USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 550 hydrogens (5 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 1 MET CE :methyl -152:sc=-9.19e-05 (180deg=-1.12) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -170:sc=-0.00616 (180deg=-0.119) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -112:sc= 0.203 (180deg=-1.09) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.081) USER MOD Single : A 32 CYS SG : rot 63:sc= 0.864 USER MOD Single : A 34 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.5) USER MOD Single : A 35 ASN :FLIP amide:sc= -1.34 F(o=-2,f=-1.3) USER MOD Single : A 37 TYR OH : rot -178:sc= 0.294 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0439 X(o=-0.044,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= 0.292 (180deg=-0.699) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= -0.754 (180deg=-1.77!) USER MOD Single : A 51 ASN : amide:sc= -3.02! C(o=-3!,f=-9.6!) USER MOD Single : A 52 TYR OH : rot -13:sc= 1.12 USER MOD Single : A 55 MET CE :methyl 149:sc= -0.353 (180deg=-1.32!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.649 2.870 3.723 1.00 0.00 N ATOM 2 CA MET A 1 8.208 1.497 3.592 1.00 0.00 C ATOM 3 C MET A 1 7.721 1.343 2.146 1.00 0.00 C ATOM 4 O MET A 1 6.753 1.968 1.721 1.00 0.00 O ATOM 5 CB MET A 1 7.096 1.212 4.609 1.00 0.00 C ATOM 6 CG MET A 1 6.459 -0.165 4.404 1.00 0.00 C ATOM 7 SD MET A 1 5.146 -0.496 5.589 1.00 0.00 S ATOM 8 CE MET A 1 6.140 -0.775 7.063 1.00 0.00 C ATOM 0 H1 MET A 1 8.993 3.033 4.691 1.00 0.00 H new ATOM 0 H2 MET A 1 9.418 3.054 3.047 1.00 0.00 H new ATOM 0 H3 MET A 1 7.854 3.510 3.525 1.00 0.00 H new ATOM 0 HA MET A 1 9.005 0.782 3.796 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.505 1.274 5.618 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.328 1.981 4.529 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.057 -0.230 3.393 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.226 -0.934 4.492 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.610 -1.447 7.737 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.093 -1.222 6.780 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.320 0.175 7.566 1.00 0.00 H new ATOM 18 N GLU A 2 8.491 0.494 1.422 1.00 0.00 N ATOM 19 CA GLU A 2 8.168 0.220 0.028 1.00 0.00 C ATOM 20 C GLU A 2 7.049 -0.836 0.021 1.00 0.00 C ATOM 21 O GLU A 2 7.161 -1.925 0.568 1.00 0.00 O ATOM 22 CB GLU A 2 9.421 -0.159 -0.785 1.00 0.00 C ATOM 23 CG GLU A 2 10.080 -1.486 -0.389 1.00 0.00 C ATOM 24 CD GLU A 2 11.380 -1.728 -1.174 1.00 0.00 C ATOM 25 OE1 GLU A 2 11.314 -2.332 -2.246 1.00 0.00 O ATOM 26 OE2 GLU A 2 12.442 -1.322 -0.702 1.00 0.00 O ATOM 0 H GLU A 2 9.313 0.007 1.780 1.00 0.00 H new ATOM 0 HA GLU A 2 7.800 1.111 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.149 -0.207 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.157 0.639 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.295 -1.482 0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.386 -2.306 -0.571 1.00 0.00 H new ATOM 33 N ALA A 3 5.948 -0.381 -0.602 1.00 0.00 N ATOM 34 CA ALA A 3 4.709 -1.126 -0.750 1.00 0.00 C ATOM 35 C ALA A 3 4.628 -1.661 -2.187 1.00 0.00 C ATOM 36 O ALA A 3 5.034 -1.005 -3.137 1.00 0.00 O ATOM 37 CB ALA A 3 3.634 -0.111 -0.400 1.00 0.00 C ATOM 0 H ALA A 3 5.906 0.546 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 3 4.612 -2.005 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.652 -0.578 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.785 0.241 0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.693 0.733 -1.087 1.00 0.00 H new ATOM 43 N ILE A 4 4.090 -2.895 -2.266 1.00 0.00 N ATOM 44 CA ILE A 4 4.002 -3.600 -3.539 1.00 0.00 C ATOM 45 C ILE A 4 2.638 -4.287 -3.646 1.00 0.00 C ATOM 46 O ILE A 4 2.311 -5.182 -2.878 1.00 0.00 O ATOM 47 CB ILE A 4 5.124 -4.664 -3.546 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.529 -4.017 -3.500 1.00 0.00 C ATOM 49 CG2 ILE A 4 5.014 -5.630 -4.746 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.682 -5.020 -3.383 1.00 0.00 C ATOM 0 H ILE A 4 3.717 -3.410 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 4 4.112 -2.914 -4.378 1.00 0.00 H new ATOM 0 HB ILE A 4 4.988 -5.252 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.671 -3.421 -4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.573 -3.331 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.825 -6.357 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.057 -6.151 -4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.082 -5.065 -5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.630 -4.483 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.568 -5.600 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.669 -5.691 -4.241 1.00 0.00 H new ATOM 62 N ALA A 5 1.876 -3.815 -4.647 1.00 0.00 N ATOM 63 CA ALA A 5 0.568 -4.388 -4.907 1.00 0.00 C ATOM 64 C ALA A 5 0.729 -5.834 -5.413 1.00 0.00 C ATOM 65 O ALA A 5 1.375 -6.093 -6.421 1.00 0.00 O ATOM 66 CB ALA A 5 -0.128 -3.554 -5.980 1.00 0.00 C ATOM 0 H ALA A 5 2.145 -3.054 -5.271 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.023 -4.390 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.113 -3.974 -6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.237 -2.528 -5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.468 -3.564 -6.892 1.00 0.00 H new ATOM 72 N LYS A 6 0.077 -6.742 -4.668 1.00 0.00 N ATOM 73 CA LYS A 6 0.109 -8.157 -5.024 1.00 0.00 C ATOM 74 C LYS A 6 -1.015 -8.496 -5.999 1.00 0.00 C ATOM 75 O LYS A 6 -0.938 -9.462 -6.745 1.00 0.00 O ATOM 76 CB LYS A 6 -0.126 -8.998 -3.779 1.00 0.00 C ATOM 77 CG LYS A 6 1.078 -8.931 -2.857 1.00 0.00 C ATOM 78 CD LYS A 6 1.231 -10.223 -2.069 1.00 0.00 C ATOM 79 CE LYS A 6 0.183 -10.359 -0.958 1.00 0.00 C ATOM 80 NZ LYS A 6 0.515 -11.425 -0.021 1.00 0.00 N ATOM 0 H LYS A 6 -0.466 -6.521 -3.833 1.00 0.00 H new ATOM 0 HA LYS A 6 1.080 -8.364 -5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.013 -8.642 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.317 -10.033 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.979 -8.748 -3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.969 -8.092 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.148 -11.071 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.228 -10.262 -1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.102 -9.415 -0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.792 -10.558 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.219 -11.483 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.568 -12.331 -0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.434 -11.223 0.423 1.00 0.00 H new ATOM 94 N TYR A 7 -2.049 -7.633 -5.939 1.00 0.00 N ATOM 95 CA TYR A 7 -3.220 -7.829 -6.782 1.00 0.00 C ATOM 96 C TYR A 7 -3.741 -6.504 -7.337 1.00 0.00 C ATOM 97 O TYR A 7 -3.343 -5.409 -6.961 1.00 0.00 O ATOM 98 CB TYR A 7 -4.313 -8.508 -5.953 1.00 0.00 C ATOM 99 CG TYR A 7 -3.880 -9.862 -5.469 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.937 -10.961 -6.318 1.00 0.00 C ATOM 101 CD2 TYR A 7 -3.437 -10.033 -4.163 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.571 -12.221 -5.874 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.065 -11.286 -3.702 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.145 -12.396 -4.555 1.00 0.00 C ATOM 105 OH TYR A 7 -2.794 -13.660 -4.096 1.00 0.00 O ATOM 0 H TYR A 7 -2.088 -6.817 -5.328 1.00 0.00 H new ATOM 0 HA TYR A 7 -2.939 -8.454 -7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.566 -7.880 -5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.217 -8.608 -6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.271 -10.831 -7.337 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.382 -9.181 -3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.615 -13.066 -6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.714 -11.407 -2.688 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.520 -13.603 -3.157 1.00 0.00 H new ATOM 115 N ASP A 8 -4.658 -6.737 -8.294 1.00 0.00 N ATOM 116 CA ASP A 8 -5.353 -5.688 -9.015 1.00 0.00 C ATOM 117 C ASP A 8 -6.567 -5.268 -8.176 1.00 0.00 C ATOM 118 O ASP A 8 -7.353 -6.084 -7.708 1.00 0.00 O ATOM 119 CB ASP A 8 -5.701 -6.174 -10.434 1.00 0.00 C ATOM 120 CG ASP A 8 -6.602 -7.430 -10.454 1.00 0.00 C ATOM 121 OD1 ASP A 8 -6.134 -8.506 -10.074 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.758 -7.314 -10.858 1.00 0.00 O ATOM 0 H ASP A 8 -4.931 -7.677 -8.582 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.731 -4.804 -9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.202 -5.369 -10.972 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.778 -6.391 -10.972 1.00 0.00 H new ATOM 127 N PHE A 9 -6.627 -3.932 -8.004 1.00 0.00 N ATOM 128 CA PHE A 9 -7.668 -3.317 -7.204 1.00 0.00 C ATOM 129 C PHE A 9 -8.213 -2.028 -7.835 1.00 0.00 C ATOM 130 O PHE A 9 -7.569 -1.279 -8.557 1.00 0.00 O ATOM 131 CB PHE A 9 -7.102 -3.016 -5.806 1.00 0.00 C ATOM 132 CG PHE A 9 -8.198 -2.811 -4.796 1.00 0.00 C ATOM 133 CD1 PHE A 9 -9.039 -3.875 -4.506 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.413 -1.588 -4.163 1.00 0.00 C ATOM 135 CE1 PHE A 9 -10.083 -3.727 -3.616 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.462 -1.439 -3.259 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.301 -2.513 -2.986 1.00 0.00 C ATOM 0 H PHE A 9 -5.963 -3.274 -8.412 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.503 -4.015 -7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.462 -3.839 -5.487 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.476 -2.125 -5.851 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.875 -4.830 -4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.763 -0.752 -4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.734 -4.563 -3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.623 -0.489 -2.770 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.117 -2.402 -2.288 1.00 0.00 H new ATOM 147 N LYS A 10 -9.486 -1.876 -7.460 1.00 0.00 N ATOM 148 CA LYS A 10 -10.351 -0.767 -7.817 1.00 0.00 C ATOM 149 C LYS A 10 -11.116 -0.349 -6.543 1.00 0.00 C ATOM 150 O LYS A 10 -11.898 -1.110 -5.985 1.00 0.00 O ATOM 151 CB LYS A 10 -11.251 -1.137 -9.010 1.00 0.00 C ATOM 152 CG LYS A 10 -12.416 -2.099 -8.712 1.00 0.00 C ATOM 153 CD LYS A 10 -11.987 -3.400 -8.017 1.00 0.00 C ATOM 154 CE LYS A 10 -13.158 -4.336 -7.719 1.00 0.00 C ATOM 155 NZ LYS A 10 -14.056 -3.737 -6.737 1.00 0.00 N ATOM 0 H LYS A 10 -9.957 -2.562 -6.870 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.782 0.095 -8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.664 -0.218 -9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.627 -1.584 -9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.146 -1.587 -8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.918 -2.347 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.265 -3.920 -8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.479 -3.156 -7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.704 -4.548 -8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.783 -5.288 -7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.747 -4.447 -6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.505 -3.402 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.557 -2.934 -7.169 1.00 0.00 H new ATOM 169 N ALA A 11 -10.822 0.895 -6.122 1.00 0.00 N ATOM 170 CA ALA A 11 -11.446 1.478 -4.917 1.00 0.00 C ATOM 171 C ALA A 11 -12.985 1.367 -4.882 1.00 0.00 C ATOM 172 O ALA A 11 -13.667 1.139 -5.876 1.00 0.00 O ATOM 173 CB ALA A 11 -11.097 2.960 -4.778 1.00 0.00 C ATOM 0 H ALA A 11 -10.161 1.513 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.040 0.889 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.570 3.363 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.016 3.073 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.456 3.502 -5.653 1.00 0.00 H new ATOM 179 N THR A 12 -13.445 1.576 -3.630 1.00 0.00 N ATOM 180 CA THR A 12 -14.857 1.543 -3.263 1.00 0.00 C ATOM 181 C THR A 12 -15.407 2.945 -2.951 1.00 0.00 C ATOM 182 O THR A 12 -16.613 3.170 -2.923 1.00 0.00 O ATOM 183 CB THR A 12 -14.998 0.674 -1.987 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.576 1.308 -0.737 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.431 -0.748 -2.255 1.00 0.00 C ATOM 0 H THR A 12 -12.828 1.774 -2.842 1.00 0.00 H new ATOM 0 HA THR A 12 -15.420 1.138 -4.103 1.00 0.00 H new ATOM 0 HB THR A 12 -16.063 0.561 -1.784 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.704 0.683 0.007 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.532 -1.355 -1.356 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.985 -1.213 -3.071 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.378 -0.675 -2.527 1.00 0.00 H new ATOM 193 N ALA A 13 -14.442 3.857 -2.717 1.00 0.00 N ATOM 194 CA ALA A 13 -14.778 5.235 -2.375 1.00 0.00 C ATOM 195 C ALA A 13 -13.675 6.198 -2.806 1.00 0.00 C ATOM 196 O ALA A 13 -12.623 5.822 -3.301 1.00 0.00 O ATOM 197 CB ALA A 13 -14.978 5.304 -0.862 1.00 0.00 C ATOM 0 H ALA A 13 -13.442 3.660 -2.760 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.687 5.532 -2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.231 6.325 -0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.787 4.634 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.059 5.003 -0.359 1.00 0.00 H new ATOM 203 N ASP A 14 -14.029 7.471 -2.557 1.00 0.00 N ATOM 204 CA ASP A 14 -13.205 8.626 -2.869 1.00 0.00 C ATOM 205 C ASP A 14 -11.971 8.741 -1.938 1.00 0.00 C ATOM 206 O ASP A 14 -10.958 9.330 -2.294 1.00 0.00 O ATOM 207 CB ASP A 14 -14.160 9.819 -2.760 1.00 0.00 C ATOM 208 CG ASP A 14 -13.561 11.127 -3.311 1.00 0.00 C ATOM 209 OD1 ASP A 14 -12.977 11.100 -4.394 1.00 0.00 O ATOM 210 OD2 ASP A 14 -13.691 12.159 -2.654 1.00 0.00 O ATOM 0 H ASP A 14 -14.918 7.719 -2.123 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.763 8.561 -3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.079 9.591 -3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.433 9.964 -1.715 1.00 0.00 H new ATOM 215 N ASP A 15 -12.117 8.132 -0.740 1.00 0.00 N ATOM 216 CA ASP A 15 -11.043 8.123 0.255 1.00 0.00 C ATOM 217 C ASP A 15 -9.984 7.041 -0.062 1.00 0.00 C ATOM 218 O ASP A 15 -8.836 7.123 0.359 1.00 0.00 O ATOM 219 CB ASP A 15 -11.662 7.954 1.651 1.00 0.00 C ATOM 220 CG ASP A 15 -12.514 6.679 1.809 1.00 0.00 C ATOM 221 OD1 ASP A 15 -11.954 5.627 2.108 1.00 0.00 O ATOM 222 OD2 ASP A 15 -13.731 6.759 1.642 1.00 0.00 O ATOM 0 H ASP A 15 -12.965 7.646 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.509 9.073 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.863 7.939 2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.283 8.823 1.870 1.00 0.00 H new ATOM 227 N GLU A 16 -10.455 6.053 -0.851 1.00 0.00 N ATOM 228 CA GLU A 16 -9.657 4.918 -1.312 1.00 0.00 C ATOM 229 C GLU A 16 -9.199 5.198 -2.755 1.00 0.00 C ATOM 230 O GLU A 16 -9.793 5.983 -3.485 1.00 0.00 O ATOM 231 CB GLU A 16 -10.540 3.651 -1.359 1.00 0.00 C ATOM 232 CG GLU A 16 -10.643 2.920 -0.015 1.00 0.00 C ATOM 233 CD GLU A 16 -11.505 1.640 -0.076 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.566 1.003 -1.130 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.110 1.287 0.935 1.00 0.00 O ATOM 0 H GLU A 16 -11.418 6.029 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.811 4.776 -0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.541 3.929 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.137 2.966 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.641 2.658 0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.065 3.598 0.727 1.00 0.00 H new ATOM 242 N LEU A 17 -8.097 4.501 -3.110 1.00 0.00 N ATOM 243 CA LEU A 17 -7.574 4.634 -4.479 1.00 0.00 C ATOM 244 C LEU A 17 -7.148 3.283 -5.064 1.00 0.00 C ATOM 245 O LEU A 17 -6.926 2.282 -4.393 1.00 0.00 O ATOM 246 CB LEU A 17 -6.570 5.786 -4.649 1.00 0.00 C ATOM 247 CG LEU A 17 -5.211 5.619 -3.953 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.168 4.956 -4.855 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.664 6.988 -3.567 1.00 0.00 C ATOM 0 H LEU A 17 -7.577 3.871 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.403 4.955 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.392 5.929 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.033 6.700 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.383 4.986 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.226 4.862 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.518 3.966 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.016 5.567 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.700 6.868 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.540 7.596 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.361 7.480 -2.888 1.00 0.00 H new ATOM 261 N SER A 18 -7.073 3.389 -6.399 1.00 0.00 N ATOM 262 CA SER A 18 -6.773 2.294 -7.297 1.00 0.00 C ATOM 263 C SER A 18 -5.268 2.079 -7.514 1.00 0.00 C ATOM 264 O SER A 18 -4.443 2.984 -7.488 1.00 0.00 O ATOM 265 CB SER A 18 -7.393 2.728 -8.659 1.00 0.00 C ATOM 266 OG