USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 SER OG : rot 180:sc= -0.0568 USER MOD Set 1.2: A 74 HIS : no HD1:sc= 0 X(o=-0.057,f=-0.057) USER MOD Set 2.1: A 63 HIS : no HE2:sc=-0.00171 K(o=-2.8,f=-4.4) USER MOD Set 2.2: A 65 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-7.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -124:sc= 0.176 USER MOD Single : A 14 ASN : amide:sc= -0.0247 X(o=-0.025,f=-0.002) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-1.1) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.5!) USER MOD Single : A 35 HIS : no HD1:sc=-0.00378 X(o=-0.0038,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 29:sc= 1.1 USER MOD Single : A 62 HIS : no HD1:sc= -0.791 K(o=-0.79,f=-0.13) USER MOD Single : A 64 HIS : no HD1:sc= -0.0779 X(o=-0.078,f=-0.31) USER MOD Single : A 66 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.4!) USER MOD Single : A 67 THR OG1 : rot -16:sc= 0.332 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.774 24.255 17.921 1.00 0.00 N ATOM 2 CA MET A 1 -22.718 25.220 17.382 1.00 0.00 C ATOM 3 C MET A 1 -23.242 24.769 16.017 1.00 0.00 C ATOM 4 O MET A 1 -22.698 25.153 14.982 1.00 0.00 O ATOM 5 CB MET A 1 -22.032 26.580 17.242 1.00 0.00 C ATOM 6 CG MET A 1 -22.845 27.677 17.934 1.00 0.00 C ATOM 7 SD MET A 1 -22.061 28.141 19.469 1.00 0.00 S ATOM 8 CE MET A 1 -23.413 27.869 20.602 1.00 0.00 C ATOM 0 H1 MET A 1 -21.433 24.583 18.847 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.244 23.334 18.032 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.969 24.157 17.270 1.00 0.00 H new ATOM 0 HA MET A 1 -23.562 25.298 18.067 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.033 26.534 17.676 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.910 26.823 16.186 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.928 28.546 17.281 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.858 27.324 18.126 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.093 28.112 21.615 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.254 28.505 20.324 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.719 26.824 20.559 1.00 0.00 H new ATOM 18 N GLU A 2 -24.292 23.962 16.058 1.00 0.00 N ATOM 19 CA GLU A 2 -24.895 23.456 14.838 1.00 0.00 C ATOM 20 C GLU A 2 -26.252 22.816 15.142 1.00 0.00 C ATOM 21 O GLU A 2 -26.384 21.594 15.123 1.00 0.00 O ATOM 22 CB GLU A 2 -23.966 22.463 14.137 1.00 0.00 C ATOM 23 CG GLU A 2 -24.116 22.549 12.617 1.00 0.00 C ATOM 24 CD GLU A 2 -23.023 23.430 12.007 1.00 0.00 C ATOM 25 OE1 GLU A 2 -22.263 22.965 11.145 1.00 0.00 O ATOM 26 OE2 GLU A 2 -22.980 24.637 12.459 1.00 0.00 O ATOM 0 H GLU A 2 -24.740 23.646 16.918 1.00 0.00 H new ATOM 0 HA GLU A 2 -25.054 24.295 14.160 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -22.932 22.668 14.416 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -24.192 21.450 14.471 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -24.065 21.549 12.186 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -25.096 22.954 12.367 1.00 0.00 H new ATOM 34 N VAL A 3 -27.226 23.672 15.415 1.00 0.00 N ATOM 35 CA VAL A 3 -28.567 23.206 15.723 1.00 0.00 C ATOM 36 C VAL A 3 -29.576 23.958 14.852 1.00 0.00 C ATOM 37 O VAL A 3 -29.193 24.782 14.022 1.00 0.00 O ATOM 38 CB VAL A 3 -28.842 23.355 17.220 1.00 0.00 C ATOM 39 CG1 VAL A 3 -29.184 24.804 17.574 1.00 0.00 C ATOM 40 CG2 VAL A 3 -29.952 22.404 17.671 1.00 0.00 C ATOM 0 H VAL A 3 -27.113 24.686 15.429 1.00 0.00 H new ATOM 0 HA VAL A 3 -28.665 22.145 15.492 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.932 23.086 17.756 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -29.375 24.882 18.644 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -28.348 25.451 17.307 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -30.073 25.113 17.024 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -30.128 22.530 18.739 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -30.868 22.628 17.124 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -29.653 21.375 17.472 1.00 0.00 H new ATOM 50 N ALA A 4 -30.845 23.648 15.071 1.00 0.00 N ATOM 51 CA ALA A 4 -31.912 24.284 14.317 1.00 0.00 C ATOM 52 C ALA A 4 -32.257 25.627 14.964 1.00 0.00 C ATOM 53 O ALA A 4 -33.369 25.816 15.455 1.00 0.00 O ATOM 54 CB ALA A 4 -33.117 23.345 14.246 1.00 0.00 C ATOM 0 H ALA A 4 -31.159 22.964 15.760 1.00 0.00 H new ATOM 0 HA ALA A 4 -31.593 24.483 13.294 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -33.917 23.822 13.680 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -32.827 22.418 13.752 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -33.467 23.125 15.255 1.00 0.00 H new ATOM 60 N MET A 5 -31.283 26.525 14.942 1.00 0.00 N ATOM 61 CA MET A 5 -31.470 27.845 15.521 1.00 0.00 C ATOM 62 C MET A 5 -31.920 27.746 16.979 1.00 0.00 C ATOM 63 O MET A 5 -32.182 26.653 17.479 1.00 0.00 O ATOM 64 CB MET A 5 -32.519 28.613 14.713 1.00 0.00 C ATOM 65 CG MET A 5 -32.001 29.997 14.317 1.00 0.00 C ATOM 66 SD MET A 5 -30.681 29.837 13.126 1.00 0.00 S ATOM 67 CE MET A 5 -31.010 31.264 12.106 1.00 0.00 C ATOM 0 H MET A 5 -30.363 26.365 14.533 1.00 0.00 H new ATOM 0 HA MET A 5 -30.517 28.373 15.490 1.00 0.00 H new ATOM 0 HB2 MET A 5 -32.779 28.048 13.818 1.00 0.00 H new ATOM 0 HB3 MET A 5 -33.431 28.717 15.300 1.00 0.00 H new ATOM 0 HG2 MET A 5 -32.812 30.591 13.896 1.00 0.00 H new ATOM 0 HG3 MET A 5 -31.643 30.527 15.200 1.00 0.00 H new ATOM 0 HE1 MET A 5 -30.272 31.317 11.305 1.00 0.00 H new ATOM 0 HE2 MET A 5 -32.008 31.181 11.675 1.00 0.00 H new ATOM 0 HE3 MET A 5 -30.951 32.167 12.714 1.00 0.00 H new ATOM 77 N VAL A 6 -31.996 28.903 17.622 1.00 0.00 N ATOM 78 CA VAL A 6 -32.410 28.960 19.013 1.00 0.00 C ATOM 79 C VAL A 6 -31.688 27.866 19.801 1.00 0.00 C ATOM 80 O VAL A 6 -30.760 