS A 21 -8.391 -29.489 6.929 1.00 0.00 C ATOM 22 O LYS A 21 -7.497 -29.460 7.749 1.00 0.00 O ATOM 23 CB LYS A 21 -10.615 -29.972 8.013 1.00 0.00 C ATOM 24 CG LYS A 21 -11.851 -30.900 7.947 1.00 0.00 C ATOM 25 CD LYS A 21 -12.815 -30.657 9.143 1.00 0.00 C ATOM 26 CE LYS A 21 -13.278 -29.193 9.235 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.278 -28.399 9.991 1.00 0.00 N ATOM 0 H LYS A 21 -8.928 -31.735 8.623 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.999 -30.578 6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.213 -29.956 9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.901 -28.949 7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.383 -30.732 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.526 -31.940 7.947 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.686 -31.305 9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.316 -30.936 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.405 -28.778 8.235 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.248 -29.139 9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.766 -27.788 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.635 -29.041 10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.731 -27.810 9.331 1.00 0.00 H new ATOM 41 N THR A 22 -8.403 -28.686 5.910 1.00 0.00 N ATOM 42 CA THR A 22 -7.288 -27.680 5.782 1.00 0.00 C ATOM 43 C THR A 22 -7.812 -26.306 6.099 1.00 0.00 C ATOM 44 O THR A 22 -7.122 -25.320 5.940 1.00 0.00 O ATOM 45 CB THR A 22 -6.712 -27.675 4.366 1.00 0.00 C ATOM 46 OG1 THR A 22 -7.778 -27.532 3.440 1.00 0.00 O ATOM 47 CG2 THR A 22 -6.145 -29.046 4.059 1.00 0.00 C ATOM 0 H THR A 22 -9.108 -28.670 5.173 1.00 0.00 H new ATOM 0 HA THR A 22 -6.499 -27.956 6.481 1.00 0.00 H new ATOM 0 HB THR A 22 -5.970 -26.880 4.296 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.609 -27.345 3.924 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.732 -29.051 3.050 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.358 -29.283 4.775 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.937 -29.792 4.131 1.00 0.00 H new ATOM 55 N GLU A 23 -9.036 -26.324 6.548 1.00 0.00 N ATOM 56 CA GLU A 23 -9.779 -25.087 6.951 1.00 0.00 C ATOM 57 C GLU A 23 -10.678 -25.325 8.186 1.00 0.00 C ATOM 58 O GLU A 23 -11.158 -26.419 8.419 1.00 0.00 O ATOM 59 CB GLU A 23 -10.600 -24.649 5.710 1.00 0.00 C ATOM 60 CG GLU A 23 -11.765 -25.678 5.382 1.00 0.00 C ATOM 61 CD GLU A 23 -11.277 -27.135 5.309 1.00 0.00 C ATOM 62 OE1 GLU A 23 -10.387 -27.416 4.525 1.00 0.00 O ATOM 63 OE2 GLU A 23 -11.818 -27.918 6.059 1.00 0.00 O ATOM 0 H GLU A 23 -9.578 -27.181 6.658 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.087 -24.302 7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.026 -23.661 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.938 -24.562 4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.539 -25.598 6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.225 -25.407 4.432 1.00 0.00 H new ATOM 70 N TRP A 24 -10.895 -24.296 8.968 1.00 0.00 N ATOM 71 CA TRP A 24 -11.791 -24.444 10.165 1.00 0.00 C ATOM 72 C TRP A 24 -12.858 -23.367 10.366 1.00 0.00 C ATOM 73 O TRP A 24 -12.700 -22.456 11.156 1.00 0.00 O ATOM 74 CB TRP A 24 -10.884 -24.548 11.414 1.00 0.00 C ATOM 75 CG TRP A 24 -10.219 -25.881 11.442 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.782 -26.813 12.199 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.122 -26.348 10.843 1.00 0.00 C ATOM 78 NE1 TRP A 24 -9.989 -27.842 12.031 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.943 -27.658 11.223 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.240 -25.746 9.981 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.862 -28.361 10.737 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.165 -26.445 9.496 1.00 0.00 C ATOM 83 CH2 TRP A 24 -6.964 -27.754 9.867 1.00 0.00 C ATOM 0 H TRP A 24 -10.496 -23.367 8.834 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.383 -25.342 9.991 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.134 -23.757 11.398 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.476 -24.407 12.318 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.674 -26.741 12.804 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -10.162 -28.735 12.493 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.393 -24.719 9.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.712 -29.389 11.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.473 -25.966 8.820 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.117 -28.305 9.486 1.00 0.00 H new ATOM 94 N PRO A 25 -13.934 -23.480 9.633 1.00 0.00 N ATOM 95 CA PRO A 25 -15.056 -22.523 9.777 1.00 0.00 C ATOM 96 C PRO A 25 -15.885 -22.863 11.044 1.00 0.00 C ATOM 97 O PRO A 25 -16.438 -21.991 11.681 1.00 0.00 O ATOM 98 CB PRO A 25 -15.752 -22.694 8.434 1.00 0.00 C ATOM 99 CG PRO A 25 -15.651 -24.210 8.192 1.00 0.00 C ATOM 100 CD PRO A 25 -14.191 -24.510 8.577 1.00 0.00 C ATOM 0 HA PRO A 25 -14.805 -21.477 9.951 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.788 -22.358 8.469 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.258 -22.124 7.647 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.356 -24.768 8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.859 -24.470 7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.069 -25.524 8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.515 -24.404 7.729 1.00 0.00 H new ATOM 108 N GLU A 26 -15.940 -24.122 11.399 1.00 0.00 N ATOM 109 CA GLU A 26 -16.729 -24.586 12.601 1.00 0.00 C ATOM 110 C GLU A 26 -16.398 -23.807 13.891 1.00 0.00 C ATOM 111 O GLU A 26 -17.149 -23.776 14.846 1.00 0.00 O ATOM 112 CB GLU A 26 -16.447 -26.085 12.817 1.00 0.00 C ATOM 113 CG GLU A 26 -14.922 -26.297 13.170 1.00 0.00 C ATOM 114 CD GLU A 26 -14.189 -27.064 12.092 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.209 -26.571 10.983 1.00 0.00 O ATOM 116 OE2 GLU A 26 -13.623 -28.097 12.395 1.00 0.00 O ATOM 0 H GLU A 26 -15.462 -24.872 10.899 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.783 -24.401 12.394 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.073 -26.470 13.622 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.703 -26.646 11.918 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.445 -25.327 13.312 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.840 -26.834 14.115 1.00 0.00 H new ATOM 123 N LEU A 27 -15.244 -23.204 13.866 1.00 0.00 N ATOM 124 CA LEU A 27 -14.735 -22.407 15.005 1.00 0.00 C ATOM 125 C LEU A 27 -14.729 -20.866 14.787 1.00 0.00 C ATOM 126 O LEU A 27 -14.097 -20.127 15.520 1.00 0.00 O ATOM 127 CB LEU A 27 -13.354 -23.088 15.247 1.00 0.00 C ATOM 128 CG LEU A 27 -12.300 -23.066 14.155 1.00 0.00 C ATOM 129 CD1 LEU A 27 -11.722 -21.694 13.911 1.00 0.00 C ATOM 130 CD2 LEU A 27 -11.180 -23.988 14.664 1.00 0.00 C ATOM 0 H LEU A 27 -14.611 -23.236 13.067 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.374 -22.424 15.888 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.915 -22.627 16.132 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.545 -24.132 15.493 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.744 -23.380 13.210 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.975 -21.749 13.119 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.518 -21.012 13.612 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.255 -21.328 14.825 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.377 -24.026 13.928 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.791 -23.602 15.606 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.577 -24.991 14.819 1.00 0.00 H new ATOM 142 N VAL A 28 -15.457 -20.426 13.795 1.00 0.00 N ATOM 143 CA VAL A 28 -15.565 -18.955 13.475 1.00 0.00 C ATOM 144 C VAL A 28 -16.380 -18.187 14.539 1.00 0.00 C ATOM 145 O VAL A 28 -17.208 -18.733 15.244 1.00 0.00 O ATOM 146 CB VAL A 28 -16.221 -18.861 12.077 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.783 -17.455 11.765 1.00 0.00 C ATOM 148 CG2 VAL A 28 -15.150 -19.105 11.022 1.00 0.00 C ATOM 0 H VAL A 28 -15.996 -21.031 13.175 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.580 -18.489 13.478 1.00 0.00 H new ATOM 0 HB VAL A 28 -17.031 -19.591 12.067 