SER A 18 -8.833 3.082 -8.766 1.00 0.00 O ATOM 0 H SER A 18 -7.226 4.272 -6.886 1.00 0.00 H new ATOM 0 HA SER A 18 -7.163 1.363 -6.886 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.825 3.591 -9.008 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.210 1.919 -9.366 1.00 0.00 H new ATOM 0 HG SER A 18 -9.041 3.330 -9.691 1.00 0.00 H new ATOM 272 N PHE A 19 -5.032 0.783 -7.776 1.00 0.00 N ATOM 273 CA PHE A 19 -3.714 0.230 -8.066 1.00 0.00 C ATOM 274 C PHE A 19 -3.957 -1.095 -8.764 1.00 0.00 C ATOM 275 O PHE A 19 -4.900 -1.792 -8.440 1.00 0.00 O ATOM 276 CB PHE A 19 -2.840 0.006 -6.820 1.00 0.00 C ATOM 277 CG PHE A 19 -3.470 -0.850 -5.751 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.294 -2.231 -5.751 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.220 -0.269 -4.731 1.00 0.00 C ATOM 280 CE1 PHE A 19 -3.839 -3.015 -4.747 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.773 -1.053 -3.730 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.581 -2.427 -3.733 1.00 0.00 C ATOM 0 H PHE A 19 -5.773 0.082 -7.791 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.161 0.943 -8.678 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.902 -0.456 -7.130 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.591 0.976 -6.389 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.726 -2.697 -6.543 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.372 0.800 -4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.686 -4.084 -4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.355 -0.593 -2.945 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.007 -3.036 -2.950 1.00 0.00 H new ATOM 292 N LYS A 20 -3.090 -1.388 -9.746 1.00 0.00 N ATOM 293 CA LYS A 20 -3.182 -2.627 -10.499 1.00 0.00 C ATOM 294 C LYS A 20 -2.027 -3.483 -9.986 1.00 0.00 C ATOM 295 O LYS A 20 -1.039 -2.963 -9.490 1.00 0.00 O ATOM 296 CB LYS A 20 -3.018 -2.379 -12.011 1.00 0.00 C ATOM 297 CG LYS A 20 -4.199 -1.652 -12.689 1.00 0.00 C ATOM 298 CD LYS A 20 -4.527 -0.251 -12.147 1.00 0.00 C ATOM 299 CE LYS A 20 -3.325 0.700 -12.117 1.00 0.00 C ATOM 300 NZ LYS A 20 -3.556 1.846 -11.245 1.00 0.00 N ATOM 0 H LYS A 20 -2.323 -0.779 -10.029 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.154 -3.102 -10.366 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.112 -1.794 -12.171 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.870 -3.338 -12.507 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.984 -1.567 -13.754 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.088 -2.275 -12.592 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.312 0.191 -12.761 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.927 -0.347 -11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.442 0.158 -11.777 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.115 1.050 -13.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.626 2.711 -11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.442 1.708 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.766 1.938 -10.575 1.00 0.00 H new ATOM 314 N ARG A 21 -2.222 -4.807 -10.096 1.00 0.00 N ATOM 315 CA ARG A 21 -1.185 -5.746 -9.675 1.00 0.00 C ATOM 316 C ARG A 21 0.210 -5.358 -10.221 1.00 0.00 C ATOM 317 O ARG A 21 0.482 -5.441 -11.412 1.00 0.00 O ATOM 318 CB ARG A 21 -1.546 -7.154 -10.139 1.00 0.00 C ATOM 319 CG ARG A 21 -0.449 -8.148 -9.745 1.00 0.00 C ATOM 320 CD ARG A 21 -0.944 -9.580 -9.704 1.00 0.00 C ATOM 321 NE ARG A 21 -1.483 -9.975 -11.001 1.00 0.00 N ATOM 322 CZ ARG A 21 -0.851 -10.760 -11.896 1.00 0.00 C ATOM 323 NH1 ARG A 21 0.358 -11.259 -11.662 1.00 0.00 N ATOM 324 NH2 ARG A 21 -1.459 -11.035 -13.042 1.00 0.00 N ATOM 0 H ARG A 21 -3.070 -5.238 -10.465 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.133 -5.712 -8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.495 -7.457 -9.696 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.681 -7.163 -11.221 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.375 -8.073 -10.454 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.053 -7.877 -8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.126 -10.245 -9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.713 -9.683 -8.938 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.410 -9.630 -11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.834 -11.051 -10.784 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.810 -11.850 -12.360 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.386 -10.655 -13.232 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.999 -11.627 -13.734 1.00 0.00 H new ATOM 338 N GLY A 22 1.049 -4.953 -9.249 1.00 0.00 N ATOM 339 CA GLY A 22 2.416 -4.551 -9.515 1.00 0.00 C ATOM 340 C GLY A 22 2.701 -3.073 -9.236 1.00 0.00 C ATOM 341 O GLY A 22 3.850 -2.666 -9.370 1.00 0.00 O ATOM 0 H GLY A 22 0.786 -4.900 -8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.086 -5.160 -8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.649 -4.764 -10.558 1.00 0.00 H new ATOM 345 N ASP A 23 1.665 -2.265 -8.853 1.00 0.00 N ATOM 346 CA ASP A 23 2.005 -0.877 -8.606 1.00 0.00 C ATOM 347 C ASP A 23 2.723 -0.777 -7.262 1.00 0.00 C ATOM 348 O ASP A 23 2.401 -1.459 -6.299 1.00 0.00 O ATOM 349 CB ASP A 23 0.799 0.083 -8.564 1.00 0.00 C ATOM 350 CG ASP A 23 -0.059 0.193 -9.839 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.125 -0.573 -10.782 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.915 1.079 -9.877 1.00 0.00 O ATOM 0 H ASP A 23 0.690 -2.536 -8.725 1.00 0.00 H new ATOM 0 HA ASP A 23 2.628 -0.570 -9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.149 -0.227 -7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.168 1.079 -8.319 1.00 0.00 H new ATOM 357 N ILE A 24 3.676 0.167 -7.262 1.00 0.00 N ATOM 358 CA ILE A 24 4.476 0.466 -6.107 1.00 0.00 C ATOM 359 C ILE A 24 3.844 1.686 -5.422 1.00 0.00 C ATOM 360 O ILE A 24 3.608 2.722 -6.032 1.00 0.00 O ATOM 361 CB ILE A 24 5.894 0.725 -6.672 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.940 0.051 -5.802 1.00 0.00 C ATOM 363 CG2 ILE A 24 6.251 2.178 -7.022 1.00 0.00 C ATOM 364 CD1 ILE A 24 7.235 0.767 -4.479 1.00 0.00 C ATOM 0 H ILE A 24 3.900 0.737 -8.077 1.00 0.00 H new ATOM 0 HA ILE A 24 4.531 -0.320 -5.354 1.00 0.00 H new ATOM 0 HB ILE A 24 5.887 0.261 -7.658 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.611 -0.965 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.867 -0.030 -6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.270 2.220 -7.406 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.562 2.550 -7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.175 2.797 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.993 0.212 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.599 1.774 -4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.323 0.824 -3.885 1.00 0.00 H new ATOM 376 N LEU A 25 3.563 1.474 -4.117 1.00 0.00 N ATOM 377 CA LEU A 25 2.946 2.519 -3.317 1.00 0.00 C ATOM 378 C LEU A 25 3.996 3.141 -2.410 1.00 0.00 C ATOM 379 O LEU A 25 5.141 2.709 -2.309 1.00 0.00 O ATOM 380 CB LEU A 25 1.802 1.997 -2.434 1.00 0.00 C ATOM 381 CG LEU A 25 0.795 1.070 -3.096 1.00 0.00 C ATOM 382 CD1 LEU A 25 0.187 1.672 -4.328 1.00 0.00 C ATOM 383 CD2 LEU A 25 1.213 -0.384 -3.358 1.00 0.00 C ATOM 0 H LEU A 25 3.754 0.605 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 25 2.530 3.248 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.240 1.472 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.262 2.855 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 25 0.047 0.979 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.525 0.970 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.329 2.596 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.972 1.888 -5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.391 -0.919 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.084 -0.400 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.462 -0.867 -2.413 1.00 0.00 H new ATOM 395 N LYS A 26 3.452 4.159 -1.728 1.00 0.00 N ATOM 396 CA LYS A 26 4.259 4.953 -0.804 1.00 0.00 C ATOM 397 C LYS A 26 3.530 5.049 0.525 1.00 0.00 C ATOM 398 O LYS A 26 2.573 5.784 0.665 1.00 0.00 O ATOM 399 CB LYS A 26 4.541 6.330 -1.421 1.00 0.00 C ATOM 400 CG LYS A 26 5.549 7.168 -0.619 1.00 0.00 C ATOM 401 CD LYS A 26 7.001 6.716 -0.824 1.00 0.00 C ATOM 402 CE LYS A 26 7.989 7.576 -0.035 1.00 0.00 C ATOM 403 NZ LYS A 26 9.379 7.241 -0.328 1.00 0.00 N ATOM 0 H LYS A 26 2.475 4.445 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 26 5.224 4.479 -0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.919 6.194 -2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.604 6.882 -1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.456 8.215 -0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.302 7.108 0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.103 5.675 -0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.248 6.762 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.816 8.627 -0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.805 7.449 1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.009 7.851 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.555 6.246 -0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.565 7.387 -1.341 1.00 0.00 H new ATOM 417 N VAL A 27 4.085 4.348 1.528 1.00 0.00 N ATOM 418 CA VAL A 27 3.387 4.314 2.805 1.00 0.00 C ATOM 419 C VAL A 27 3.825 5.500 3.660 1.00 0.00 C ATOM 420 O VAL A 27 4.978 5.662 4.041 1.00 0.00 O ATOM 421 CB VAL A 27 3.740 2.967 3.449 1.00 0.00 C ATOM 422 CG1 VAL A 27 3.404 2.884 4.945 1.00 0.00 C ATOM 423 CG2 VAL A 27 3.061 1.823 2.680 1.00 0.00 C ATOM 0 H VAL A 27 4.962 3.829 1.481 1.00 0.00 H new ATOM 0 HA VAL A 27 2.306 4.398 2.694 1.00 0.00 H new ATOM 0 HB VAL A 27 4.824 2.870 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.683 1.902 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.956 3.653 5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.334 3.038 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.317 0.870 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.980 1.960 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.404 1.826 1.645 1.00 0.00 H new ATOM 433 N LEU A 28 2.781 6.321 3.888 1.00 0.00 N ATOM 434 CA LEU A 28 2.897 7.539 4.667 1.00 0.00 C ATOM 435 C LEU A 28 2.540 7.271 6.139 1.00 0.00 C ATOM 436 O LEU A 28 3.315 7.564 7.040 1.00 0.00 O ATOM 437 CB LEU A 28 1.979 8.594 4.022 1.00 0.00 C ATOM 438 CG LEU A 28 2.054 9.984 4.675 1.00 0.00 C ATOM 439 CD1 LEU A 28 3.460 10.591 4.605 1.00 0.00 C ATOM 440 CD2 LEU A 28 1.023 10.926 4.036 1.00 0.00 C ATOM 0 H LEU A 28 1.841 6.146 3.532 1.00 0.00 H new ATOM 0 HA LEU A 28 3.922 7.910 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.237 8.687 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.949 8.239 4.068 1.00 0.00 H new ATOM 0 HG LEU A 28 1.819 9.858 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.457 11.572 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.164 9.939 5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.760 10.694 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.086 11.907 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.229 11.021 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.022 10.519 4.177 1.00 0.00 H new ATOM 452 N ASN A 29 1.326 6.693 6.310 1.00 0.00 N ATOM 453 CA ASN A 29 0.815 6.399 7.651 1.00 0.00 C ATOM 454 C ASN A 29 0.150 5.017 7.714 1.00 0.00 C ATOM 455 O ASN A 29 -0.381 4.485 6.746 1.00 0.00 O ATOM 456 CB ASN A 29 -0.226 7.460 8.048 1.00 0.00 C ATOM 457 CG ASN A 29 0.386 8.866 8.061 1.00 0.00 C ATOM 458 OD1 ASN A 29 1.329 9.149 8.787 1.00 0.00 O ATOM 459 ND2 ASN A 29 -0.207 9.728 7.222 1.00 0.00 N ATOM 0 H ASN A 29 0.702 6.430 5.548 1.00 0.00 H new ATOM 0 HA ASN A 29 1.662 6.410 8.337 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.062 7.432 7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.627 7.227 9.034 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.125 10.690 7.161 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.990 9.421 6.645 1.00 0.00 H new ATOM 466 N GLU A 30 0.221 4.498 8.957 1.00 0.00 N ATOM 467 CA GLU A 30 -0.346 3.206 9.320 1.00 0.00 C ATOM 468 C GLU A 30 -0.843 3.331 10.780 1.00 0.00 C ATOM 469 O GLU A 30 -1.041 4.428 11.286 1.00 0.00 O ATOM 470 CB GLU A 30 0.698 2.081 9.146 1.00 0.00 C ATOM 471 CG GLU A 30 1.388 2.067 7.769 1.00 0.00 C ATOM 472 CD GLU A 30 2.275 0.823 7.566 1.00 0.00 C ATOM 473 OE1 GLU A 30 2.880 0.355 8.528 1.00 0.00 O ATOM 474 OE2 GLU A 30 2.347 0.330 6.442 1.00 0.00 O ATOM 0 H GLU A 30 0.679 4.975 9.734 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.178 2.938 8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.459 2.184 9.920 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.209 1.120 9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.630 2.101 6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.997 2.965 7.662 1.00 0.00 H new ATOM 481 N GLU A 31 -1.028 2.144 11.407 1.00 0.00 N ATOM 482 CA GLU A 31 -1.489 1.978 12.795 1.00 0.00 C ATOM 483 C GLU A 31 -2.735 2.810 13.166 1.00 0.00 C ATOM 484 O GLU A 31 -2.926 3.217 14.306 1.00 0.00 O ATOM 485 CB GLU A 31 -0.352 2.072 13.812 1.00 0.00 C ATOM 486 CG GLU A 31 0.268 3.459 13.820 1.00 0.00 C ATOM 487 CD GLU A 31 1.201 3.682 15.023 1.00 0.00 C ATOM 488 OE1 GLU A 31 2.177 2.945 15.157 1.00 0.00 O ATOM 489 OE2 GLU A 31 0.943 4.592 15.812 1.00 0.00 O ATOM 0 H GLU A 31 -0.854 1.253 10.942 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.849 0.951 12.849 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.730 1.835 14.806 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.412 1.331 13.576 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.829 3.608 12.897 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.524 4.207 13.836 1.00 0.00 H new ATOM 496 N CYS A 32 -3.567 3.010 12.129 1.00 0.00 N ATOM 497 CA CYS A 32 -4.818 3.756 12.255 1.00 0.00 C ATOM 498 C CYS A 32 -5.997 2.801 12.022 1.00 0.00 C ATOM 499 O CYS A 32 -7.083 2.964 12.559 1.00 0.00 O ATOM 500 CB CYS A 32 -4.832 4.905 11.238 1.00 0.00 C ATOM 501 SG CYS A 32 -3.617 6.193 11.618 1.00 0.00 S ATOM 0 H CYS A 32 -3.387 2.659 11.188 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.905 4.182 13.255 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.633 4.506 10.243 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.828 5.348 11.211 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.419 5.694 11.547 1.00 0.00 H new ATOM 507 N ASP A 33 -5.678 1.782 11.202 1.00 0.00 N ATOM 508 CA ASP A 33 -6.607 0.741 10.805 1.00 0.00 C ATOM 509 C ASP A 33 -5.787 -0.543 10.601 1.00 0.00 C ATOM 510 O ASP A 33 -4.714 -0.527 10.009 1.00 0.00 O ATOM 511 CB ASP A 33 -7.367 1.166 9.523 1.00 0.00 C ATOM 512 CG ASP A 33 -6.680 2.301 8.718 1.00 0.00 C ATOM 513 OD1 ASP A 33 -5.507 2.169 8.369 1.00 0.00 O ATOM 514 OD2 ASP A 33 -7.331 3.313 8.461 1.00 0.00 O ATOM 0 H ASP A 33 -4.749 1.669 10.797 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.366 0.567 11.567 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.480 0.296 8.877 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.370 1.490 9.800 1.00 0.00 H new ATOM 519 N GLN A 34 -6.347 -1.647 11.144 1.00 0.00 N ATOM 520 CA GLN A 34 -5.699 -2.954 11.044 1.00 0.00 C ATOM 521 C GLN A 34 -6.492 -3.840 10.087 1.00 0.00 C ATOM 522 O GLN A 34 -7.046 -4.867 10.450 1.00 0.00 O ATOM 523 CB GLN A 34 -5.549 -3.608 12.420 1.00 0.00 C ATOM 524 CG GLN A 34 -4.590 -2.830 13.335 1.00 0.00 C ATOM 525 CD GLN A 34 -5.232 -1.581 13.958 1.00 0.00 C ATOM 526 OE1 GLN A 34 -4.808 -0.455 13.729 1.00 0.00 O ATOM 527 NE2 GLN A 34 -6.269 -1.851 14.764 1.00 0.00 N ATOM 0 H GLN A 34 -7.234 -1.650 11.647 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.692 -2.821 10.648 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.527 -3.675 12.896 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.183 -4.627 12.297 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.243 -3.488 14.131 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.712 -2.532 12.762 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.566 -2.816 14.907 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.761 -1.091 15.234 1.00 0.00 H new ATOM 536 N ASN A 35 -6.461 -3.343 8.840 1.00 0.00 N ATOM 537 CA ASN A 35 -7.136 -3.909 7.689 1.00 0.00 C ATOM 538 C ASN A 35 -6.820 -3.041 6.450 1.00 0.00 C ATOM 539 O ASN A 35 -6.877 -3.528 5.329 1.00 0.00 O ATOM 540 CB ASN A 35 -8.658 -3.913 7.925 1.00 0.00 C ATOM 541 CG ASN A 35 -9.181 -5.127 8.687 1.00 0.00 C ATOM 542 OD1 ASN A 35 -8.867 -6.258 8.065 1.00 0.00 O flip ATOM 543 ND2 ASN A 35 -9.816 -5.037 9.729 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.938 -2.498 8.610 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.793 -4.932 7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.929 -3.012 8.474 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.162 -3.862 6.960 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.008 -4.120 10.132 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.153 -5.879 