27.239 19.292 1.00 0.00 O ATOM 81 CB VAL A 6 -33.934 28.859 19.110 1.00 0.00 C ATOM 82 CG1 VAL A 6 -34.393 27.402 19.033 1.00 0.00 C ATOM 83 CG2 VAL A 6 -34.447 29.529 20.387 1.00 0.00 C ATOM 0 H VAL A 6 -31.778 29.808 17.205 1.00 0.00 H new ATOM 0 HA VAL A 6 -32.132 29.917 19.455 1.00 0.00 H new ATOM 0 HB VAL A 6 -34.360 29.389 18.258 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -35.480 27.359 19.104 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -34.074 26.970 18.085 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -33.953 26.838 19.855 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -35.533 29.443 20.432 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -34.008 29.039 21.256 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -34.166 30.582 20.383 1.00 0.00 H new ATOM 93 N SER A 7 -32.140 27.669 21.031 1.00 0.00 N ATOM 94 CA SER A 7 -31.548 26.662 21.894 1.00 0.00 C ATOM 95 C SER A 7 -31.369 25.352 21.124 1.00 0.00 C ATOM 96 O SER A 7 -32.055 25.113 20.131 1.00 0.00 O ATOM 97 CB SER A 7 -32.406 26.432 23.140 1.00 0.00 C ATOM 98 OG SER A 7 -33.594 25.703 22.844 1.00 0.00 O ATOM 0 H SER A 7 -32.910 28.190 21.450 1.00 0.00 H new ATOM 0 HA SER A 7 -30.571 27.021 22.219 1.00 0.00 H new ATOM 0 HB2 SER A 7 -31.824 25.890 23.885 1.00 0.00 H new ATOM 0 HB3 SER A 7 -32.671 27.393 23.580 1.00 0.00 H new ATOM 0 HG SER A 7 -34.113 25.576 23.666 1.00 0.00 H new ATOM 104 N ALA A 8 -30.444 24.538 21.610 1.00 0.00 N ATOM 105 CA ALA A 8 -30.166 23.259 20.980 1.00 0.00 C ATOM 106 C ALA A 8 -31.064 22.186 21.597 1.00 0.00 C ATOM 107 O ALA A 8 -30.601 21.360 22.382 1.00 0.00 O ATOM 108 CB ALA A 8 -28.679 22.930 21.126 1.00 0.00 C ATOM 0 H ALA A 8 -29.877 24.740 22.434 1.00 0.00 H new ATOM 0 HA ALA A 8 -30.387 23.300 19.913 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -28.471 21.970 20.653 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -28.085 23.708 20.645 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.420 22.877 22.184 1.00 0.00 H new ATOM 114 N GLU A 9 -32.333 22.232 21.218 1.00 0.00 N ATOM 115 CA GLU A 9 -33.301 21.273 21.725 1.00 0.00 C ATOM 116 C GLU A 9 -32.669 19.884 21.825 1.00 0.00 C ATOM 117 O GLU A 9 -31.692 19.591 21.137 1.00 0.00 O ATOM 118 CB GLU A 9 -34.554 21.244 20.848 1.00 0.00 C ATOM 119 CG GLU A 9 -34.371 20.295 19.662 1.00 0.00 C ATOM 120 CD GLU A 9 -35.514 20.448 18.656 1.00 0.00 C ATOM 121 OE1 GLU A 9 -35.932 21.577 18.359 1.00 0.00 O ATOM 122 OE2 GLU A 9 -35.970 19.340 18.176 1.00 0.00 O ATOM 0 H GLU A 9 -32.713 22.918 20.566 1.00 0.00 H new ATOM 0 HA GLU A 9 -33.604 21.585 22.724 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -35.411 20.928 21.443 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -34.771 22.248 20.485 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -33.420 20.500 19.171 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -34.331 19.266 20.018 1.00 0.00 H new ATOM 130 N SER A 10 -33.252 19.064 22.687 1.00 0.00 N ATOM 131 CA SER A 10 -32.758 17.712 22.885 1.00 0.00 C ATOM 132 C SER A 10 -33.803 16.877 23.628 1.00 0.00 C ATOM 133 O SER A 10 -34.181 17.205 24.752 1.00 0.00 O ATOM 134 CB SER A 10 -31.437 17.716 23.656 1.00 0.00 C ATOM 135 OG SER A 10 -30.605 16.616 23.297 1.00 0.00 O ATOM 0 H SER A 10 -34.062 19.310 23.256 1.00 0.00 H new ATOM 0 HA SER A 10 -32.575 17.268 21.907 1.00 0.00 H new ATOM 0 HB2 SER A 10 -30.908 18.649 23.463 1.00 0.00 H new ATOM 0 HB3 SER A 10 -31.642 17.681 24.726 1.00 0.00 H new ATOM 0 HG SER A 10 -29.771 16.656 23.810 1.00 0.00 H new ATOM 141 N SER A 11 -34.241 15.813 22.970 1.00 0.00 N ATOM 142 CA SER A 11 -35.234 14.928 23.554 1.00 0.00 C ATOM 143 C SER A 11 -36.541 15.690 23.786 1.00 0.00 C ATOM 144 O SER A 11 -36.523 16.861 24.161 1.00 0.00 O ATOM 145 CB SER A 11 -34.732 14.326 24.868 1.00 0.00 C ATOM 146 OG SER A 11 -35.579 13.279 25.333 1.00 0.00 O ATOM 0 H SER A 11 -33.926 15.544 22.038 1.00 0.00 H new ATOM 0 HA SER A 11 -35.415 14.110 22.857 1.00 0.00 H new ATOM 0 HB2 SER A 11 -33.722 13.940 24.728 1.00 0.00 H new ATOM 0 HB3 SER A 11 -34.672 15.108 25.625 1.00 0.00 H new ATOM 0 HG SER A 11 -35.224 12.920 26.173 1.00 0.00 H new ATOM 152 N GLY A 12 -37.644 14.994 23.552 1.00 0.00 N ATOM 153 CA GLY A 12 -38.957 15.590 23.731 1.00 0.00 C ATOM 154 C GLY A 12 -39.960 15.017 22.728 1.00 0.00 C ATOM 155 O GLY A 12 -40.334 15.687 21.767 1.00 0.00 O ATOM 0 H GLY A 12 -37.655 14.023 23.240 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -39.308 15.407 24.747 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -38.890 16.671 23.607 1.00 0.00 H new ATOM 159 N CYS A 13 -40.367 13.783 22.986 1.00 0.00 N ATOM 160 CA CYS A 13 -41.320 13.112 22.117 1.00 0.00 C ATOM 161 C CYS A 13 -42.043 12.039 22.934 1.00 0.00 C ATOM 162 O CYS A 13 -42.025 10.863 22.575 1.00 0.00 O ATOM 163 CB CYS A 13 -40.640 12.524 20.879 1.00 0.00 C ATOM 164 SG CYS A 13 -41.799 12.539 19.462 1.00 0.00 S ATOM 0 H CYS A 13 -40.055 13.230 23.784 1.00 0.00 H new ATOM 0 HA CYS A 13 -42.046 13.834 21.744 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -39.748 13.101 20.636 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -40.315 11.504 21.083 1.00 0.00 H new ATOM 0 HG CYS A 13 -41.916 11.336 18.985 1.00 0.00 H new ATOM 170 N ASN A 14 -42.662 12.484 24.018 1.00 0.00 N ATOM 171 CA ASN A 14 -43.389 11.576 24.889 1.00 0.00 C ATOM 172 C ASN A 14 -44.892 11.765 24.675 1.00 0.00 C ATOM 173 O ASN A 14 -45.692 11.467 25.560 1.00 0.00 O ATOM 174 CB ASN A 14 -43.083 11.861 26.361 1.00 0.00 C ATOM 175 CG ASN A 14 -42.276 10.720 26.984 1.00 0.00 C ATOM 176 OD1 ASN A 14 -42.723 9.588 27.076 1.00 0.00 O ATOM 177 ND2 ASN A 14 -41.067 11.079 27.406 1.00 0.00 N ATOM 0 H ASN A 14 -42.675 13.460 24.313 1.00 0.00 H new ATOM 0 HA ASN A 14 -43.082 10.559 24.647 