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -17.230 -17.454 10.771 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.541 -17.194 12.504 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.975 -16.724 11.800 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.596 -19.042 10.029 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.368 -18.352 11.117 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.719 -20.096 11.164 1.00 0.00 H new ATOM 158 N GLY A 29 -16.120 -16.903 14.623 1.00 0.00 N ATOM 159 CA GLY A 29 -16.842 -16.053 15.644 1.00 0.00 C ATOM 160 C GLY A 29 -16.410 -16.425 17.073 1.00 0.00 C ATOM 161 O GLY A 29 -17.072 -16.123 18.044 1.00 0.00 O ATOM 0 H GLY A 29 -15.448 -16.405 14.039 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.633 -14.999 15.459 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.919 -16.187 15.539 1.00 0.00 H new ATOM 165 N LYS A 30 -15.292 -17.089 17.145 1.00 0.00 N ATOM 166 CA LYS A 30 -14.684 -17.552 18.442 1.00 0.00 C ATOM 167 C LYS A 30 -13.233 -17.122 18.525 1.00 0.00 C ATOM 168 O LYS A 30 -12.721 -16.725 17.502 1.00 0.00 O ATOM 169 CB LYS A 30 -14.739 -19.064 18.503 1.00 0.00 C ATOM 170 CG LYS A 30 -16.197 -19.588 18.318 1.00 0.00 C ATOM 171 CD LYS A 30 -17.202 -18.943 19.317 1.00 0.00 C ATOM 172 CE LYS A 30 -17.504 -19.845 20.496 1.00 0.00 C ATOM 173 NZ LYS A 30 -16.227 -20.302 21.098 1.00 0.00 N ATOM 0 H LYS A 30 -14.744 -17.345 16.324 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.242 -17.113 19.269 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.098 -19.485 17.728 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.347 -19.406 19.461 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.524 -19.385 17.298 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.208 -20.670 18.447 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.794 -18.000 19.680 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -18.130 -18.709 18.795 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.098 -19.310 21.236 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.095 -20.702 20.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.413 -20.718 22.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.789 -21.016 20.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.583 -19.492 21.202 1.00 0.00 H new ATOM 187 N SER A 31 -12.588 -17.205 19.665 1.00 0.00 N ATOM 188 CA SER A 31 -11.155 -16.763 19.658 1.00 0.00 C ATOM 189 C SER A 31 -10.168 -17.817 19.373 1.00 0.00 C ATOM 190 O SER A 31 -10.329 -19.028 19.360 1.00 0.00 O ATOM 191 CB SER A 31 -10.802 -16.058 20.994 1.00 0.00 C ATOM 192 OG SER A 31 -9.705 -16.707 21.643 1.00 0.00 O ATOM 0 H SER A 31 -12.963 -17.539 20.553 1.00 0.00 H new ATOM 0 HA SER A 31 -11.083 -16.070 18.820 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.550 -15.015 20.803 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.671 -16.061 21.652 1.00 0.00 H new ATOM 0 HG SER A 31 -8.966 -16.072 21.749 1.00 0.00 H new ATOM 198 N VAL A 32 -9.093 -17.154 19.130 1.00 0.00 N ATOM 199 CA VAL A 32 -7.879 -17.780 18.684 1.00 0.00 C ATOM 200 C VAL A 32 -7.373 -18.916 19.555 1.00 0.00 C ATOM 201 O VAL A 32 -6.728 -19.816 19.057 1.00 0.00 O ATOM 202 CB VAL A 32 -6.928 -16.572 18.535 1.00 0.00 C ATOM 203 CG1 VAL A 32 -6.267 -16.243 19.885 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.813 -16.772 17.519 1.00 0.00 C ATOM 0 H VAL A 32 -9.022 -16.142 19.235 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.002 -18.335 17.754 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.562 -15.760 18.180 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.599 -15.390 19.765 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.037 -16.001 20.618 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.696 -17.105 20.230 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.193 -15.876 17.478 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.201 -17.624 17.814 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.246 -16.959 16.536 1.00 0.00 H new ATOM 214 N GLU A 33 -7.631 -18.910 20.830 1.00 0.00 N ATOM 215 CA GLU A 33 -7.154 -20.055 21.671 1.00 0.00 C ATOM 216 C GLU A 33 -8.107 -21.242 21.612 1.00 0.00 C ATOM 217 O GLU A 33 -7.665 -22.379 21.599 1.00 0.00 O ATOM 218 CB GLU A 33 -6.940 -19.497 23.109 1.00 0.00 C ATOM 219 CG GLU A 33 -5.476 -18.883 23.185 1.00 0.00 C ATOM 220 CD GLU A 33 -4.378 -19.905 22.815 1.00 0.00 C ATOM 221 OE1 GLU A 33 -4.463 -21.009 23.323 1.00 0.00 O ATOM 222 OE2 GLU A 33 -3.517 -19.535 22.038 1.00 0.00 O ATOM 0 H GLU A 33 -8.142 -18.179 21.326 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.213 -20.455 21.294 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.685 -18.735 23.337 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.059 -20.290 23.847 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.411 -18.027 22.513 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.295 -18.511 24.193 1.00 0.00 H new ATOM 229 N GLU A 34 -9.374 -20.962 21.572 1.00 0.00 N ATOM 230 CA GLU A 34 -10.413 -22.037 21.423 1.00 0.00 C ATOM 231 C GLU A 34 -10.136 -22.735 20.074 1.00 0.00 C ATOM 232 O GLU A 34 -10.092 -23.952 19.973 1.00 0.00 O ATOM 233 CB GLU A 34 -11.830 -21.445 21.362 1.00 0.00 C ATOM 234 CG GLU A 34 -12.408 -20.947 22.724 1.00 0.00 C ATOM 235 CD GLU A 34 -13.820 -20.432 22.454 1.00 0.00 C ATOM 236 OE1 GLU A 34 -13.945 -19.426 21.761 1.00 0.00 O ATOM 237 OE2 GLU A 34 -14.733 -21.078 22.943 1.00 0.00 O ATOM 0 H GLU A 34 -9.751 -20.017 21.637 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.360 -22.715 22.275 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.827 -20.610 20.661 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.503 -22.200 20.955 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.427 -21.757 23.453 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.784 -20.157 23.141 1.00 0.00 H new ATOM 244 N ALA A 35 -9.955 -21.925 19.049 1.00 0.00 N ATOM 245 CA ALA A 35 -9.691 -22.541 17.718 1.00 0.00 C ATOM 246 C ALA A 35 -8.628 -23.645 17.770 1.00 0.00 C ATOM 247 O ALA A 35 -8.826 -24.749 17.312 1.00 0.00 O ATOM 248 CB ALA A 35 -9.242 -21.455 16.774 1.00 0.00 C ATOM 0 H ALA A 35 -9.978 -20.906 19.079 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.614 -23.010 17.377 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.043 -21.885 15.792 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.025 -20.701 16.688 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.333 -20.992 17.158 1.00 0.00 H new ATOM 254 N LYS A 36 -7.516 -23.298 18.372 1.00 0.00 N ATOM 255 CA LYS A 36 -6.358 -24.222 18.453 1.00 0.00 C ATOM 256 C LYS A 36 -6.857 -25.532 18.985 1.00 0.00 C ATOM 257 O LYS A 36 -6.655 -26.580 18.417 1.00 0.00 O ATOM 258 CB LYS A 36 -5.296 -23.607 19.379 1.00 0.00 C ATOM 259 CG LYS A 36 -4.668 -22.368 18.735 1.00 0.00 C ATOM 260 CD LYS A 36 -3.600 -21.882 19.737 1.00 0.00 C ATOM 261 CE LYS A 36 -2.989 -20.530 19.396 1.00 0.00 C ATOM 262 NZ LYS A 36 -4.065 -19.492 19.466 1.00 0.00 N ATOM 0 H LYS A 36 -7.367 -22.393 18.818 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.901 -24.383 17.477 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.750 -23.337 20.332 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.522 -24.344 19.592 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.221 -22.610 17.771 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.417 -21.597 18.554 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.049 -21.825 20.729 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.804 -22.624 19.790 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.186 -20.291 20.093 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.549 -20.553 18.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.788 -18.666 18.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.952 -19.886 19.