10.195 1.00 0.00 H new ATOM 550 N TRP A 36 -6.456 -1.756 6.711 1.00 0.00 N ATOM 551 CA TRP A 36 -6.138 -0.797 5.650 1.00 0.00 C ATOM 552 C TRP A 36 -4.825 -0.058 6.005 1.00 0.00 C ATOM 553 O TRP A 36 -4.360 -0.058 7.137 1.00 0.00 O ATOM 554 CB TRP A 36 -7.318 0.205 5.508 1.00 0.00 C ATOM 555 CG TRP A 36 -8.577 -0.545 5.111 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.387 -1.302 5.967 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.111 -0.737 3.784 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.335 -1.943 5.248 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.202 -1.625 3.907 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.770 -0.252 2.551 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.900 -2.006 2.800 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.483 -0.637 1.416 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.554 -1.518 1.540 1.00 0.00 C ATOM 0 H TRP A 36 -6.379 -1.373 7.653 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.997 -1.312 4.700 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.477 0.731 6.449 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.080 0.959 4.758 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.272 -1.364 7.039 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.042 -2.567 5.635 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.942 0.435 2.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.728 -2.692 2.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.206 -0.254 0.445 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.113 -1.821 0.667 1.00 0.00 H new ATOM 574 N TYR A 37 -4.268 0.534 4.930 1.00 0.00 N ATOM 575 CA TYR A 37 -3.038 1.327 4.953 1.00 0.00 C ATOM 576 C TYR A 37 -3.297 2.627 4.185 1.00 0.00 C ATOM 577 O TYR A 37 -4.035 2.639 3.210 1.00 0.00 O ATOM 578 CB TYR A 37 -1.925 0.642 4.132 1.00 0.00 C ATOM 579 CG TYR A 37 -1.217 -0.492 4.812 1.00 0.00 C ATOM 580 CD1 TYR A 37 -0.824 -0.406 6.138 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.903 -1.633 4.087 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.127 -1.442 6.739 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.212 -2.681 4.672 1.00 0.00 C ATOM 584 CZ TYR A 37 0.172 -2.599 6.013 1.00 0.00 C ATOM 585 OH TYR A 37 0.849 -3.656 6.611 1.00 0.00 O ATOM 0 H TYR A 37 -4.679 0.468 3.999 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.751 1.463 5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.360 0.270 3.205 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.186 1.395 3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.064 0.478 6.710 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.202 -1.705 3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.186 -1.356 7.769 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.030 -3.560 4.093 1.00 0.00 H new ATOM 0 HH TYR A 37 0.999 -4.364 5.950 1.00 0.00 H new ATOM 595 N LYS A 38 -2.629 3.698 4.665 1.00 0.00 N ATOM 596 CA LYS A 38 -2.716 4.993 4.002 1.00 0.00 C ATOM 597 C LYS A 38 -1.379 5.162 3.255 1.00 0.00 C ATOM 598 O LYS A 38 -0.329 5.318 3.873 1.00 0.00 O ATOM 599 CB LYS A 38 -2.963 6.109 5.029 1.00 0.00 C ATOM 600 CG LYS A 38 -3.274 7.449 4.366 1.00 0.00 C ATOM 601 CD LYS A 38 -3.783 8.488 5.368 1.00 0.00 C ATOM 602 CE LYS A 38 -4.169 9.784 4.657 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.707 10.817 5.536 1.00 0.00 N ATOM 0 H LYS A 38 -2.037 3.682 5.495 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.552 5.050 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.792 5.826 5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.084 6.216 5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.376 7.828 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.022 7.302 3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.645 8.091 5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.012 8.691 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.291 10.180 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.908 9.556 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.943 11.661 4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.565 10.462 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.997 11.066 6.255 1.00 0.00 H new ATOM 617 N ALA A 39 -1.477 5.105 1.901 1.00 0.00 N ATOM 618 CA ALA A 39 -0.282 5.214 1.060 1.00 0.00 C ATOM 619 C ALA A 39 -0.548 6.180 -0.105 1.00 0.00 C ATOM 620 O ALA A 39 -1.621 6.760 -0.177 1.00 0.00 O ATOM 621 CB ALA A 39 0.115 3.812 0.586 1.00 0.00 C ATOM 0 H ALA A 39 -2.352 4.987 1.390 1.00 0.00 H new ATOM 0 HA ALA A 39 0.553 5.627 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.004 3.878 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.327 3.182 1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.703 3.377 0.012 1.00 0.00 H new ATOM 627 N GLU A 40 0.454 6.324 -1.017 1.00 0.00 N ATOM 628 CA GLU A 40 0.272 7.270 -2.122 1.00 0.00 C ATOM 629 C GLU A 40 0.689 6.685 -3.486 1.00 0.00 C ATOM 630 O GLU A 40 1.617 5.895 -3.619 1.00 0.00 O ATOM 631 CB GLU A 40 1.016 8.569 -1.743 1.00 0.00 C ATOM 632 CG GLU A 40 0.720 9.799 -2.626 1.00 0.00 C ATOM 633 CD GLU A 40 1.477 9.794 -3.970 1.00 0.00 C ATOM 634 OE1 GLU A 40 2.683 9.545 -3.968 1.00 0.00 O ATOM 635 OE2 GLU A 40 0.851 10.044 -5.002 1.00 0.00 O ATOM 0 H GLU A 40 1.342 5.823 -1.004 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.786 7.492 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.768 8.819 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.088 8.373 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.351 9.845 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.982 10.702 -2.075 1.00 0.00 H new ATOM 642 N LEU A 41 -0.100 7.172 -4.467 1.00 0.00 N ATOM 643 CA LEU A 41 0.002 6.863 -5.890 1.00 0.00 C ATOM 644 C LEU A 41 -0.693 7.880 -6.770 1.00 0.00 C ATOM 645 O LEU A 41 -1.789 8.351 -6.499 1.00 0.00 O ATOM 646 CB LEU A 41 -0.863 5.642 -6.255 1.00 0.00 C ATOM 647 CG LEU A 41 -0.228 4.275 -6.176 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.375 3.272 -6.220 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.657 4.064 -7.411 1.00 0.00 C ATOM 0 H LEU A 41 -0.860 7.823 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 41 1.077 6.774 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.735 5.643 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.227 5.783 -7.273 1.00 0.00 H new ATOM 0 HG LEU A 41 0.377 4.163 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.975 2.259 -6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.042 3.444 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.929 3.394 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.120 3.079 -7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.047 4.135 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.433 4.829 -7.437 1.00 0.00 H new ATOM 661 N ASN A 42 -0.004 8.083 -7.908 1.00 0.00 N ATOM 662 CA ASN A 42 -0.580 8.869 -8.981 1.00 0.00 C ATOM 663 C ASN A 42 -0.997 10.306 -8.595 1.00 0.00 C ATOM 664 O ASN A 42 -1.931 10.864 -9.158 1.00 0.00 O ATOM 665 CB ASN A 42 -1.756 7.967 -9.444 1.00 0.00 C ATOM 666 CG ASN A 42 -1.857 7.810 -10.952 1.00 0.00 C ATOM 667 OD1 ASN A 42 -2.302 8.689 -11.678 1.00 0.00 O ATOM 668 ND2 ASN A 42 -1.410 6.604 -11.350 1.00 0.00 N ATOM 0 H ASN A 42 0.930 7.717 -8.094 1.00 0.00 H new ATOM 0 HA ASN A 42 0.139 9.089 -9.770 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.644 6.981 -8.993 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.690 8.385 -9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.424 6.356 -12.339 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.057 5.939 -10.662 1.00 0.00 H new ATOM 675 N GLY A 43 -0.253 10.852 -7.608 1.00 0.00 N ATOM 676 CA GLY A 43 -0.507 12.202 -7.104 1.00 0.00 C ATOM 677 C GLY A 43 -1.661 12.281 -6.096 1.00 0.00 C ATOM 678 O GLY A 43 -2.097 13.367 -5.736 1.00 0.00 O ATOM 0 H GLY A 43 0.524 10.373 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.400 12.580 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.727 12.858 -7.946 1.00 0.00 H new ATOM 682 N LYS A 44 -2.144 11.090 -5.679 1.00 0.00 N ATOM 683 CA LYS A 44 -3.252 10.998 -4.751 1.00 0.00 C ATOM 684 C LYS A 44 -2.947 9.939 -3.683 1.00 0.00 C ATOM 685 O LYS A 44 -2.456 8.856 -3.968 1.00 0.00 O ATOM 686 CB LYS A 44 -4.505 10.630 -5.568 1.00 0.00 C ATOM 687 CG LYS A 44 -5.135 11.859 -6.257 1.00 0.00 C ATOM 688 CD LYS A 44 -4.721 12.128 -7.716 1.00 0.00 C ATOM 689 CE LYS A 44 -5.365 11.195 -8.748 1.00 0.00 C ATOM 690 NZ LYS A 44 -4.628 9.952 -8.927 1.00 0.00 N ATOM 0 H LYS A 44 -1.772 10.189 -5.980 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.416 11.943 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.240 9.889 -6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.241 10.167 -4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.219 11.746 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.890 12.742 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.976 13.157 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.637 12.040 -7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.384 10.965 -8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.433 11.712 -9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.823 9.566 -9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.609 10.136 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.925 9.265 -8.205 1.00 0.00 H new ATOM 704 N ASP A 45 -3.255 10.344 -2.437 1.00 0.00 N ATOM 705 CA ASP A 45 -3.099 9.503 -1.261 1.00 0.00 C ATOM 706 C ASP A 45 -4.500 8.909 -0.988 1.00 0.00 C ATOM 707 O ASP A 45 -5.519 9.551 -1.217 1.00 0.00 O ATOM 708 CB ASP A 45 -2.583 10.381 -0.099 1.00 0.00 C ATOM 709 CG ASP A 45 -2.458 9.632 1.246 1.00 0.00 C ATOM 710 OD1 ASP A 45 -3.480 9.183 1.763 1.00 0.00 O ATOM 711 OD2 ASP A 45 -1.353 9.524 1.778 1.00 0.00 O ATOM 0 H ASP A 45 -3.621 11.273 -2.229 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.379 8.695 -1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.608 10.787 -0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.257 11.228 0.030 1.00 0.00 H new ATOM 716 N GLY A 46 -4.482 7.648 -0.519 1.00 0.00 N ATOM 717 CA GLY A 46 -5.737 6.953 -0.238 1.00 0.00 C ATOM 718 C GLY A 46 -5.511 5.609 0.439 1.00 0.00 C ATOM 719 O GLY A 46 -4.397 5.107 0.540 1.00 0.00 O ATOM 0 H GLY A 46 -3.636 7.109 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.362 7.578 0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.283 6.802 -1.169 1.00 0.00 H new ATOM 723 N PHE A 47 -6.658 5.060 0.885 1.00 0.00 N ATOM 724 CA PHE A 47 -6.648 3.768 1.557 1.00 0.00 C ATOM 725 C PHE A 47 -6.587 2.614 0.543 1.00 0.00 C ATOM 726 O PHE A 47 -7.170 2.644 -0.536 1.00 0.00 O ATOM 727 CB PHE A 47 -7.885 3.647 2.450 1.00 0.00 C ATOM 728 CG PHE A 47 -7.850 4.686 3.535 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.043 4.508 4.653 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.605 5.846 3.421 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.985 5.482 5.640 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.545 6.825 4.400 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.736 6.644 5.514 1.00 0.00 C ATOM 0 H PHE A 47 -7.579 5.488 0.790 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.754 3.702 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.787 3.768 1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.927 2.651 2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.458 3.606 4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.244 5.986 2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.356 5.337 6.506 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.127 7.729 4.297 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.691 7.404 6.280 1.00 0.00 H new ATOM 743 N ILE A 48 -5.814 1.610 0.997 1.00 0.00 N ATOM 744 CA ILE A 48 -5.574 0.373 0.266 1.00 0.00 C ATOM 745 C ILE A 48 -5.630 -0.764 1.312 1.00 0.00 C ATOM 746 O ILE A 48 -5.186 -0.569 2.435 1.00 0.00 O ATOM 747 CB ILE A 48 -4.213 0.443 -0.465 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.012 0.535 0.504 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.190 1.596 -1.486 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.654 0.598 -0.202 1.00 0.00 C ATOM 0 H ILE A 48 -5.336 1.646 1.897 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.320 0.198 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.104 -0.498 -1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.128 1.420 1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.026 -0.329 1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.221 1.621 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.975 1.442 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.357 2.542 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.860 0.661 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.516 -0.299 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.619 1.477 -0.846 1.00 0.00 H new ATOM 762 N PRO A 49 -6.195 -1.950 0.951 1.00 0.00 N ATOM 763 CA PRO A 49 -6.273 -3.074 1.889 1.00 0.00 C ATOM 764 C PRO A 49 -4.901 -3.719 2.141 1.00 0.00 C ATOM 765 O PRO A 49 -4.083 -3.825 1.235 1.00 0.00 O ATOM 766 CB PRO A 49 -7.224 -4.086 1.236 1.00 0.00 C ATOM 767 CG PRO A 49 -7.600 -3.525 -0.138 1.00 0.00 C ATOM 768 CD PRO A 49 -6.801 -2.240 -0.345 1.00 0.00 C ATOM 0 HA PRO A 49 -6.626 -2.736 2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.743 -5.059 1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.113 -4.231 1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.373 -4.248 -0.922 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.670 -3.323 -0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.040 -2.370 -1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.446 -1.423 -0.669 1.00 0.00 H new ATOM 776 N LYS A 50 -4.711 -4.180 3.401 1.00 0.00 N ATOM 777 CA LYS A 50 -3.418 -4.806 3.721 1.00 0.00 C ATOM 778 C LYS A 50 -3.249 -6.189 3.055 1.00 0.00 C ATOM 779 O LYS A 50 -2.146 -6.654 2.817 1.00 0.00 O ATOM 780 CB LYS A 50 -3.377 -5.041 5.235 1.00 0.00 C ATOM 781 CG LYS A 50 -3.434 -3.740 6.022 1.00 0.00 C ATOM 782 CD LYS A 50 -3.433 -3.966 7.536 1.00 0.00 C ATOM 783 CE LYS A 50 -3.111 -2.671 8.278 1.00 0.00 C ATOM 784 NZ LYS A 50 -2.504 -2.858 9.589 1.00 0.00 N ATOM 0 H LYS A 50 -5.389 -4.134 4.162 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.630 -4.144 3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.214 -5.676 5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.465 -5.579 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.581 -3.118 5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.332 -3.189 5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.407 -4.339 7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.699 -4.730 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.439 -2.073 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.030 -2.097 8.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.685 -2.020 10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.915 -3.697 10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.478 -2.990 9.481 1.00 0.00 H new ATOM 798 N ASN A 51 -4.410 -6.798 2.759 1.00 0.00 N ATOM 799 CA ASN A 51 -4.472 -8.116 2.125 1.00 0.00 C ATOM 800 C ASN A 51 -4.174 -8.073 0.611 1.00 0.00 C ATOM 801 O ASN A 51 -3.826 -9.089 0.022 1.00 0.00 O ATOM 802 CB ASN A 51 -5.765 -8.850 2.482 1.00 0.00 C ATOM 803 CG ASN A 51 -6.970 -7.957 2.258 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.114 -6.908 2.866 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.821 -8.434 1.355 1.00 0.00 N ATOM 0 H ASN A 51 -5.324 -6.389 2.953 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.661 -8.712 2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.857 -9.751 1.875 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.732 -9.169 3.524 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.668 -7.913 1.127 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.627 -9.321 0.890 1.00 0.00 H new ATOM 812 N TYR A 52 -4.252 -6.853 0.029 1.00 0.00 N ATOM 813 CA TYR A 52 -3.953 -6.732 -1.401 1.00 0.00 C ATOM 814 C TYR A 52 -2.473 -6.357 -1.690 1.00 0.00 C ATOM 815 O TYR A 52 -2.085 -6.344 -2.851 1.00 0.00 O ATOM 816 CB TYR A 52 -4.897 -5.679 -2.015 1.00 0.00 C ATOM 817 CG TYR A 52 -6.170 -6.307 -2.520 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.110 -6.845 -1.652 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.401 -6.389 -3.885 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.238 -7.485 -2.142 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.515 -7.038 -4.392 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.456 -7.609 -3.519 1.00 0.00 C ATOM 823 OH TYR A 52 -9.556 -8.349 -3.964 1.00 0.00 O ATOM 0 H TYR A 52 -4.506 -5.987 0.504 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.111 -7.710 -1.856 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.135 -4.922 -1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.391 -5.169 -2.835 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.961 -6.764 -0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.697 -5.937 -4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.960 -7.894 -1.451 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.660 -7.105 -5.460 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.926 -8.866 -3.218 1.00 0.00 H new ATOM 833 N ILE A 53 -1.672 -6.073 -0.629 1.00 0.00 N ATOM 834 CA ILE A 53 -0.245 -5.724 -0.816 1.00 0.00 C ATOM 835 C ILE A 53 0.665 -6.560 0.115 1.00 0.00 C ATOM 836 O ILE A 53 0.248 -7.169 1.091 1.00 0.00 O ATOM 837 CB ILE A 53 0.012 -4.188 -0.694 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.205 -3.783 0.223 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.259 -3.409 -0.320 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.372 -2.294 0.383 1.00 0.00 C ATOM 0 H ILE A 53 -1.984 -6.079 0.342 1.00 0.00 H new ATOM 0 HA ILE A 53 0.023 -5.987 -1.839 1.00 0.00 H new ATOM 0 HB ILE A 53 0.314 -3.899 -1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.063 -4.231 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.124 -4.200 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.027 -2.347 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.019 -3.563 -1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.634 -3.764 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.222 -2.091 1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.546 -1.840 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.469 -1.872 0.823 1.00 0.00 H new ATOM 852 N GLU A 54 1.944 -6.512 -0.315 1.00 0.00 N ATOM 853 CA GLU A 54 3.118 -7.096 0.307 1.00 0.00 C ATOM 854 C GLU A 54 3.961 -5.919 0.844 1.00 0.00 C ATOM 855 O GLU A 54 4.423 -5.085 0.074 1.00 0.00 O ATOM 856 CB GLU A 54 3.935 -7.812 -0.774 1.00 0.00 C ATOM 857 CG GLU A 54 5.233 -8.449 -0.246 1.00 0.00 C ATOM 858 CD GLU A 54 6.078 -8.980 -1.412 1.00 0.00 C ATOM 859 OE1 GLU A 54 5.766 -10.053 -1.923 1.00 0.00 O ATOM 860 OE2 GLU A 54 7.038 -8.314 -1.798 1.00 0.00 O ATOM 0 H GLU A 54 2.185 -6.021 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 54 2.847 -7.797 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.319 -8.587 -1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.184 -7.100 -1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.804 -7.713 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.994 -9.262 0.439 1.00 0.00 H new ATOM 867 N MET A 55 4.141 -5.897 2.178 1.00 0.00 N ATOM 868 CA MET A 55 4.937 -4.834 2.787 1.00 0.00 C ATOM 869 C MET A 55 6.414 -5.252 2.818 1.00 0.00 C ATOM 870 O MET A 55 6.763 -6.421 2.723 1.00 0.00 O ATOM 871 CB MET A 55 4.475 -4.561 4.219 1.00 0.00 C ATOM 872 CG MET A 55 3.030 -4.073 4.305 1.00 0.00 C ATOM 873 SD MET A 55 1.810 -5.360 3.948 1.00 0.00 S ATOM 874 CE MET A 55 2.296 -6.611 5.152 1.00 0.00 C ATOM 0 H MET A 55 3.758 -6.582 2.830 1.00 0.00 H new ATOM 0 HA MET A 55 4.810 -3.929 2.192 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.579 -5.473 4.807 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.130 -3.815 4.669 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.847 -3.678 5.304 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.891 -3.248 3.606 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.417 -7.175 5.466 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.020 -7.289 4.700 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.745 -6.126 6.019 1.00 0.00 H new ATOM 884 N LYS A 56 7.242 -4.199 2.999 1.00 0.00 N ATOM 885 CA LYS A 56 8.695 -4.337 3.054 1.00 0.00 C ATOM 886 C LYS A 56 9.265 -3.162 3.899 1.00 0.00 C ATOM 887 O LYS A 56 9.651 -2.127 3.365 1.00 0.00 O ATOM 888 CB LYS A 56 9.289 -4.251 1.629 1.00 0.00 C ATOM 889 CG LYS A 56 8.718 -5.200 0.561 1.00 0.00 C ATOM 890 CD LYS A 56 9.110 -6.673 0.745 1.00 0.00 C ATOM 891 CE LYS A 56 10.547 -6.967 0.304 1.00 0.00 C ATOM 892 NZ LYS A 56 10.821 -8.401 0.279 1.00 0.00 N ATOM 0 H LYS A 56 6.914 -3.240 3.109 1.00 0.00 H new ATOM 0 HA LYS A 56 8.954 -5.299 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.161 -3.229 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.361 -4.432 1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.631 -5.123 0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.055 -4.867 -0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.994 -6.946 1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.425 -7.300 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.717 -6.547 -0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.244 -6.475 0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.803 -8.562 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.683 -8.797 1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.172 -8.867 -0.387 1.00 0.00 H new ATOM 906 N PRO A 57 9.276 -3.351 5.255 1.00 0.00 N ATOM 907 CA PRO A 57 9.801 -2.331 6.177 1.00 0.00 C ATOM 908 C PRO A 57 11.330 -2.111 6.044 1.00 0.00 C ATOM 909 O PRO A 57 11.926 -2.277 4.988 1.00 0.00 O ATOM 910 CB PRO A 57 9.416 -2.894 7.571 1.00 0.00 C ATOM 911 CG PRO A 57 8.333 -3.940 7.327 1.00 0.00 C ATOM 912 CD PRO A 57 8.657 -4.488 5.943 1.00 0.00 C ATOM 0 HA PRO A 57 9.388 -1.342 5.976 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.281 -3.338 8.063 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.050 -2.101 8.223 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.358 -4.725 8.083 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.337 -3.498 7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.335 -5.340 5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.759 -4.828 5.427 1.00 0.00 H new TER 920 PRO A 57 HETATM 921 C ACE B 0 -8.146 -13.678 -10.088 1.00 0.00 C HETATM 922 O ACE B 0 -8.812 -12.774 -10.573 1.00 0.00 O HETATM 923 CH3 ACE B 0 -6.851 -14.164 -10.739 1.00 0.00 C HETATM 0 H1 ACE B 0 -6.022 -14.031 -10.044 1.00 0.00 H new HETATM 0 H2 ACE B 0 -6.945 -15.220 -10.993 1.00 0.00 H new HETATM 0 H3 ACE B 0 -6.661 -13.589 -11.645 1.00 0.00 H new ATOM 927 N VAL B 1 -8.421 -14.325 -8.938 1.00 0.00 N ATOM 928 CA VAL B 1 -9.503 -13.945 -8.035 1.00 0.00 C ATOM 929 C VAL B 1 -8.870 -13.607 -6.666 1.00 0.00 C ATOM 930 O VAL B 1 -8.679 -14.474 -5.823 1.00 0.00 O ATOM 931 CB VAL B 1 -10.540 -15.085 -7.982 1.00 0.00 C ATOM 932 CG1 VAL B 1 -9.989 -16.449 -7.530 1.00 0.00 C ATOM 933 CG2 VAL B 1 -11.773 -14.685 -7.155 1.00 0.00 C ATOM 0 H VAL B 1 -7.888 -15.132 -8.615 1.00 0.00 H new ATOM 0 HA VAL B 1 -10.044 -13.062 -8.376 1.00 0.00 H new ATOM 0 HB VAL B 1 -10.838 -15.232 -9.020 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -10.794 -17.183 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -9.207 -16.772 -8.218 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -9.574 -16.359 -6.526 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -12.484 -15.511 -7.138 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -11.467 -14.449 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -12.244 -13.810 -7.604 1.00 0.00 H new ATOM 943 N PRO B 2 -8.529 -12.304 -6.461 1.00 0.00 N ATOM 944 CA PRO B 2 -7.896 -11.900 -5.215 1.00 0.00 C ATOM 945 C PRO B 2 -8.826 -11.922 -3.973 1.00 0.00 C ATOM 946 O PRO B 2 -10.043 -11.990 -4.083 1.00 0.00 O ATOM 947 CB PRO B 2 -7.381 -10.486 -5.491 1.00 0.00 C ATOM 948 CG PRO B 2 -7.823 -10.067 -6.894 1.00 0.00 C ATOM 949 CD PRO B 2 -8.690 -11.206 -7.420 1.00 0.00 C ATOM 0 HA PRO B 2 -7.113 -12.610 -4.950 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -7.772 -9.790 -4.748 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.294 -10.458 -5.413 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.383 -9.132 -6.864 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.962 -9.902 -7.541 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.734 -10.901 -7.494 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.375 -11.509 -8.418 1.00 0.00 H new ATOM 957 N PRO B 3 -8.158 -11.869 -2.779 1.00 0.00 N ATOM 958 CA PRO B 3 -8.785 -11.866 -1.460 1.00 0.00 C ATOM 959 C PRO B 3 -10.046 -11.002 -1.256 1.00 0.00 C ATOM 960 O PRO B 3 -10.264 -10.014 -1.941 1.00 0.00 O ATOM 961 CB PRO B 3 -7.674 -11.253 -0.588 1.00 0.00 C ATOM 962 CG PRO B 3 -6.358 -11.697 -1.212 1.00 0.00 C ATOM 963 CD PRO B 3 -6.697 -11.920 -2.682 1.00 0.00 C ATOM 0 HA PRO B 3 -9.137 -12.875 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.749 -10.166 -0.568 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.753 -11.597 0.443 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.585 -10.938 -1.092 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.984 -12.609 -0.747 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.239 -11.154 -3.307 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.318 -12.882 -3.027 1.00 0.00 H new ATOM 971 N PRO B 4 -10.868 -11.404 -0.244 1.00 0.00 N ATOM 972 CA PRO B 4 -12.057 -10.646 0.133 1.00 0.00 C ATOM 973 C PRO B 4 -11.548 -9.446 0.926 1.00 0.00 C ATOM 974 O PRO B 4 -10.852 -9.558 1.928 1.00 0.00 O ATOM 975 CB PRO B 4 -12.842 -11.609 1.028 1.00 0.00 C ATOM 976 CG PRO B 4 -11.777 -12.530 1.631 1.00 0.00 C ATOM 977 CD PRO B 4 -10.665 -12.592 0.581 1.00 0.00 C ATOM 0 HA PRO B 4 -12.677 -10.293 -0.692 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.388 -11.073 1.804 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.576 -12.174 0.454 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.405 -12.136 2.577 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.182 -13.521 1.835 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.680 -12.587 1.047 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.732 -13.503 -0.013 1.00 0.00 H new ATOM 985 N VAL B 5 -11.918 -8.298 0.357 1.00 0.00 N ATOM 986 CA VAL B 5 -11.486 -7.045 0.919 1.00 0.00 C ATOM 987 C VAL B 5 -12.152 -6.801 2.293 1.00 0.00 C ATOM 988 O VAL B 5 -13.346 -7.034 2.448 1.00 0.00 O ATOM 989 CB VAL B 5 -11.737 -5.925 -0.062 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.768 -4.764 0.201 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.589 -6.295 -1.531 1.00 0.00 C ATOM 0 H VAL B 5 -12.504 -8.222 -0.475 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.412 -7.080 1.100 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.780 -5.659 0.106 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -10.959 -3.962 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.915 -4.390 1.214 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.742 -5.114 0.088 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.791 -5.420 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.574 -6.645 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.297 -7.086 -1.780 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.349 -6.338 3.288 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.872 -6.075 4.624 1.00 0.00 C ATOM 1003 C PRO B 6 -12.980 -5.007 4.684 1.00 0.00 C ATOM 1004 O PRO B 6 -13.138 -4.199 3.781 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.663 -5.538 5.399 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.418 -5.915 4.606 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.908 -6.098 3.175 1.00 0.00 C ATOM 0 HA PRO B 6 -12.323 -6.986 5.016 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.731 -4.457 5.518 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.626 -5.967 6.400 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.659 -5.135 4.667 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.967 -6.830 4.990 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.703 -5.213 2.573 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.406 -6.936 2.691 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.752 -5.031 5.797 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.790 -4.027 6.012 1.00 0.00 C ATOM 1017 C PRO B 7 -14.166 -2.748 6.619 1.00 0.00 C ATOM 1018 O PRO B 7 -13.724 -2.738 7.763 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.707 -4.689 7.048 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.799 -5.657 7.821 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.755 -6.100 6.796 1.00 0.00 C ATOM 0 HA PRO B 7 -15.304 -3.736 5.096 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -16.151 -3.948 7.713 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.529 -5.218 6.566 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -14.333 -5.167 8.676 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.362 -6.507 8.208 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.773 -6.219 7.254 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -14.017 -7.060 6.351 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.149 -1.682 5.792 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.617 -0.393 6.252 1.00 0.00 C ATOM 1031 C ARG B 8 -14.781 0.369 6.899 1.00 0.00 C ATOM 1032 O ARG B 8 -15.706 0.845 6.253 1.00 0.00 O ATOM 1033 CB ARG B 8 -12.952 0.437 5.140 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.712 0.460 3.810 1.00 0.00 C ATOM 1035 CD ARG B 8 -14.028 1.874 3.327 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.128 1.804 2.378 1.00 0.00 N ATOM 1037 CZ ARG B 8 -15.618 2.896 1.772 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -15.038 4.077 1.942 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -16.689 2.775 0.999 1.00 0.00 N ATOM 0 H ARG B 8 -14.488 -1.690 4.830 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.815 -0.577 6.967 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.835 1.462 5.492 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.951 0.044 4.963 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.121 -0.053 3.051 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -14.643 -0.097 3.920 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -14.295 2.511 4.170 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -13.151 2.319 2.857 1.00 0.00 H new ATOM 0 HE ARG B 8 -15.540 0.895 2.166 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -14.214 4.159 2.537 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -15.417 4.903 1.478 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.127 1.862 0.873 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.075 3.595 0.531 1.00 0.00 H new ATOM 1053 N ARG B 9 -14.651 0.428 8.232 1.00 0.00 N ATOM 1054 CA ARG B 9 -15.563 1.036 9.142 1.00 0.00 C ATOM 1055 C ARG B 9 -14.707 1.438 10.360 1.00 0.00 C ATOM 1056 O ARG B 9 -14.728 0.854 11.434 1.00 0.00 O ATOM 1057 CB ARG B 9 -16.662 0.003 9.422 1.00 0.00 C ATOM 1058 CG ARG B 9 -17.540 0.405 10.593 1.00 0.00 C ATOM 1059 CD ARG B 9 -18.769 -0.490 10.761 1.00 0.00 C ATOM 1060 NE ARG B 9 -19.516 -0.089 11.949 1.00 0.00 N ATOM 1061 CZ ARG B 9 -20.525 -0.837 12.445 1.00 0.00 C ATOM 1062 NH1 ARG B 9 -20.871 -1.986 11.877 1.00 0.00 N ATOM 1063 NH2 ARG B 9 -21.183 -0.420 13.519 1.00 0.00 N ATOM 0 H ARG B 9 -13.847 0.019 8.708 1.00 0.00 H new ATOM 0 HA ARG B 9 -16.074 1.931 8.786 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -17.279 -0.119 8.532 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -16.205 -0.965 9.628 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -16.949 0.375 11.509 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -17.866 1.436 10.457 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -19.405 -0.418 9.879 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -18.462 -1.532 10.848 1.00 0.00 H new ATOM 0 HE ARG B 9 -19.269 0.782 12.419 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -20.372 -2.318 11.052 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -21.636 -2.537 12.266 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -20.926 0.461 13.965 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -21.946 -0.980 13.899 1.00 0.00 H new ATOM 1077 N ARG B 10 -13.924 2.490 10.072 1.00 0.00 N ATOM 1078 CA ARG B 10 -13.021 3.086 11.048 1.00 0.00 C ATOM 1079 C ARG B 10 -13.786 3.822 12.176 1.00 0.00 C ATOM 1080 O ARG B 10 -13.223 4.199 13.195 1.00 0.00 O ATOM 1081 CB ARG B 10 -12.056 3.994 10.259 1.00 0.00 C ATOM 1082 CG ARG B 10 -11.069 4.801 11.109 1.00 0.00 C ATOM 1083 CD ARG B 10 -10.003 3.943 11.806 1.00 0.00 C ATOM 1084 NE ARG B 10 -9.477 4.611 12.991 1.00 0.00 N ATOM 1085 CZ ARG B 10 -8.616 5.647 12.954 1.00 0.00 C ATOM 1086 NH1 ARG B 10 -8.212 6.169 11.805 1.00 0.00 N ATOM 1087 NH2 ARG B 10 -8.163 6.152 14.094 1.00 0.00 N ATOM 0 H ARG B 10 -13.905 2.944 9.159 1.00 0.00 H new ATOM 0 HA ARG B 10 -12.452 2.322 11.577 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -11.489 3.375 9.564 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -12.645 4.688 9.660 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -10.573 5.535 10.474 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -11.625 5.357 11.864 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -10.434 2.982 12.088 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -9.189 3.735 11.111 1.00 0.00 H new ATOM 0 HE ARG B 10 -9.780 4.273 13.905 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -8.553 5.787 10.923 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -7.560 6.953 11.802 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -8.467 5.756 14.984 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -7.511 6.936 14.081 1.00 0.00 H new HETATM 1101 N NH2 B 11 -15.090 3.985 11.948 1.00 0.00 N TER 1104 NH2 B 11