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -42.526 12.794 26.446 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -44.015 11.995 26.911 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -40.452 10.389 27.837 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -40.755 12.044 27.298 1.00 0.00 H new ATOM 184 N SER A 15 -45.231 12.260 23.493 1.00 0.00 N ATOM 185 CA SER A 15 -46.624 12.493 23.151 1.00 0.00 C ATOM 186 C SER A 15 -47.172 11.307 22.354 1.00 0.00 C ATOM 187 O SER A 15 -47.738 11.488 21.276 1.00 0.00 O ATOM 188 CB SER A 15 -46.786 13.789 22.354 1.00 0.00 C ATOM 189 OG SER A 15 -47.107 14.895 23.193 1.00 0.00 O ATOM 0 H SER A 15 -44.565 12.506 22.761 1.00 0.00 H new ATOM 0 HA SER A 15 -47.191 12.594 24.076 1.00 0.00 H new ATOM 0 HB2 SER A 15 -45.863 14.000 21.813 1.00 0.00 H new ATOM 0 HB3 SER A 15 -47.570 13.660 21.608 1.00 0.00 H new ATOM 0 HG SER A 15 -47.200 15.703 22.647 1.00 0.00 H new ATOM 195 N HIS A 16 -46.984 10.121 22.913 1.00 0.00 N ATOM 196 CA HIS A 16 -47.452 8.907 22.268 1.00 0.00 C ATOM 197 C HIS A 16 -47.011 8.901 20.803 1.00 0.00 C ATOM 198 O HIS A 16 -47.806 9.193 19.911 1.00 0.00 O ATOM 199 CB HIS A 16 -48.965 8.753 22.432 1.00 0.00 C ATOM 200 CG HIS A 16 -49.473 7.355 22.170 1.00 0.00 C ATOM 201 ND1 HIS A 16 -48.898 6.512 21.235 1.00 0.00 N ATOM 202 CD2 HIS A 16 -50.505 6.661 22.731 1.00 0.00 C ATOM 203 CE1 HIS A 16 -49.564 5.366 21.240 1.00 0.00 C ATOM 204 NE2 HIS A 16 -50.559 5.461 22.168 1.00 0.00 N ATOM 0 H HIS A 16 -46.514 9.975 23.806 1.00 0.00 H new ATOM 0 HA HIS A 16 -47.003 8.039 22.750 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -49.242 9.045 23.445 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -49.466 9.443 21.753 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -51.166 7.027 23.503 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -49.355 4.508 20.618 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -51.234 4.730 22.392 1.00 0.00 H new ATOM 212 N MET A 17 -45.745 8.565 20.601 1.00 0.00 N ATOM 213 CA MET A 17 -45.189 8.518 19.259 1.00 0.00 C ATOM 214 C MET A 17 -45.360 7.128 18.644 1.00 0.00 C ATOM 215 O MET A 17 -44.752 6.162 19.104 1.00 0.00 O ATOM 216 CB MET A 17 -43.702 8.875 19.310 1.00 0.00 C ATOM 217 CG MET A 17 -43.102 8.924 17.904 1.00 0.00 C ATOM 218 SD MET A 17 -43.407 10.520 17.165 1.00 0.00 S ATOM 219 CE MET A 17 -43.297 10.088 15.437 1.00 0.00 C ATOM 0 H MET A 17 -45.089 8.323 21.344 1.00 0.00 H new ATOM 0 HA MET A 17 -45.723 9.238 18.638 1.00 0.00 H new ATOM 0 HB2 MET A 17 -43.573 9.841 19.798 1.00 0.00 H new ATOM 0 HB3 MET A 17 -43.168 8.140 19.912 1.00 0.00 H new ATOM 0 HG2 MET A 17 -42.030 8.735 17.951 1.00 0.00 H new ATOM 0 HG3 MET A 17 -43.538 8.139 17.286 1.00 0.00 H new ATOM 0 HE1 MET A 17 -43.464 10.977 14.828 1.00 0.00 H new ATOM 0 HE2 MET A 17 -42.307 9.684 15.225 1.00 0.00 H new ATOM 0 HE3 MET A 17 -44.053 9.339 15.200 1.00 0.00 H new ATOM 229 N PRO A 18 -46.212 7.068 17.586 1.00 0.00 N ATOM 230 CA PRO A 18 -46.471 5.812 16.903 1.00 0.00 C ATOM 231 C PRO A 18 -45.288 5.417 16.016 1.00 0.00 C ATOM 232 O PRO A 18 -45.115 5.961 14.927 1.00 0.00 O ATOM 233 CB PRO A 18 -47.750 6.048 16.116 1.00 0.00 C ATOM 234 CG PRO A 18 -47.906 7.556 16.017 1.00 0.00 C ATOM 235 CD PRO A 18 -46.950 8.191 17.014 1.00 0.00 C ATOM 0 HA PRO A 18 -46.592 4.976 17.592 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -47.688 5.596 15.126 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -48.606 5.599 16.619 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -47.684 7.897 15.006 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -48.933 7.848 16.234 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -46.279 8.898 16.525 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -47.489 8.744 17.783 1.00 0.00 H new ATOM 243 N TYR A 19 -44.505 4.472 16.516 1.00 0.00 N ATOM 244 CA TYR A 19 -43.343 3.998 15.783 1.00 0.00 C ATOM 245 C TYR A 19 -43.715 2.836 14.859 1.00 0.00 C ATOM 246 O TYR A 19 -44.568 2.017 15.198 1.00 0.00 O ATOM 247 CB TYR A 19 -42.354 3.498 16.838 1.00 0.00 C ATOM 248 CG TYR A 19 -42.936 2.452 17.791 1.00 0.00 C ATOM 249 CD1 TYR A 19 -43.047 1.137 17.387 1.00 0.00 C ATOM 250 CD2 TYR A 19 -43.350 2.824 19.054 1.00 0.00 C ATOM 251 CE1 TYR A 19 -43.595 0.152 18.284 1.00 0.00 C ATOM 252 CE2 TYR A 19 -43.898 1.839 19.951 1.00 0.00 C ATOM 253 CZ TYR A 19 -43.993 0.552 19.522 1.00 0.00 C ATOM 254 OH TYR A 19 -44.511 -0.378 20.369 1.00 0.00 O ATOM 0 H TYR A 19 -44.652 4.022 17.419 1.00 0.00 H new ATOM 0 HA TYR A 19 -42.928 4.794 15.165 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -41.486 3.073 16.335 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -42.000 4.348 17.421 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -42.723 0.846 16.399 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -43.263 3.853 19.370 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -43.688 -0.880 17.981 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -44.226 2.116 20.942 1.00 0.00 H new ATOM 0 HH TYR A 19 -44.751 0.050 21.217 1.00 0.00 H new ATOM 264 N GLY A 20 -43.057 2.802 13.709 1.00 0.00 N ATOM 265 CA GLY A 20 -43.308 1.755 12.734 1.00 0.00 C ATOM 266 C GLY A 20 -42.131 1.613 11.767 1.00 0.00 C ATOM 267 O GLY A 20 -41.080 1.090 12.135 1.00 0.00 O ATOM 0 H GLY A 20 -42.350 3.483 13.431 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -43.478 0.808 13.247 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -44.216 1.983 12.176 1.00 0.00 H new ATOM 271 N TYR A 21 -42.347 2.088 10.549 1.00 0.00 N ATOM 272 CA TYR A 21 -41.317 2.021 9.526 1.00 0.00 C ATOM 273 C TYR A 21 -40.028 2.695 10.001 1.00 0.00 C ATOM 274 O TYR A 21 -38.962 2.475 9.429 1.00 0.00 O ATOM 275 CB TYR A 21 -41.867 2.788 8.322 1.00 0.00 C ATOM 276 CG TYR A 21 -42.620 1.914 7.318 