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.203 -19.202 20.455 1.00 0.00 H new ATOM 276 N LYS A 37 -7.541 -25.385 20.077 1.00 0.00 N ATOM 277 CA LYS A 37 -8.086 -26.560 20.772 1.00 0.00 C ATOM 278 C LYS A 37 -8.907 -27.390 19.775 1.00 0.00 C ATOM 279 O LYS A 37 -8.748 -28.589 19.701 1.00 0.00 O ATOM 280 CB LYS A 37 -8.919 -26.056 21.969 1.00 0.00 C ATOM 281 CG LYS A 37 -8.039 -25.485 23.163 1.00 0.00 C ATOM 282 CD LYS A 37 -6.565 -25.073 22.755 1.00 0.00 C ATOM 283 CE LYS A 37 -5.814 -24.361 23.886 1.00 0.00 C ATOM 284 NZ LYS A 37 -6.345 -22.969 23.963 1.00 0.00 N ATOM 0 H LYS A 37 -7.745 -24.488 20.518 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.302 -27.212 21.158 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.599 -25.276 21.625 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.535 -26.874 22.342 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.542 -24.615 23.584 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.988 -26.236 23.951 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.011 -25.965 22.462 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.603 -24.420 21.883 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.961 -24.881 24.832 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.742 -24.353 23.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.566 -22.293 23.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.056 -22.827 23.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.784 -22.816 24.893 1.00 0.00 H new ATOM 298 N VAL A 38 -9.756 -26.729 19.035 1.00 0.00 N ATOM 299 CA VAL A 38 -10.580 -27.430 17.979 1.00 0.00 C ATOM 300 C VAL A 38 -9.711 -28.114 16.945 1.00 0.00 C ATOM 301 O VAL A 38 -9.768 -29.297 16.701 1.00 0.00 O ATOM 302 CB VAL A 38 -11.466 -26.449 17.161 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.233 -27.214 16.030 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.444 -25.635 17.982 1.00 0.00 C ATOM 0 H VAL A 38 -9.923 -25.725 19.109 1.00 0.00 H new ATOM 0 HA VAL A 38 -11.186 -28.140 18.543 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.767 -25.730 16.733 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.848 -26.511 15.468 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.515 -27.686 15.359 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.870 -27.978 16.475 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.016 -24.981 17.324 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.124 -26.305 18.508 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.897 -25.032 18.706 1.00 0.00 H new ATOM 314 N ILE A 39 -8.908 -27.292 16.359 1.00 0.00 N ATOM 315 CA ILE A 39 -8.037 -27.673 15.229 1.00 0.00 C ATOM 316 C ILE A 39 -7.169 -28.854 15.583 1.00 0.00 C ATOM 317 O ILE A 39 -7.023 -29.795 14.837 1.00 0.00 O ATOM 318 CB ILE A 39 -7.240 -26.425 14.880 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.244 -25.368 14.385 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.381 -26.763 13.714 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.531 -24.183 13.750 1.00 0.00 C ATOM 0 H ILE A 39 -8.815 -26.314 16.634 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.610 -28.005 14.363 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.658 -26.074 15.732 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.922 -25.819 13.660 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.854 -25.023 15.220 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.791 -25.891 13.432 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.713 -27.582 13.980 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.008 -27.064 12.875 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.267 -23.454 13.411 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.873 -23.719 14.484 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.942 -24.526 12.900 1.00 0.00 H new ATOM 333 N LEU A 40 -6.583 -28.786 16.725 1.00 0.00 N ATOM 334 CA LEU A 40 -5.775 -29.914 17.198 1.00 0.00 C ATOM 335 C LEU A 40 -6.684 -31.162 17.221 1.00 0.00 C ATOM 336 O LEU A 40 -6.181 -32.237 16.967 1.00 0.00 O ATOM 337 CB LEU A 40 -5.246 -29.444 18.552 1.00 0.00 C ATOM 338 CG LEU A 40 -4.309 -28.230 18.312 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.864 -27.665 19.660 1.00 0.00 C ATOM 340 CD2 LEU A 40 -3.042 -28.647 17.563 1.00 0.00 C ATOM 0 H LEU A 40 -6.630 -27.988 17.358 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.925 -30.202 16.579 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.072 -29.163 19.206 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.705 -30.249 19.049 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.862 -27.496 17.726 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.205 -26.812 19.497 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.738 -27.346 20.227 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.330 -28.434 20.219 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.406 -27.775 17.410 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.502 -29.392 18.148 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.314 -29.072 16.597 1.00 0.00 H new ATOM 352 N GLN A 41 -7.964 -31.023 17.510 1.00 0.00 N ATOM 353 CA GLN A 41 -8.860 -32.250 17.489 1.00 0.00 C ATOM 354 C GLN A 41 -8.969 -32.856 16.047 1.00 0.00 C ATOM 355 O GLN A 41 -9.326 -34.005 15.859 1.00 0.00 O ATOM 356 CB GLN A 41 -10.289 -31.854 18.019 1.00 0.00 C ATOM 357 CG GLN A 41 -10.208 -31.312 19.488 1.00 0.00 C ATOM 358 CD GLN A 41 -11.444 -30.484 19.908 1.00 0.00 C ATOM 359 OE1 GLN A 41 -12.578 -30.863 19.722 1.00 0.00 O ATOM 360 NE2 GLN A 41 -11.295 -29.335 20.497 1.00 0.00 N ATOM 0 H GLN A 41 -8.422 -30.145 17.753 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.421 -33.012 18.134 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.725 -31.094 17.370 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.948 -32.721 17.982 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.095 -32.153 20.172 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.315 -30.695 19.591 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.359 -28.972 20.677 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.114 -28.797 20.780 1.00 0.00 H new ATOM 369 N ASP A 42 -8.646 -32.041 15.077 1.00 0.00 N ATOM 370 CA ASP A 42 -8.677 -32.382 13.604 1.00 0.00 C ATOM 371 C ASP A 42 -7.266 -32.816 13.117 1.00 0.00 C ATOM 372 O ASP A 42 -7.056 -33.912 12.635 1.00 0.00 O ATOM 373 CB ASP A 42 -9.227 -31.079 12.947 1.00 0.00 C ATOM 374 CG ASP A 42 -9.488 -31.051 11.424 1.00 0.00 C ATOM 375 OD1 ASP A 42 -8.881 -31.718 10.596 1.00 0.00 O ATOM 376 OD2 ASP A 42 -10.368 -30.241 11.174 1.00 0.00 O ATOM 0 H ASP A 42 -8.340 -31.084 15.253 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.304 -33.234 13.343 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.165 -30.832 13.445 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.525 -30.277 13.174 1.00 0.00 H new ATOM 381 N LYS A 43 -6.333 -31.926 13.288 1.00 0.00 N ATOM 382 CA LYS A 43 -4.911 -32.157 12.874 1.00 0.00 C ATOM 383 C LYS A 43 -3.981 -32.006 14.116 1.00 0.00 C ATOM 384 O LYS A 43 -3.192 -31.085 14.202 1.00 0.00 O ATOM 385 CB LYS A 43 -4.609 -31.124 11.750 1.00 0.00 C ATOM 386 CG LYS A 43 -3.219 -31.419 11.133 1.00 0.00 C ATOM 387 CD LYS A 43 -2.951 -30.506 9.906 1.00 0.00 C ATOM 388 CE LYS A 43 -2.251 -29.198 10.307 1.00 0.00 C ATOM 389 NZ LYS A 43 -0.809 -29.484 10.578 1.00 0.00 N ATOM 0 H LYS A 43 -6.498 -31.013 13.712 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.737 -33.162 12.489 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.378 -31.175 10.979 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.631 -30.113 12.156 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.444 -31.263 11.883 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.165 -32.465 10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.335 -31.041 9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.895 -30.276 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.346 -28.460 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.724 -28.773 11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.615 -29.359 11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.591 -30.463 10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.216 -28.830 10.028 1.00 0.00 H new ATOM 403 N PRO A 44 -4.098 -32.927 15.050 1.00 0.00 N ATOM 404 CA PRO A 44 -3.319 -32.962 16.325 1.00 0.00 C ATOM 405 C PRO A 44 -1.989 -32.199 16.442 1.00 0.00 C ATOM 406 O PRO A 44 -1.784 -31.532 17.434 1.00 0.00 O ATOM 407 CB PRO A 44 -3.213 -34.467 16.570 1.00 0.00 C ATOM 408 