1.00 0.00 C ATOM 277 CD1 TYR A 21 -41.919 1.173 6.387 1.00 0.00 C ATOM 278 CD2 TYR A 21 -43.999 1.865 7.342 1.00 0.00 C ATOM 279 CE1 TYR A 21 -42.627 0.350 5.442 1.00 0.00 C ATOM 280 CE2 TYR A 21 -44.707 1.042 6.396 1.00 0.00 C ATOM 281 CZ TYR A 21 -43.986 0.325 5.492 1.00 0.00 C ATOM 282 OH TYR A 21 -44.655 -0.452 4.599 1.00 0.00 O ATOM 0 H TYR A 21 -43.220 2.521 10.248 1.00 0.00 H new ATOM 0 HA TYR A 21 -41.080 0.984 9.287 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -42.535 3.572 8.678 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -41.041 3.281 7.810 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -40.840 1.211 6.368 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -44.547 2.444 8.070 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -42.091 -0.235 4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -45.786 0.995 6.404 1.00 0.00 H new ATOM 0 HH TYR A 21 -45.619 -0.372 4.754 1.00 0.00 H new ATOM 292 N ALA A 22 -40.170 3.504 11.041 1.00 0.00 N ATOM 293 CA ALA A 22 -39.030 4.212 11.598 1.00 0.00 C ATOM 294 C ALA A 22 -38.395 3.361 12.700 1.00 0.00 C ATOM 295 O ALA A 22 -37.881 3.893 13.682 1.00 0.00 O ATOM 296 CB ALA A 22 -39.480 5.583 12.107 1.00 0.00 C ATOM 0 H ALA A 22 -41.056 3.685 11.512 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.272 4.380 10.833 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -38.625 6.114 12.525 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -39.897 6.159 11.281 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -40.239 5.454 12.878 1.00 0.00 H new ATOM 302 N ALA A 23 -38.452 2.052 12.499 1.00 0.00 N ATOM 303 CA ALA A 23 -37.888 1.122 13.463 1.00 0.00 C ATOM 304 C ALA A 23 -36.426 0.849 13.106 1.00 0.00 C ATOM 305 O ALA A 23 -35.716 0.177 13.854 1.00 0.00 O ATOM 306 CB ALA A 23 -38.730 -0.155 13.492 1.00 0.00 C ATOM 0 H ALA A 23 -38.880 1.614 11.683 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.908 1.549 14.466 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.308 -0.853 14.215 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.753 0.090 13.779 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.731 -0.613 12.503 1.00 0.00 H new ATOM 312 N GLN A 24 -36.018 1.383 11.964 1.00 0.00 N ATOM 313 CA GLN A 24 -34.653 1.204 11.500 1.00 0.00 C ATOM 314 C GLN A 24 -33.756 2.314 12.050 1.00 0.00 C ATOM 315 O GLN A 24 -32.551 2.325 11.802 1.00 0.00 O ATOM 316 CB GLN A 24 -34.595 1.160 9.972 1.00 0.00 C ATOM 317 CG GLN A 24 -34.528 -0.283 9.467 1.00 0.00 C ATOM 318 CD GLN A 24 -35.885 -0.739 8.926 1.00 0.00 C ATOM 319 OE1 GLN A 24 -36.871 -0.022 8.967 1.00 0.00 O ATOM 320 NE2 GLN A 24 -35.880 -1.968 8.419 1.00 0.00 N ATOM 0 H GLN A 24 -36.609 1.940 11.346 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.286 0.248 11.873 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.474 1.654 9.557 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -33.723 1.713 9.622 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -33.775 -0.363 8.683 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -34.216 -0.941 10.278 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -35.019 -2.515 8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -36.737 -2.364 8.033 1.00 0.00 H new ATOM 329 N ALA A 25 -34.378 3.222 12.789 1.00 0.00 N ATOM 330 CA ALA A 25 -33.650 4.334 13.377 1.00 0.00 C ATOM 331 C ALA A 25 -32.568 3.792 14.313 1.00 0.00 C ATOM 332 O ALA A 25 -31.605 4.491 14.624 1.00 0.00 O ATOM 333 CB ALA A 25 -34.631 5.263 14.095 1.00 0.00 C ATOM 0 H ALA A 25 -35.377 3.210 12.994 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.153 4.920 12.604 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.086 6.097 14.536 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.361 5.644 13.380 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.147 4.711 14.881 1.00 0.00 H new ATOM 339 N ARG A 26 -32.763 2.552 14.735 1.00 0.00 N ATOM 340 CA ARG A 26 -31.816 1.908 15.630 1.00 0.00 C ATOM 341 C ARG A 26 -30.529 1.561 14.879 1.00 0.00 C ATOM 342 O ARG A 26 -29.447 1.558 15.463 1.00 0.00 O ATOM 343 CB ARG A 26 -32.407 0.632 16.232 1.00 0.00 C ATOM 344 CG ARG A 26 -31.990 0.473 17.695 1.00 0.00 C ATOM 345 CD ARG A 26 -31.183 -0.811 17.899 1.00 0.00 C ATOM 346 NE ARG A 26 -30.349 -0.697 19.116 1.00 0.00 N ATOM 347 CZ ARG A 26 -29.869 -1.753 19.807 1.00 0.00 C ATOM 348 NH1 ARG A 26 -30.138 -3.013 19.406 1.00 0.00 N ATOM 349 NH2 ARG A 26 -29.133 -1.534 20.881 1.00 0.00 N ATOM 0 H ARG A 26 -33.563 1.975 14.474 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.594 2.607 16.436 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.494 0.662 16.161 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.074 -0.233 15.659 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.395 1.333 18.003 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -32.876 0.454 18.329 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -31.857 -1.663 17.988 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -30.550 -0.994 17.031 1.00 0.00 H new ATOM 0 HE ARG A 26 -30.122 0.238 19.454 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -30.708 -3.173 18.575 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -29.772 -3.805 19.934 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -28.935 -0.578 21.177 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -28.763 -2.321 21.414 1.00 0.00 H new ATOM 362 N ALA A 27 -30.689 1.277 13.594 1.00 0.00 N ATOM 363 CA ALA A 27 -29.554 0.929 12.758 1.00 0.00 C ATOM 364 C ALA A 27 -28.686 2.170 12.541 1.00 0.00 C ATOM 365 O ALA A 27 -27.470 2.063 12.388 1.00 0.00 O ATOM 366 CB ALA A 27 -30.054 0.330 11.441 1.00 0.00 C ATOM 0 H ALA A 27 -31.588 1.281 13.112 1.00 0.00 H new ATOM 0 HA ALA A 27 -28.936 0.175 13.245 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.202 0.069 10.813 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.640 -0.565 11.648 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.676 1.059 10.923 1.00 0.00 H new ATOM 372 N ARG A 28 -29.344 3.320 12.536 1.00 0.00 N ATOM 373 CA ARG A 28 -28.648 4.580 12.341 1.00 0.00 C ATOM 374 C ARG A 28 -27.642 4.811 13.470 1.00 0.00 C ATOM 375 O ARG A 28 -26.604 5.438 13.262 1.00 0.00 O ATOM 376 CB ARG A 28 -29.631 5.751 12.296 1.00 0.00 C ATOM 377 CG ARG A 28 -29.224 6.769 11.229 1.00 0.00 C ATOM 378 CD ARG A 28 -29.398 8.200 11.742 1.00 0.00 C ATOM 379 NE ARG A 28 -30.257 8.969 10.814 1.00 0.00 N ATOM 380 CZ ARG A 28 -30.235 10.315 10.701 1.00 0.00 C ATOM 381 NH1 ARG A 28 -29.397 11.052 11.459 1.00 0.00 N ATOM 382 NH2 ARG A 28 -31.047 10.898 9.839 1.00 0.00 N ATOM 0 H ARG A 28 -30.352 3.405 12.664 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.123 4.524 11.387 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.634 5.380 12.086 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.668 6.236 13.271 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -28.185 6.605 10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -29.828 6.624 10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -29.843 8.187 12.737 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -28.425 8.683 11.835 1.00 0.00 H new ATOM 0 HE ARG A 28 -30.906 8.450 10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -28.774 10.593 12.124 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -29.387 12.068 11.368 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -31.678 10.333 9.271 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -31.043 11.913 9.741 1.00 0.00 H new ATOM 395 N GLU A 29 -27.984 4.291 14.639 1.00 0.00 N ATOM 396 CA GLU A 29 -27.123 4.432 15.801 1.00 0.00 C ATOM 397 C GLU A 29 -26.000 3.394 15.760 1.00 0.00 C ATOM 398 O GLU A 29 -24.936 3.600 16.342 1.00 0.00 O ATOM 399 CB GLU A 29 -27.928 4.318 17.097 1.00 0.00 C ATOM 400 CG GLU A 29 -27.798 5.590 17.938 1.00 0.00 C ATOM 401 CD GLU A 29 -27.573 5.252 19.413 1.00 0.00 C ATOM 402 OE1 GLU A 29 -28.131 4.266 19.915 1.00 0.00 O ATOM 403 OE2 GLU A 29 -26.784 6.056 20.042 1.00 0.00 O ATOM 0 H GLU A 29 -28.845 3.771 14.807 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.674 5.425 15.777 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -28.977 4.138 16.863 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.579 3.460 17.672 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -26.967 6.191 17.568 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -28.700 6.193 17.833 1.00 0.00 H new ATOM 411 N ARG A 30 -26.275 2.300 15.065 1.00 0.00 N ATOM 412 CA ARG A 30 -25.301 1.228 14.940 1.00 0.00 C ATOM 413 C ARG A 30 -24.421 1.453 13.709 1.00 0.00 C ATOM 414 O ARG A 30 -23.266 1.031 13.682 1.00 0.00 O ATOM 415 CB ARG A 30 -25.991 -0.132 14.823 1.00 0.00 C ATOM 416 CG ARG A 30 -26.086 -0.817 16.188 1.00 0.00 C ATOM 417 CD ARG A 30 -25.099 -1.982 16.287 1.00 0.00 C ATOM 418 NE ARG A 30 -24.831 -2.300 17.707 1.00 0.00 N ATOM 419 CZ ARG A 30 -25.732 -2.865 18.539 1.00 0.00 C ATOM 420 NH1 ARG A 30 -26.968 -3.181 18.098 1.00 0.00 N ATOM 421 NH2 ARG A 30 -25.384 -3.105 19.790 1.00 0.00 N ATOM 0 H ARG A 30 -27.158 2.133 14.583 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.684 1.233 15.839 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -26.990 -0.002 14.407 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.437 -0.767 14.131 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.880 -0.094 16.977 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.101 -1.181 16.346 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -25.505 -2.857 15.780 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -24.168 -1.725 15.782 1.00 0.00 H new ATOM 0 HE ARG A 30 -23.908 -2.079 18.081 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -27.227 -2.993 17.130 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -27.643 -3.608 18.733 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -24.447 -2.864 20.114 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -26.052 -3.531 20.432 1.00 0.00 H new ATOM 434 N GLU A 31 -25.000 2.117 12.719 1.00 0.00 N ATOM 435 CA GLU A 31 -24.282 2.402 11.489 1.00 0.00 C ATOM 436 C GLU A 31 -23.138 3.381 11.757 1.00 0.00 C ATOM 437 O GLU A 31 -22.158 3.415 11.013 1.00 0.00 O ATOM 438 CB GLU A 31 -25.228 2.945 10.416 1.00 0.00 C ATOM 439 CG GLU A 31 -24.615 2.804 9.021 1.00 0.00 C ATOM 440 CD GLU A 31 -25.605 2.160 8.049 1.00 0.00 C ATOM 441 OE1 GLU A 31 -26.418 2.865 7.434 1.00 0.00 O ATOM 442 OE2 GLU A 31 -25.509 0.877 7.943 1.00 0.00 O ATOM 0 H GLU A 31 -25.958 2.466 12.744 1.00 0.00 H new ATOM 0 HA GLU A 31 -23.857 1.471 11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.176 2.408 10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -25.447 3.994 10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.320 3.785 8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.710 2.199 9.077 1.00 0.00 H new ATOM 450 N ARG A 32 -23.299 4.153 12.821 1.00 0.00 N ATOM 451 CA ARG A 32 -22.291 5.130 13.197 1.00 0.00 C ATOM 452 C ARG A 32 -20.954 4.437 13.466 1.00 0.00 C ATOM 453 O ARG A 32 -19.893 5.028 13.270 1.00 0.00 O ATOM 454 CB ARG A 32 -22.715 5.908 14.444 1.00 0.00 C ATOM 455 CG ARG A 32 -22.107 7.312 14.448 1.00 0.00 C ATOM 456 CD ARG A 32 -23.143 8.357 14.868 1.00 0.00 C ATOM 457 NE ARG A 32 -22.518 9.697 14.916 1.00 0.00 N ATOM 458 CZ ARG A 32 -22.273 10.457 13.827 1.00 0.00 C ATOM 459 NH1 ARG A 32 -22.598 10.014 12.595 1.00 0.00 N ATOM 460 NH2 ARG A 32 -21.710 11.641 13.987 1.00 0.00 N ATOM 0 H ARG A 32 -24.113 4.122 13.435 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.181 5.829 12.367 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.802 5.979 14.481 