CG PRO A 44 -4.644 -34.922 16.236 1.00 0.00 C ATOM 409 CD PRO A 44 -5.023 -34.102 14.976 1.00 0.00 C ATOM 0 HA PRO A 44 -3.833 -32.383 17.092 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.470 -34.938 15.926 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.936 -34.699 17.599 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.685 -35.994 16.040 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.328 -34.722 17.061 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.875 -34.676 14.061 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.069 -33.795 14.994 1.00 0.00 H new ATOM 417 N GLU A 45 -1.115 -32.286 15.479 1.00 0.00 N ATOM 418 CA GLU A 45 0.182 -31.563 15.554 1.00 0.00 C ATOM 419 C GLU A 45 0.169 -30.061 15.166 1.00 0.00 C ATOM 420 O GLU A 45 1.177 -29.391 15.305 1.00 0.00 O ATOM 421 CB GLU A 45 1.133 -32.426 14.679 1.00 0.00 C ATOM 422 CG GLU A 45 0.615 -32.840 13.241 1.00 0.00 C ATOM 423 CD GLU A 45 0.223 -31.726 12.276 1.00 0.00 C ATOM 424 OE1 GLU A 45 0.474 -30.557 12.509 1.00 0.00 O ATOM 425 OE2 GLU A 45 -0.346 -32.107 11.268 1.00 0.00 O ATOM 0 H GLU A 45 -1.248 -32.836 14.631 1.00 0.00 H new ATOM 0 HA GLU A 45 0.505 -31.475 16.591 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.069 -31.880 14.557 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.365 -33.337 15.230 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.393 -33.437 12.764 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.251 -33.489 13.371 1.00 0.00 H new ATOM 432 N ALA A 46 -0.945 -29.559 14.702 1.00 0.00 N ATOM 433 CA ALA A 46 -1.055 -28.123 14.277 1.00 0.00 C ATOM 434 C ALA A 46 -0.422 -27.041 15.223 1.00 0.00 C ATOM 435 O ALA A 46 -1.062 -26.566 16.144 1.00 0.00 O ATOM 436 CB ALA A 46 -2.584 -27.841 14.046 1.00 0.00 C ATOM 0 H ALA A 46 -1.807 -30.094 14.596 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.450 -28.016 13.377 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.720 -26.805 13.734 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.964 -28.506 13.271 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.130 -28.015 14.973 1.00 0.00 H new ATOM 442 N GLN A 47 0.814 -26.646 15.003 1.00 0.00 N ATOM 443 CA GLN A 47 1.435 -25.588 15.880 1.00 0.00 C ATOM 444 C GLN A 47 0.811 -24.268 15.395 1.00 0.00 C ATOM 445 O GLN A 47 1.398 -23.488 14.672 1.00 0.00 O ATOM 446 CB GLN A 47 2.989 -25.556 15.690 1.00 0.00 C ATOM 447 CG GLN A 47 3.612 -26.960 15.897 1.00 0.00 C ATOM 448 CD GLN A 47 3.379 -27.447 17.315 1.00 0.00 C ATOM 449 OE1 GLN A 47 3.928 -26.943 18.267 1.00 0.00 O ATOM 450 NE2 GLN A 47 2.569 -28.428 17.519 1.00 0.00 N ATOM 0 H GLN A 47 1.417 -27.005 14.262 1.00 0.00 H new ATOM 0 HA GLN A 47 1.253 -25.772 16.939 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.228 -25.194 14.690 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.429 -24.853 16.397 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.176 -27.665 15.189 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.682 -26.922 15.691 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.094 -28.869 16.732 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.403 -28.763 18.468 1.00 0.00 H new ATOM 459 N ILE A 48 -0.401 -24.073 15.824 1.00 0.00 N ATOM 460 CA ILE A 48 -1.212 -22.876 15.425 1.00 0.00 C ATOM 461 C ILE A 48 -0.896 -21.505 16.039 1.00 0.00 C ATOM 462 O ILE A 48 -0.739 -21.324 17.228 1.00 0.00 O ATOM 463 CB ILE A 48 -2.627 -23.251 15.698 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.994 -24.434 14.811 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.556 -22.058 15.404 1.00 0.00 C ATOM 466 CD1 ILE A 48 -4.133 -25.226 15.402 1.00 0.00 C ATOM 0 H ILE A 48 -0.885 -24.711 16.456 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.962 -22.683 14.382 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.743 -23.525 16.747 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.272 -24.076 13.820 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.125 -25.080 14.684 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.589 -22.342 15.607 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.280 -21.217 16.040 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.458 -21.770 14.357 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.372 -26.064 14.747 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.843 -25.604 16.383 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.008 -24.584 15.504 1.00 0.00 H new ATOM 478 N ILE A 49 -0.839 -20.561 15.145 1.00 0.00 N ATOM 479 CA ILE A 49 -0.511 -19.146 15.494 1.00 0.00 C ATOM 480 C ILE A 49 -1.649 -18.172 15.185 1.00 0.00 C ATOM 481 O ILE A 49 -2.563 -18.444 14.438 1.00 0.00 O ATOM 482 CB ILE A 49 0.772 -18.766 14.719 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.066 -19.115 15.490 1.00 0.00 C ATOM 484 CG2 ILE A 49 0.832 -17.277 14.319 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.230 -20.636 15.681 1.00 0.00 C ATOM 0 H ILE A 49 -1.012 -20.714 14.152 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.357 -19.072 16.571 1.00 0.00 H new ATOM 0 HB ILE A 49 0.716 -19.370 13.813 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.927 -18.722 14.950 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.051 -18.626 16.464 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.759 -17.082 13.779 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.018 -17.037 13.680 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.798 -16.658 15.215 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.152 -20.837 16.227 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.382 -21.025 16.244 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.272 -21.123 14.707 1.00 0.00 H new ATOM 497 N VAL A 50 -1.526 -17.043 15.801 1.00 0.00 N ATOM 498 CA VAL A 50 -2.445 -15.885 15.651 1.00 0.00 C ATOM 499 C VAL A 50 -1.866 -14.707 14.821 1.00 0.00 C ATOM 500 O VAL A 50 -0.749 -14.281 15.034 1.00 0.00 O ATOM 501 CB VAL A 50 -2.781 -15.454 17.069 1.00 0.00 C ATOM 502 CG1 VAL A 50 -1.521 -15.122 17.889 1.00 0.00 C ATOM 503 CG2 VAL A 50 -3.639 -14.176 17.053 1.00 0.00 C ATOM 0 H VAL A 50 -0.765 -16.861 16.455 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.324 -16.185 15.081 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.311 -16.292 17.521 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.811 -14.819 18.895 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.881 -16.003 17.945 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.978 -14.309 17.408 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.871 -13.881 18.076 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.089 -13.375 16.560 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.566 -14.367 16.512 1.00 0.00 H new ATOM 513 N LEU A 51 -2.657 -14.242 13.885 1.00 0.00 N ATOM 514 CA LEU A 51 -2.321 -13.030 13.053 1.00 0.00 C ATOM 515 C LEU A 51 -3.615 -12.179 12.888 1.00 0.00 C ATOM 516 O LEU A 51 -4.695 -12.738 12.991 1.00 0.00 O ATOM 517 CB LEU A 51 -1.882 -13.398 11.621 1.00 0.00 C ATOM 518 CG LEU A 51 -0.610 -14.251 11.469 1.00 0.00 C ATOM 519 CD1 LEU A 51 -1.001 -15.746 11.431 1.00 0.00 C ATOM 520 CD2 LEU A 51 0.098 -13.818 10.158 1.00 0.00 C ATOM 0 H LEU A 51 -3.555 -14.665 13.651 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.511 -12.507 13.562 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.704 -13.930 11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.735 -12.472 11.065 1.00 0.00 H new ATOM 0 HG LEU A 51 0.069 -14.105 12.309 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.103 -16.354 11.323 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.511 -16.012 12.357 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.665 -15.927 10.586 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.005 -14.407 10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.570 -13.982 9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.357 -12.761 10.216 1.00 0.00 H new ATOM 532 N PRO A 52 -3.513 -10.887 12.637 1.00 0.00 N ATOM 533 CA PRO A 52 -4.712 -10.046 12.350 1.00 0.00 C ATOM 534 C PRO A 52 -5.128 -10.211 10.853 1.00 0.00 C ATOM 535 O PRO A 52 -4.321 -10.102 9.945 1.00 0.00 O ATOM 536 CB PRO A 52 -4.254 -8.638 12.711 1.00 0.00 C ATOM 537 CG PRO