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.400 5.369 15.338 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.257 7.342 15.130 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -21.727 7.550 13.455 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -23.975 8.360 14.164 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -23.553 8.102 15.845 1.00 0.00 H new ATOM 0 HE ARG A 32 -22.256 10.070 15.828 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -23.032 9.098 12.480 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.409 10.595 11.778 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.467 11.968 14.922 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.518 12.228 13.175 1.00 0.00 H new ATOM 473 N LEU A 33 -21.049 3.192 13.913 1.00 0.00 N ATOM 474 CA LEU A 33 -19.860 2.412 14.211 1.00 0.00 C ATOM 475 C LEU A 33 -19.424 1.654 12.956 1.00 0.00 C ATOM 476 O LEU A 33 -18.311 1.133 12.896 1.00 0.00 O ATOM 477 CB LEU A 33 -20.102 1.509 15.422 1.00 0.00 C ATOM 478 CG LEU A 33 -19.092 1.635 16.565 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.709 2.359 17.764 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.527 0.266 16.951 1.00 0.00 C ATOM 0 H LEU A 33 -21.931 2.705 14.076 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.035 3.067 14.490 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.096 1.722 15.816 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.109 0.473 15.082 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.256 2.242 16.217 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.971 2.435 18.562 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.023 3.359 17.463 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.573 1.799 18.122 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.812 0.384 17.765 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -19.340 -0.385 17.273 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -18.027 -0.177 16.090 1.00 0.00 H new ATOM 492 N ALA A 34 -20.324 1.616 11.984 1.00 0.00 N ATOM 493 CA ALA A 34 -20.046 0.930 10.734 1.00 0.00 C ATOM 494 C ALA A 34 -19.236 1.851 9.820 1.00 0.00 C ATOM 495 O ALA A 34 -18.962 1.508 8.672 1.00 0.00 O ATOM 496 CB ALA A 34 -21.362 0.483 10.093 1.00 0.00 C ATOM 0 H ALA A 34 -21.246 2.049 12.037 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.449 0.035 10.912 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.153 -0.032 9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -21.885 -0.193 10.769 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -21.986 1.355 9.897 1.00 0.00 H new ATOM 502 N HIS A 35 -18.875 3.004 10.366 1.00 0.00 N ATOM 503 CA HIS A 35 -18.102 3.978 9.614 1.00 0.00 C ATOM 504 C HIS A 35 -16.609 3.725 9.831 1.00 0.00 C ATOM 505 O HIS A 35 -15.772 4.282 9.122 1.00 0.00 O ATOM 506 CB HIS A 35 -18.521 5.403 9.979 1.00 0.00 C ATOM 507 CG HIS A 35 -18.349 6.400 8.858 1.00 0.00 C ATOM 508 ND1 HIS A 35 -17.488 7.481 8.941 1.00 0.00 N ATOM 509 CD2 HIS A 35 -18.936 6.468 7.628 1.00 0.00 C ATOM 510 CE1 HIS A 35 -17.562 8.162 7.807 1.00 0.00 C ATOM 511 NE2 HIS A 35 -18.460 7.533 6.995 1.00 0.00 N ATOM 0 H HIS A 35 -19.104 3.285 11.320 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.304 3.864 8.549 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.566 5.396 10.288 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -17.937 5.734 10.838 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -19.664 5.773 7.236 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -17.009 9.058 7.567 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -18.722 7.832 6.056 1.00 0.00 H new ATOM 519 N SER A 36 -16.320 2.885 10.814 1.00 0.00 N ATOM 520 CA SER A 36 -14.943 2.551 11.133 1.00 0.00 C ATOM 521 C SER A 36 -14.498 1.331 10.324 1.00 0.00 C ATOM 522 O SER A 36 -13.303 1.098 10.153 1.00 0.00 O ATOM 523 CB SER A 36 -14.773 2.286 12.630 1.00 0.00 C ATOM 524 OG SER A 36 -13.454 2.583 13.079 1.00 0.00 O ATOM 0 H SER A 36 -17.017 2.426 11.400 1.00 0.00 H new ATOM 0 HA SER A 36 -14.315 3.402 10.868 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.490 2.888 13.188 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.001 1.241 12.841 1.00 0.00 H new ATOM 0 HG SER A 36 -13.387 2.402 14.040 1.00 0.00 H new ATOM 530 N ARG A 37 -15.485 0.586 9.848 1.00 0.00 N ATOM 531 CA ARG A 37 -15.210 -0.604 9.061 1.00 0.00 C ATOM 532 C ARG A 37 -15.128 -0.250 7.574 1.00 0.00 C ATOM 533 O ARG A 37 -15.122 -1.136 6.721 1.00 0.00 O ATOM 534 CB ARG A 37 -16.296 -1.663 9.266 1.00 0.00 C ATOM 535 CG ARG A 37 -15.682 -3.058 9.401 1.00 0.00 C ATOM 536 CD ARG A 37 -16.731 -4.076 9.854 1.00 0.00 C ATOM 537 NE ARG A 37 -16.508 -4.435 11.272 1.00 0.00 N ATOM 538 CZ ARG A 37 -17.414 -5.076 12.042 1.00 0.00 C ATOM 539 NH1 ARG A 37 -18.613 -5.433 11.536 1.00 0.00 N ATOM 540 NH2 ARG A 37 -17.109 -5.347 13.297 1.00 0.00 N ATOM 0 H ARG A 37 -16.475 0.783 9.992 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.255 -1.009 9.395 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.874 -1.428 10.160 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.989 -1.646 8.425 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.259 -3.367 8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.862 -3.031 10.119 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.731 -3.661 9.728 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.676 -4.969 9.231 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.614 -4.183 11.694 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -18.841 -5.219 10.565 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -19.291 -5.917 12.124 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.201 -5.073 13.672 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.782 -5.830 13.892 1.00 0.00 H new ATOM 553 N ALA A 38 -15.066 1.047 7.310 1.00 0.00 N ATOM 554 CA ALA A 38 -14.984 1.529 5.942 1.00 0.00 C ATOM 555 C ALA A 38 -13.515 1.606 5.520 1.00 0.00 C ATOM 556 O ALA A 38 -13.116 0.988 4.535 1.00 0.00 O ATOM 557 CB ALA A 38 -15.693 2.880 5.833 1.00 0.00 C ATOM 0 H ALA A 38 -15.071 1.779 8.021 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.487 0.841 5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.631 3.241 4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.740 2.765 6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.214 3.597 6.500 1.00 0.00 H new ATOM 563 N ALA A 39 -12.752 2.369 6.288 1.00 0.00 N ATOM 564 CA ALA A 39 -11.336 2.535 6.006 1.00 0.00 C ATOM 565 C ALA A 39 -10.553 1.396 6.661 1.00 0.00 C ATOM 566 O ALA A 39 -9.724 1.632 7.539 1.00 0.00 O ATOM 567 CB ALA A 39 -10.877 3.912 6.490 1.00 0.00 C ATOM 0 H ALA A 39 -13.087 2.879 7.105 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.150 2.488 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.815 4.037 6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.443 4.687 5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.045 3.995 7.564 1.00 0.00 H new ATOM 573 N ALA A 40 -10.843 0.185 6.209 1.00 0.00 N ATOM 574 CA ALA A 40 -10.177 -0.992 6.740 1.00 0.00 C ATOM 575 C ALA A 40 -8.800 -1.131 6.089 1.00 0.00 C ATOM 576 O ALA A 40 -7.779 -1.103 6.775 1.00 0.00 O ATOM 577 CB ALA A 40 -11.056 -2.223 6.513 1.00 0.00 C ATOM 0 H ALA A 40 -11.531 -0.007 5.480 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.025 -0.894 7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.556 -3.106 6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.011 -2.087 7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.228 -2.355 5.445 1.00 0.00 H new ATOM 583 N ALA A 41 -8.815 -1.276 4.772 1.00 0.00 N ATOM 584 CA ALA A 41 -7.580 -1.419 4.021 1.00 0.00 C ATOM 585 C ALA A 41 -7.891 -2.008 2.643 1.00 0.00 C ATOM 586 O ALA A 41 -7.367 -3.060 2.281 1.00 0.00 O ATOM 587 CB ALA A 41 -6.596 -2.281 4.814 1.00 0.00 C ATOM 0 H ALA A 41 -9.663 -1.297 4.206 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.111 -0.447 3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.669 -2.388 4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.385 -1.805 5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.031 -3.265 4.986 1.00 0.00 H new ATOM 593 N ALA A 42 -8.743 -1.304 1.913 1.00 0.00 N ATOM 594 CA ALA A 42 -9.130 -1.743 0.583 1.00 0.00 C ATOM 595 C ALA A 42 -8.190 -1.120 -0.450 1.00 0.00 C ATOM 596 O ALA A 42 -7.512 -1.833 -1.188 1.00 0.00 O ATOM 597 CB ALA A 42 -10.595 -1.380 0.332 1.00 0.00 C ATOM 0 H ALA A 42 -9.176 -0.432 2.217 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.042 -2.826 0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.886 -1.709 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.224 -1.872 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.721 -0.300 0.409 1.00 0.00 H new ATOM 603 N ALA A 43 -8.178 0.205 -0.470 1.00 0.00 N ATOM 604 CA ALA A 43 -7.332 0.932 -1.400 1.00 0.00 C ATOM 605 C ALA A 43 -5.916 0.355 -1.353 1.00 0.00 C ATOM 606 O ALA A 43 -5.157 0.484 -2.312 1.00 0.00 O ATOM 607 CB ALA A 43 -7.365 2.424 -1.061 1.00 0.00 C ATOM 0 H ALA A 43 -8.741 0.794 0.144 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.699 0.821 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.730 2.970 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.388 2.792 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.000 2.574 -0.045 1.00 0.00 H new ATOM 613 N VAL A 44 -5.603 -0.269 -0.227 1.00 0.00 N ATOM 614 CA VAL A 44 -4.292 -0.867 -0.043 1.00 0.00 C ATOM 615 C VAL A 44 -4.361 -2.356 -0.389 1.00 0.00 C ATOM 616 O VAL A 44 -3.381 -2.933 -0.858 1.00 0.00 O ATOM 617 CB VAL A 44 -3.794 -0.607 1.381 1.00 0.00 C ATOM 618 CG1 VAL A 44 -3.169 -1.868 1.982 1.00 0.00 C ATOM 619 CG2 VAL A 44 -2.808 0.562 1.412 1.00 0.00 C ATOM 0 H VAL A 44 -6.235 -0.373 0.567 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.566 -0.410 -0.716 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.654 -0.336 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.823 -1.656 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.913 -2.664 2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.325 -2.183 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.470 0.726 2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.951 0.332 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.300 1.463 1.044 1.00 0.00 H new ATOM 629 N ALA A 45 -5.528 -2.933 -0.146 1.00 0.00 N ATOM 630 CA ALA A 45 -5.738 -4.343 -0.427 1.00 0.00 C ATOM 631 C ALA A 45 -5.067 -4.700 -1.755 1.00 0.00 C ATOM 632 O ALA A 45 -4.210 -5.581 -1.805 1.00 0.00 O ATOM 633 CB ALA A 45 -7.237 -4.646 -0.432 1.00 0.00 C ATOM 0 H ALA A 45 -6.338 -2.450 0.242 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.284 -4.960 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.394 -5.704 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.660 -4.404 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.727 -4.047 -1.199 1.00 0.00 H new ATOM 639 N ALA A 46 -5.483 -3.997 -2.799 1.00 0.00 N ATOM 640 CA ALA A 46 -4.933 -4.228 -4.124 1.00 0.00 C ATOM 641 C ALA A 46 -3.417 -4.026 -4.085 1.00 0.00 C ATOM 642 O ALA A 46 -2.658 -4.920 -4.456 1.00 0.00 O ATOM 643 CB ALA A 46 -5.619 -3.302 -5.130 1.00 0.00 C ATOM 0 H ALA A 46 -6.194 -3.267 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.121 -5.253 -4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.206 -3.475 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.690 -3.506 -5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.450 -2.264 -4.843 1.00 0.00 H new ATOM 649 N ALA A 47 -3.021 -2.846 -3.631 1.00 0.00 N ATOM 650 CA ALA A 47 -1.609 -2.515 -3.538 1.00 0.00 C ATOM 651 C ALA A 