A 52 -2.773 -8.654 12.235 1.00 0.00 C ATOM 538 CD PRO A 52 -2.260 -10.071 12.638 1.00 0.00 C ATOM 0 HA PRO A 52 -5.605 -10.317 12.914 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.840 -7.874 12.200 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.338 -8.442 13.780 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.698 -8.494 11.159 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.191 -7.868 12.716 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.527 -10.453 11.928 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.781 -10.065 13.617 1.00 0.00 H new ATOM 546 N VAL A 53 -6.392 -10.467 10.654 1.00 0.00 N ATOM 547 CA VAL A 53 -6.978 -10.675 9.285 1.00 0.00 C ATOM 548 C VAL A 53 -6.470 -9.756 8.203 1.00 0.00 C ATOM 549 O VAL A 53 -6.381 -8.551 8.327 1.00 0.00 O ATOM 550 CB VAL A 53 -8.477 -10.556 9.371 1.00 0.00 C ATOM 551 CG1 VAL A 53 -9.154 -10.684 7.963 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.940 -11.721 10.222 1.00 0.00 C ATOM 0 H VAL A 53 -7.073 -10.545 11.409 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.654 -11.671 8.984 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.747 -9.584 9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.235 -10.593 8.069 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.786 -9.894 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.913 -11.655 7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.025 -11.690 10.322 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.646 -12.657 9.748 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.483 -11.655 11.209 1.00 0.00 H new ATOM 562 N GLY A 54 -6.146 -10.441 7.141 1.00 0.00 N ATOM 563 CA GLY A 54 -5.564 -9.763 5.930 1.00 0.00 C ATOM 564 C GLY A 54 -4.105 -10.187 5.803 1.00 0.00 C ATOM 565 O GLY A 54 -3.617 -10.478 4.730 1.00 0.00 O ATOM 0 H GLY A 54 -6.258 -11.451 7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.120 -10.041 5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.638 -8.680 6.028 1.00 0.00 H new ATOM 569 N THR A 55 -3.443 -10.213 6.927 1.00 0.00 N ATOM 570 CA THR A 55 -2.024 -10.623 7.019 1.00 0.00 C ATOM 571 C THR A 55 -1.819 -11.934 6.224 1.00 0.00 C ATOM 572 O THR A 55 -2.532 -12.905 6.361 1.00 0.00 O ATOM 573 CB THR A 55 -1.868 -10.658 8.494 1.00 0.00 C ATOM 574 OG1 THR A 55 -1.998 -9.311 8.910 1.00 0.00 O ATOM 575 CG2 THR A 55 -0.580 -10.987 8.902 1.00 0.00 C ATOM 0 H THR A 55 -3.854 -9.953 7.824 1.00 0.00 H new ATOM 0 HA THR A 55 -1.256 -9.990 6.574 1.00 0.00 H new ATOM 0 HB THR A 55 -2.581 -11.380 8.892 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.896 -9.166 9.275 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.534 -10.995 9.991 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.318 -11.974 8.521 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.124 -10.250 8.515 1.00 0.00 H new ATOM 583 N ILE A 56 -0.803 -11.905 5.412 1.00 0.00 N ATOM 584 CA ILE A 56 -0.531 -12.994 4.432 1.00 0.00 C ATOM 585 C ILE A 56 -0.472 -14.456 4.925 1.00 0.00 C ATOM 586 O ILE A 56 0.399 -14.883 5.659 1.00 0.00 O ATOM 587 CB ILE A 56 0.812 -12.637 3.693 1.00 0.00 C ATOM 588 CG1 ILE A 56 0.753 -11.290 2.900 1.00 0.00 C ATOM 589 CG2 ILE A 56 1.098 -13.713 2.623 1.00 0.00 C ATOM 590 CD1 ILE A 56 0.611 -10.039 3.782 1.00 0.00 C ATOM 0 H ILE A 56 -0.125 -11.144 5.386 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.417 -13.007 3.798 1.00 0.00 H new ATOM 0 HB ILE A 56 1.568 -12.570 4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.658 -11.196 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.087 -11.328 2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.027 -13.474 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.190 -14.687 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.279 -13.738 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.578 -9.151 3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.309 -10.106 4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.463 -9.972 4.458 1.00 0.00 H new ATOM 602 N VAL A 57 -1.460 -15.172 4.453 1.00 0.00 N ATOM 603 CA VAL A 57 -1.640 -16.652 4.698 1.00 0.00 C ATOM 604 C VAL A 57 -1.312 -17.603 3.605 1.00 0.00 C ATOM 605 O VAL A 57 -0.332 -18.312 3.691 1.00 0.00 O ATOM 606 CB VAL A 57 -3.102 -16.986 5.163 1.00 0.00 C ATOM 607 CG1 VAL A 57 -3.047 -17.857 6.378 1.00 0.00 C ATOM 608 CG2 VAL A 57 -3.862 -15.725 5.532 1.00 0.00 C ATOM 0 H VAL A 57 -2.197 -14.772 3.872 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.885 -16.814 5.467 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.609 -17.487 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.060 -18.091 6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.520 -18.781 6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.521 -17.334 7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.871 -15.988 5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.347 -15.215 6.346 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.915 -15.066 4.666 1.00 0.00 H new ATOM 618 N THR A 58 -2.130 -17.586 2.610 1.00 0.00 N ATOM 619 CA THR A 58 -1.921 -18.497 1.473 1.00 0.00 C ATOM 620 C THR A 58 -0.868 -18.131 0.417 1.00 0.00 C ATOM 621 O THR A 58 -1.061 -17.840 -0.744 1.00 0.00 O ATOM 622 CB THR A 58 -3.281 -18.712 0.863 1.00 0.00 C ATOM 623 OG1 THR A 58 -4.374 -18.162 1.617 1.00 0.00 O ATOM 624 CG2 THR A 58 -3.414 -20.187 0.761 1.00 0.00 C ATOM 0 H THR A 58 -2.943 -16.974 2.534 1.00 0.00 H new ATOM 0 HA THR A 58 -1.466 -19.401 1.878 1.00 0.00 H new ATOM 0 HB THR A 58 -3.340 -18.192 -0.093 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.217 -18.344 1.151 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.381 -20.436 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.618 -20.581 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.340 -20.629 1.755 1.00 0.00 H new ATOM 632 N MET A 59 0.254 -18.203 1.045 1.00 0.00 N ATOM 633 CA MET A 59 1.622 -17.936 0.537 1.00 0.00 C ATOM 634 C MET A 59 2.238 -19.304 0.225 1.00 0.00 C ATOM 635 O MET A 59 1.807 -20.087 -0.601 1.00 0.00 O ATOM 636 CB MET A 59 2.285 -17.104 1.681 1.00 0.00 C ATOM 637 CG MET A 59 3.513 -16.309 1.170 1.00 0.00 C ATOM 638 SD MET A 59 4.876 -17.192 0.370 1.00 0.00 S ATOM 639 CE MET A 59 4.425 -16.948 -1.370 1.00 0.00 C ATOM 0 H MET A 59 0.276 -18.475 2.028 1.00 0.00 H new ATOM 0 HA MET A 59 1.723 -17.364 -0.385 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.553 -16.414 2.101 1.00 0.00 H new ATOM 0 HB3 MET A 59 2.592 -17.772 2.486 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.148 -15.563 0.464 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.929 -15.768 2.020 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.298 -17.120 -2.000 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.636 -17.649 -1.643 1.00 0.00 H new ATOM 0 HE3 MET A 59 4.069 -15.928 -1.514 1.00 0.00 H new ATOM 649 N GLU A 60 3.288 -19.466 0.951 1.00 0.00 N ATOM 650 CA GLU A 60 4.071 -20.697 1.101 1.00 0.00 C ATOM 651 C GLU A 60 3.197 -21.639 1.957 1.00 0.00 C ATOM 652 O GLU A 60 1.981 -21.567 1.962 1.00 0.00 O ATOM 653 CB GLU A 60 5.365 -20.249 1.762 1.00 0.00 C ATOM 654 CG GLU A 60 5.113 -19.673 3.202 1.00 0.00 C ATOM 655 CD GLU A 60 5.893 -20.444 4.280 1.00 0.00 C ATOM 656 OE1 GLU A 60 6.089 -21.648 4.149 1.00 0.00 O ATOM 657 OE2 GLU A 60 6.253 -19.757 5.216 1.00 0.00 O ATOM 0 H GLU A 60 3.671 -18.701 1.506 1.00 0.00 H new ATOM 0 HA GLU A 60 4.327 -21.236 0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.053 -21.092 1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.845 -19.489 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.403 -18.623 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.047 -19.715 3.427 1.00 0.00 H new ATOM 664 N TYR A 61 3.852 -22.500 2.665 1.00 0.00 N ATOM 665 CA TYR A 61 3.100 -23.505 3.462 1.00 0.00 C ATOM 666 C TYR A 61 3.467 -23.643 4.950 1.00 0.00 C ATOM 667 O TYR A 61 4.358 -24.419 5.265 1.00 0.00 O ATOM 668 CB TYR A 61 3.273 -24.859 2.717 1.00 0.00 C ATOM 669 CG TYR A 61 2.115 -25.821 2.934 1.00 0.00 C ATOM 670 CD1 TYR A 61 1.000 -25.560 3.704 1.00 0.00 C ATOM 671 CD2 TYR A 61 2.211 -27.017 2.285 1.00 0.00 C ATOM 672 CE1 TYR A 61 -0.002 -26.504 3.805 1.00 0.00 C ATOM 673 CE2 TYR A 61 1.213 -27.957 2.386 1.00 0.00 C ATOM 674 CZ TYR A 61 0.102 -27.705 3.145 1.00 0.00 C ATOM 675 OH TYR A 61 -0.898 -28.640 3.248 1.00 0.00 O ATOM 0 H TYR A 61 4.868 -22.557 2.730 1.00 0.00 H new ATOM 0 HA TYR A 61 2.067 -23.162 3.520 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.380 -24.667 1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.196 -25.333 3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.912 -24.619 4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.083 -27.228 1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.874 -26.297 4.407 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.306 -28.898 1.864 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.663 -29.430 2.718 1.00 0.00 H new ATOM 685 N ARG A 62 2.820 -22.929 5.850 1.00 0.00 N ATOM 686 CA ARG A 62 3.172 -23.199 7.281 1.00 0.00 C ATOM 687 C ARG A 62 2.150 -24.212 7.779 1.00 0.00 C ATOM 688 O ARG A 62 1.293 -24.044 8.625 1.00 0.00 O ATOM 689 CB ARG A 62 3.163 -21.868 8.076 1.00 0.00 C ATOM 690 CG ARG A 62 4.607 -21.661 8.679 1.00 0.00 C ATOM 691 CD ARG A 62 5.643 -21.535 7.515 1.00 0.00 C ATOM 692 NE ARG A 62 6.235 -22.844 7.033 1.00 0.00 N ATOM 693 CZ ARG A 62 6.319 -23.901 7.757 1.00 0.00 C ATOM 694 NH1 ARG A 62 6.683 -23.786 8.962 1.00 0.00 N ATOM 695 NH2 ARG A 62 6.026 -25.006 7.218 1.00 0.00 N ATOM 0 H ARG A 62 2.111 -22.218 5.672 1.00 0.00 H new ATOM 0 HA ARG A 62 4.174 -23.609 7.408 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.897 -21.035 7.425 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.418 -21.902 8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.629 -20.765 9.299 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.868 -22.501 9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.160 -21.041 6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.455 -20.886 7.842 1.00 0.00 H new ATOM 0 HE ARG A 62 6.588 -22.888 6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.904 -22.866 9.342 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.756 -24.613 9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.735 -25.036 6.241 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.080 -25.868 7.760 1.00 0.00 H new ATOM 709 N ILE A 63 2.366 -25.311 7.119 1.00 0.00 N ATOM 710 CA ILE A 63 1.603 -26.568 7.287 1.00 0.00 C ATOM 711 C ILE A 63 1.664 -27.141 8.679 1.00 0.00 C ATOM 712 O ILE A 63 0.790 -27.849 9.118 1.00 0.00 O ATOM 713 CB ILE A 63 2.148 -27.524 6.219 1.00 0.00 C ATOM 714 CG1 ILE A 63 1.506 -28.907 6.276 1.00 0.00 C ATOM 715 CG2 ILE A 63 3.649 -27.755 6.487 1.00 0.00 C ATOM 716 CD1 ILE A 63 -0.014 -28.936 6.361 1.00 0.00 C ATOM 0 H ILE A 63 3.101 -25.386 6.416 1.00 0.00 H new ATOM 0 HA ILE A 63 0.536 -26.387 7.154 1.00 0.00 H new ATOM 0 HB ILE A 63 1.938 -27.064 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.811 -29.464 5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.908 -29.437 7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.053 -28.434 5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.178 -26.803 6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.779 -28.192 7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.357 -29.970 6.396 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.338 -28.416 7.262 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.437 -28.443 5.486 1.00 0.00 H new ATOM 728 N ASP A 64 2.707 -26.803 9.359 1.00 0.00 N ATOM 729 CA ASP A 64 2.879 -27.262 10.751 1.00 0.00 C ATOM 730 C ASP A 64 2.163 -26.218 11.652 1.00 0.00 C ATOM 731 O ASP A 64 2.461 -26.042 12.815 1.00 0.00 O ATOM 732 CB ASP A 64 4.421 -27.367 10.920 1.00 0.00 C ATOM 733 CG ASP A 64 5.162 -26.158 10.381 1.00 0.00 C ATOM 734 OD1 ASP A 64 4.972 -25.043 10.855 1.00 0.00 O ATOM 735 OD2 ASP A 64 5.924 -26.399 9.467 1.00 0.00 O ATOM 0 H ASP A 64 3.463 -26.217 9.004 1.00 0.00 H new ATOM 0 HA ASP A 64 2.443 -28.225 11.019 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.657 -27.489 11.977 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.777 -28.261 10.409 1.00 0.00 H new ATOM 740 N ARG A 65 1.201 -25.547 11.049 1.00 0.00 N ATOM 741 CA ARG A 65 0.406 -24.462 11.718 1.00 0.00 C ATOM 742 C ARG A 65 -0.989 -24.134 11.104 1.00 0.00 C ATOM 743 O ARG A 65 -1.087 -23.962 9.903 1.00 0.00 O ATOM 744 CB ARG A 65 1.347 -23.315 11.645 1.00 0.00 C ATOM 745 CG ARG A 65 0.848 -21.939 12.129 1.00 0.00 C ATOM 746 CD ARG A 65 1.963 -20.883 11.854 1.00 0.00 C ATOM 747 NE ARG A 65 3.282 -21.615 11.675 1.00 0.00 N ATOM 748 CZ ARG A 65 4.167 -21.724 12.599 1.00 0.00 C ATOM 749 NH1 ARG A 65 4.312 -20.823 13.494 1.00 0.00 N ATOM 750 NH2 ARG A 65 4.912 -22.771 12.609 1.00 0.00 N ATOM 0 H ARG A 65 0.926 -25.717 10.081 1.00 0.00 H new ATOM 0 HA ARG A 65 0.103 -24.756 12.723 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.233 -23.572 12.225 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.665 -23.209 10.608 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.070 -21.665 11.609 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.614 -21.974 13.193 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.726 -20.305 10.961 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.030 -20.178 12.682 1.00 0.00 H new ATOM 0 HE ARG A 65 3.476 -22.044 10.770 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.717 -19.994 13.484 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.022 -20.933 14.218 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.792 -23.489 11.895 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.623 -22.884 13.331 1.00 0.00 H new ATOM 764 N VAL A 66 -2.041 -24.043 11.883 1.00 0.00 N ATOM 765 CA VAL A 66 -3.318 -23.588 11.236 1.00 0.00 C ATOM 766 C VAL A 66 -3.521 -22.135 11.679 1.00 0.00 C ATOM 767 O VAL A 66 -4.395 -21.816 12.463 1.00 0.00 O ATOM 768 CB VAL A 66 -4.529 -24.386 11.678 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.701 -24.046 10.770 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.410 -25.817 11.395 1.00 0.00 C ATOM 0 H VAL A 66 -2.078 -24.250 12.881 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.231 -23.715 10.157 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.636 -24.162 12.739 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.578 -24.615 11.079 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.917 -22.980 10.839 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.449 -24.299 9.740 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.309 -26.331 11.735 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.291 -25.967 10.322 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.542 -26.220 11.917 1.00 0.00 H new ATOM 780 N ARG A 67 -2.671 -21.303 11.151 1.00 0.00 N ATOM 781 CA ARG A 67 -2.771 -19.866 11.505 1.00 0.00 C ATOM 782 C ARG A 67 -4.220 -19.352 11.441 1.00 0.00 C ATOM 783 O ARG A 67 -5.019 -19.659 10.567 1.00 0.00 O ATOM 784 CB ARG A 67 -1.863 -19.109 10.571 1.00 0.00 C ATOM 785 CG ARG A 67 -2.315 -19.328 9.179 1.00 0.00 C ATOM 786 CD ARG A 67 -1.045 -19.340 8.295 1.00 0.00 C ATOM 787 NE ARG A 67 -0.125 -18.189 8.567 1.00 0.00 N ATOM 788 CZ ARG A 67 0.312 -17.434 7.629 1.00 0.00 C ATOM 789 NH1 ARG A 67 0.662 -17.916 6.491 1.00 0.00 N ATOM 790 NH2 ARG A 67 0.371 -16.192 7.903 1.00 0.00 N ATOM 0 H ARG A 67 -1.925 -21.551 10.501 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.459 -19.714 12.538 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.879 -18.046 10.809 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.834 -19.447 10.690 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.856 -20.270 9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.997 -18.538 8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.506 -20.274 8.457 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.340 -19.321 7.246 1.00 0.00 H new ATOM 0 HE ARG A 67 0.162 -18.001 9.528 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.595 -18.919 6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.007 -17.296 5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.080 -15.858 8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.709 -15.531 7.204 1.00 0.00 H new ATOM 804 N LEU A 68 -4.425 -18.585 12.464 1.00 0.00 N ATOM 805 CA LEU A 68 -5.701 -17.941 12.833 1.00 0.00 C ATOM 806 C LEU A 68 -5.745 -16.462 12.462 1.00 0.00 C ATOM 807 O LEU A 68 -4.970 -15.666 12.967 1.00 0.00 O ATOM 808 CB LEU A 68 -5.869 -18.109 14.361 1.00 0.00 C ATOM 809 CG LEU A 68 -5.728 -19.595 14.809 1.00 0.00 C ATOM 810 CD1 LEU A 68 -5.503 -19.638 16.306 1.00 0.00 C ATOM 811 CD2 LEU A 68 -7.018 -20.335 14.585 1.00 0.00 C ATOM 0 H LEU A 68 -3.677 -18.361 13.121 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.512 -18.415 12.281 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.123 -17.504 14.876 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.847 -17.732 14.661 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.909 -20.039 14.243 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.403 -20.674 16.629 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.593 -19.091 16.553 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.351 -19.179 16.815 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.903 -21.371 14.903 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.813 -19.864 15.163 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.275 -20.307 13.526 1.00 0.00 H new ATOM 823 N PHE A 69 -6.667 -16.193 11.577 1.00 0.00 N ATOM 824 CA PHE A 69 -6.944 -14.795 11.163 1.00 0.00 C ATOM 825 C PHE A 69 -8.070 -14.206 12.015 1.00 0.00 C ATOM 826 O PHE A 69 -9.270 -14.386 11.839 1.00 0.00 O ATOM 827 CB PHE A 69 -7.183 -14.913 9.580 1.00 0.00 C ATOM 828 CG PHE A 69 -5.748 -14.994 9.256 1.00 0.00 C ATOM 829 CD1 PHE A 69 -5.146 -13.796 9.364 1.00 0.00 C ATOM 830 CD2 PHE A 69 -5.037 -16.112 8.939 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.838 -13.670 9.170 1.00 0.00 C ATOM 832 CE2 PHE A 69 -3.721 -15.973 8.742 1.00 0.00 C ATOM 833 CZ PHE A 69 -3.087 -14.779 8.844 1.00 0.00 C ATOM 0 H PHE A 69 -7.246 -16.896 11.119 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.145 -14.074 11.335 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.752 -15.795 9.285 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.685 -14.049 9.144 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.734 -12.925 9.612 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.518 -17.075 8.850 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.365 -12.704 9.267 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.140 -16.848 8.491 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.023 -14.699 8.675 1.00 0.00 H new ATOM 843 N VAL A 70 -7.520 -13.466 12.951 1.00 0.00 N ATOM 844 CA VAL A 70 -8.377 -12.863 14.024 1.00 0.00 C ATOM 845 C VAL A 70 -8.494 -11.344 13.928 1.00 0.00 C ATOM 846 O VAL A 70 -7.870 -10.726 13.086 1.00 0.00 O ATOM 847 CB VAL A 70 -7.790 -13.283 15.427 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.206 -14.682 15.396 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.643 -12.408 15.929 1.00 0.00 C ATOM 0 H VAL A 70 -6.524 -13.255 13.018 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.390 -13.245 13.894 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.654 -13.188 16.084 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.812 -14.934 16.381 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.984 -15.395 15.123 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.401 -14.724 14.662 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.305 -12.773 16.899 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.817 -12.448 15.219 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.987 -11.379 16.028 1.00 0.00 H new ATOM 859 N ASP A 71 -9.275 -10.778 14.802 1.00 0.00 N ATOM 860 CA ASP A 71 -9.490 -9.309 14.758 1.00 0.00 C ATOM 861 C ASP A 71 -8.780 -8.546 15.874 1.00 0.00 C ATOM 862 O ASP A 71 -7.675 -8.826 16.297 1.00 0.00 O ATOM 863 CB ASP A 71 -11.029 -9.064 14.805 1.00 0.00 C ATOM 864 CG ASP A 71 -11.651 -9.384 16.163 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.019 -10.102 16.922 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.735 -8.857 16.316 1.00 0.00 O ATOM 0 H ASP A 71 -9.773 -11.269 15.544 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.051 -8.923 13.838 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.232 -8.022 14.557 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.510 -9.673 14.040 1.00 0.00 H new ATOM 871 N LYS A 72 -9.522 -7.577 16.298 1.00 0.00 N ATOM 872 CA LYS A 72 -9.088 -6.629 17.358 1.00 0.00 C ATOM 873 C LYS A 72 -9.327 -7.160 18.772 1.00 0.00 C ATOM 874 O LYS A 72 -8.944 -6.593 19.773 1.00 0.00 O ATOM 875 CB LYS A 72 -9.858 -5.320 17.081 1.00 0.00 C ATOM 876 CG LYS A 72 -9.556 -4.773 15.649 1.00 0.00 C ATOM 877 CD LYS A 72 -10.621 -3.701 15.232 1.00 0.00 C ATOM 878 CE LYS A 72 -11.966 -4.361 14.843 1.00 0.00 C ATOM 879 NZ LYS A 72 -12.899 -3.270 14.385 1.00 0.00 N ATOM 0 H LYS A 72 -10.458 -7.391 15.938 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.010 -6.473 17.321 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.928 -5.497 17.186 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.584 -4.571 17.824 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.559 -4.332 15.625 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.559 -5.594 14.932 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.780 -3.005 16.056 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.243 -3.119 14.391 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.817 -5.094 14.050 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.390 -4.894 15.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.814 -3.686 14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.042 -2.588 15.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.486 -2.782 13.565 1.00 0.00 H new ATOM 893 N LEU A 73 -9.959 -8.275 18.745 1.00 0.00 N ATOM 894 CA LEU A 73 -10.382 -9.066 19.936 1.00 0.00 C ATOM 895 C LEU A 73 -10.090 -10.571 19.739 1.00 0.00 C ATOM 896 O LEU A 73 -10.928 -11.392 20.050 1.00 0.00 O ATOM 897 CB LEU A 73 -11.862 -8.806 20.082 1.00 0.00 C ATOM 898 CG LEU A 73 -12.171 -7.328 20.273 1.00 0.00 C ATOM 899 CD1 LEU A 73 -13.693 -7.152 20.317 1.00 0.00 C ATOM 900 CD2 LEU A 73 -11.582 -6.819 21.609 1.00 0.00 C ATOM 0 H LEU A 73 -10.229 -8.719 17.867 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.834 -8.773 20.832 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.382 -9.173 19.197 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.246 -9.368 20.933 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.733 -6.763 19.450 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.934 -6.098 20.454 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.127 -7.505 19.382 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.102 -7.728 21.147 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.813 -5.760 21.729 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.017 -7.381 22.436 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.501 -6.957 21.606 1.00 0.00 H new ATOM 912 N ASP A 74 -8.928 -10.857 19.214 1.00 0.00 N ATOM 913 CA ASP A 74 -8.445 -12.220 18.964 1.00 0.00 C ATOM 914 C ASP A 74 -9.514 -13.268 18.585 1.00 0.00 C ATOM 915 O ASP A 74 -9.366 -14.444 18.855 1.00 0.00 O ATOM 916 CB ASP A 74 -7.616 -12.494 20.253 1.00 0.00 C ATOM 917 CG ASP A 74 -8.411 -13.119 21.399 1.00 0.00 C ATOM 918 OD1 ASP A 74 -9.069 -12.350 22.071 1.00 0.00 O ATOM 919 OD2 ASP A 74 -8.314 -14.332 21.538 1.00 0.00 O ATOM 0 H ASP A 74 -8.260 -10.138 18.935 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.853 -12.310 18.053 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.786 -13.154 20.002 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.184 -11.555 20.598 1.00 0.00 H new ATOM 924 N ASN A 75 -10.553 -12.800 17.941 1.00 0.00 N ATOM 925 CA ASN A 75 -11.669 -13.672 17.487 1.00 0.00 C ATOM 926 C ASN A 75 -11.561 -13.820 15.980 1.00 0.00 C ATOM 927 O ASN A 75 -11.238 -12.911 15.238 1.00 0.00 O ATOM 928 CB ASN A 75 -13.016 -13.026 17.893 1.00 0.00 C ATOM 929 CG ASN A 75 -13.286 -13.277 19.344 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.321 -14.385 19.834 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.492 -12.249 20.073 1.00 0.00 N ATOM 0 H ASN A 75 -10.673 -11.815 17.705 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.616 -14.658 17.949 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.988 -11.954 17.700 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.824 -13.438 17.288 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.686 -12.360 21.068 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.462 -11.317 19.660 1.00 0.00 H new ATOM 938 N ILE A 76 -11.841 -15.012 15.572 1.00 0.00 N ATOM 939 CA ILE A 76 -11.761 -15.411 14.152 1.00 0.00 C ATOM 940 C ILE A 76 -12.806 -14.837 13.239 1.00 0.00 C ATOM 941 O ILE A 76 -13.921 -15.279 13.007 1.00 0.00 O ATOM 942 CB ILE A 76 -11.732 -16.900 14.184 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.482 -17.062 15.123 1.00 0.00 C ATOM 944 CG2 ILE A 76 -11.534 -17.368 12.703 1.00 0.00 C ATOM 945 CD1 ILE A 76 -9.900 -18.356 15.036 1.00 0.00 C ATOM 0 H ILE A 76 -12.137 -15.763 16.196 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.868 -14.986 13.694 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.592 -17.470 14.537 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.735 -16.313 14.861 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.779 -16.869 16.154 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.505 -18.457 12.666 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.362 -17.006 12.093 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.597 -16.967 12.317 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.041 -18.414 15.704 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.636 -19.106 15.325 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.576 -18.541 14.012 1.00 0.00 H new ATOM 957 N ALA A 77 -12.188 -13.799 12.790 1.00 0.00 N ATOM 958 CA ALA A 77 -12.645 -12.784 11.861 1.00 0.00 C ATOM 959 C ALA A 77 -12.667 -13.343 10.411 1.00 0.00 C ATOM 960 O ALA A 77 -13.584 -13.087 9.660 1.00 0.00 O ATOM 961 CB ALA A 77 -11.622 -11.714 12.316 1.00 0.00 C ATOM 0 H ALA A 77 -11.234 -13.605 13.093 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.663 -12.394 11.859 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.766 -10.803 11.736 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.769 -11.497 13.374 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.610 -12.088 12.159 1.00 0.00 H new ATOM 967 N GLN A 78 -11.660 -14.095 10.085 1.00 0.00 N ATOM 968 CA GLN A 78 -11.560 -14.729 8.715 1.00 0.00 C ATOM 969 C GLN A 78 -11.533 -16.241 8.975 1.00 0.00 C ATOM 970 O GLN A 78 -11.196 -16.609 10.079 1.00 0.00 O ATOM 971 CB GLN A 78 -10.256 -14.196 8.044 1.00 0.00 C ATOM 972 CG GLN A 78 -9.791 -15.075 6.812 1.00 0.00 C ATOM 973 CD GLN A 78 -8.471 -14.594 6.158 1.00 0.00 C ATOM 974 OE1 GLN A 78 -7.454 -15.262 6.207 1.00 0.00 O ATOM 975 NE2 GLN A 78 -8.387 -13.468 5.529 1.00 0.00 N ATOM 0 H GLN A 78 -10.882 -14.310 10.709 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.383 -14.494 8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.418 -13.171 7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.458 -14.168 8.785 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.667 -16.107 7.141 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.579 -15.073 6.059 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.205 -12.864 5.454 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.503 -13.184 5.108 1.00 0.00 H new ATOM 984 N VAL A 79 -11.851 -17.127 8.072 1.00 0.00 N ATOM 985 CA VAL A 79 -11.713 -18.554 8.523 1.00 0.00 C ATOM 986 C VAL A 79 -10.226 -18.986 8.526 1.00 0.00 C ATOM 987 O VAL A 79 -9.508 -18.648 7.603 1.00 0.00 O ATOM 988 CB VAL A 79 -12.558 -19.459 7.593 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.344 -20.937 7.992 1.00 0.00 C ATOM 990 CG2 VAL A 79 -13.984 -19.198 8.026 1.00 0.00 C ATOM 0 H VAL A 79 -12.174 -16.958 7.119 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.080 -18.652 9.545 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.321 -19.277 6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.937 -21.579 7.341 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.289 -21.192 7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.655 -21.083 9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.664 -19.798 7.421 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.100 -19.466 9.076 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.217 -18.141 7.893 1.00 0.00 H new ATOM 1000 N PRO A 80 -9.765 -19.712 9.523 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.342 -20.175 9.599 1.00 0.00 C ATOM 1002 C PRO A 80 -8.112 -21.347 8.628 1.00 0.00 C ATOM 1003 O PRO A 80 -9.052 -21.947 8.134 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.150 -20.551 11.079 1.00 0.00 C ATOM 1005 CG PRO A 80 -9.390 -19.898 11.757 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.512 -20.169 10.721 1.00 0.00 C ATOM 0 HA PRO A 80 -7.613 -19.423 9.297 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.130 -21.631 11.224 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.215 -20.159 11.479 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.611 -20.351 12.724 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.245 -18.832 11.930 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.806 -21.217 10.670 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.418 -19.593 10.908 1.00 0.00 H new ATOM 1014 N ARG A 81 -6.878 -21.661 8.376 1.00 0.00 N ATOM 1015 CA ARG A 81 -6.605 -22.738 7.386 1.00 0.00 C ATOM 1016 C ARG A 81 -5.181 -23.185 7.599 1.00 0.00 C ATOM 1017 O ARG A 81 -4.429 -22.530 8.298 1.00 0.00 O ATOM 1018 CB ARG A 81 -6.865 -22.169 5.956 1.00 0.00 C ATOM 1019 CG ARG A 81 -5.713 -21.275 5.628 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.013 -20.376 4.441 1.00 0.00 C ATOM 1021 NE ARG A 81 -7.114 -19.457 4.896 1.00 0.00 N ATOM 1022 CZ ARG A 81 -6.890 -18.256 5.275 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -6.208 -17.429 4.599 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -7.394 -17.921 6.381 1.00 0.00 N ATOM 0 H ARG A 81 -6.058 -21.230 8.802 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.255 -23.604 7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.947 -22.976 5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.804 -21.616 5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.471 -20.662 6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.833 -21.881 5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.129 -19.811 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.324 -20.961 3.575 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.073 -19.804 4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.806 -17.710 3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.061 -16.483 4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.943 -18.594 6.916 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.253 -16.977 6.741 1.00 0.00 H new ATOM 1038 N VAL A 82 -4.841 -24.273 6.998 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.464 -24.771 7.150 1.00 0.00 C ATOM 1040 C VAL A 82 -2.540 -24.043 6.167 1.00 0.00 C ATOM 1041 O VAL A 82 -2.882 -23.918 5.001 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.406 -26.233 6.834 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.026 -26.642 7.150 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.326 -27.066 7.709 1.00 0.00 C ATOM 0 H VAL A 82 -5.453 -24.838 6.410 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.148 -24.595 8.178 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.708 -26.389 5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.905 -27.705 6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.328 -26.072 6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.822 -26.452 8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.239 -28.117 7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.044 -26.942 8.755 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.356 -26.738 7.570 1.00 0.00 H new ATOM 1054 N GLY A 83 -1.421 -23.608 6.675 1.00 0.00 N ATOM 1055 CA GLY A 83 -0.430 -22.946 5.794 1.00 0.00 C ATOM 1056 C GLY A 83 -0.402 -21.410 5.986 1.00 0.00 C ATOM 1057 O GLY A 83 0.624 -20.856 6.357 1.00 0.00 O ATOM 1058 OXT GLY A 83 -1.459 -20.847 5.738 1.00 0.00 O ATOM 0 H GLY A 83 -1.154 -23.683 7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.561 -23.353 5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.662 -23.175 4.754 1.00 0.00 H new TER 1062 GLY A 83