47 -0.917 -3.510 -2.604 1.00 0.00 C ATOM 652 O ALA A 47 -1.530 -4.479 -2.159 1.00 0.00 O ATOM 653 CB ALA A 47 -1.453 -1.068 -3.068 1.00 0.00 C ATOM 0 H ALA A 47 -3.653 -2.107 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.132 -2.593 -4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.394 -0.820 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.936 -0.400 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.918 -0.951 -2.089 1.00 0.00 H new ATOM 659 N THR A 48 0.351 -3.235 -2.334 1.00 0.00 N ATOM 660 CA THR A 48 1.133 -4.094 -1.461 1.00 0.00 C ATOM 661 C THR A 48 1.231 -5.503 -2.047 1.00 0.00 C ATOM 662 O THR A 48 0.295 -5.979 -2.688 1.00 0.00 O ATOM 663 CB THR A 48 0.498 -4.057 -0.070 1.00 0.00 C ATOM 664 OG1 THR A 48 0.931 -2.814 0.477 1.00 0.00 O ATOM 665 CG2 THR A 48 1.092 -5.105 0.873 1.00 0.00 C ATOM 0 H THR A 48 0.856 -2.430 -2.704 1.00 0.00 H new ATOM 0 HA THR A 48 2.160 -3.740 -1.375 1.00 0.00 H new ATOM 0 HB THR A 48 -0.577 -4.215 -0.158 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.563 -2.708 1.379 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.606 -5.036 1.846 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.932 -6.100 0.458 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.161 -4.927 0.988 1.00 0.00 H new ATOM 673 N ALA A 49 2.372 -6.132 -1.806 1.00 0.00 N ATOM 674 CA ALA A 49 2.604 -7.478 -2.302 1.00 0.00 C ATOM 675 C ALA A 49 1.408 -8.363 -1.943 1.00 0.00 C ATOM 676 O ALA A 49 0.493 -7.924 -1.248 1.00 0.00 O ATOM 677 CB ALA A 49 3.918 -8.014 -1.730 1.00 0.00 C ATOM 0 H ALA A 49 3.146 -5.734 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 49 2.698 -7.475 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.092 -9.024 -2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.740 -7.367 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.860 -8.033 -0.642 1.00 0.00 H new ATOM 683 N ALA A 50 1.454 -9.592 -2.434 1.00 0.00 N ATOM 684 CA ALA A 50 0.386 -10.542 -2.174 1.00 0.00 C ATOM 685 C ALA A 50 0.637 -11.230 -0.830 1.00 0.00 C ATOM 686 O ALA A 50 0.594 -12.456 -0.739 1.00 0.00 O ATOM 687 CB ALA A 50 0.296 -11.539 -3.331 1.00 0.00 C ATOM 0 H ALA A 50 2.214 -9.952 -3.011 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.574 -10.031 -2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.505 -12.252 -3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.088 -11.004 -4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.241 -12.073 -3.425 1.00 0.00 H new ATOM 693 N VAL A 51 0.892 -10.410 0.179 1.00 0.00 N ATOM 694 CA VAL A 51 1.150 -10.924 1.513 1.00 0.00 C ATOM 695 C VAL A 51 2.139 -12.088 1.425 1.00 0.00 C ATOM 696 O VAL A 51 1.880 -13.168 1.952 1.00 0.00 O ATOM 697 CB VAL A 51 -0.168 -11.309 2.189 1.00 0.00 C ATOM 698 CG1 VAL A 51 -0.883 -12.413 1.407 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.064 -11.729 3.642 1.00 0.00 C ATOM 0 H VAL A 51 0.925 -9.394 0.099 1.00 0.00 H new ATOM 0 HA VAL A 51 1.608 -10.156 2.136 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.812 -10.430 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.817 -12.668 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.097 -12.063 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.245 -13.295 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.888 -11.998 4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.735 -12.588 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.511 -10.901 4.193 1.00 0.00 H new ATOM 709 N GLU A 52 3.252 -11.827 0.754 1.00 0.00 N ATOM 710 CA GLU A 52 4.281 -12.840 0.590 1.00 0.00 C ATOM 711 C GLU A 52 4.668 -13.429 1.948 1.00 0.00 C ATOM 712 O GLU A 52 4.618 -12.738 2.965 1.00 0.00 O ATOM 713 CB GLU A 52 5.505 -12.266 -0.127 1.00 0.00 C ATOM 714 CG GLU A 52 6.372 -13.383 -0.711 1.00 0.00 C ATOM 715 CD GLU A 52 6.439 -13.285 -2.236 1.00 0.00 C ATOM 716 OE1 GLU A 52 7.274 -12.541 -2.773 1.00 0.00 O ATOM 717 OE2 GLU A 52 5.586 -14.017 -2.868 1.00 0.00 O ATOM 0 H GLU A 52 3.463 -10.929 0.318 1.00 0.00 H new ATOM 0 HA GLU A 52 3.879 -13.641 -0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.183 -11.596 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.094 -11.671 0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.378 -13.323 -0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.965 -14.352 -0.423 1.00 0.00 H new ATOM 725 N GLY A 53 5.043 -14.699 1.921 1.00 0.00 N ATOM 726 CA GLY A 53 5.438 -15.389 3.137 1.00 0.00 C ATOM 727 C GLY A 53 6.923 -15.757 3.102 1.00 0.00 C ATOM 728 O GLY A 53 7.721 -15.205 3.858 1.00 0.00 O ATOM 0 H GLY A 53 5.082 -15.269 1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.237 -14.755 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.839 -16.292 3.258 1.00 0.00 H new ATOM 732 N THR A 54 7.248 -16.687 2.216 1.00 0.00 N ATOM 733 CA THR A 54 8.623 -17.135 2.072 1.00 0.00 C ATOM 734 C THR A 54 9.284 -16.450 0.875 1.00 0.00 C ATOM 735 O THR A 54 8.739 -16.456 -0.228 1.00 0.00 O ATOM 736 CB THR A 54 8.614 -18.661 1.971 1.00 0.00 C ATOM 737 OG1 THR A 54 9.994 -19.013 1.911 1.00 0.00 O ATOM 738 CG2 THR A 54 8.046 -19.156 0.639 1.00 0.00 C ATOM 0 H THR A 54 6.583 -17.142 1.591 1.00 0.00 H new ATOM 0 HA THR A 54 9.223 -16.856 2.938 1.00 0.00 H new ATOM 0 HB THR A 54 8.029 -19.076 2.792 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.081 -19.987 1.846 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.062 -20.246 0.619 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.020 -18.806 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.651 -18.769 -0.181 1.00 0.00 H new ATOM 746 N GLY A 55 10.450 -15.875 1.133 1.00 0.00 N ATOM 747 CA GLY A 55 11.192 -15.187 0.090 1.00 0.00 C ATOM 748 C GLY A 55 12.510 -15.904 -0.210 1.00 0.00 C ATOM 749 O GLY A 55 12.901 -16.819 0.513 1.00 0.00 O ATOM 0 H GLY A 55 10.899 -15.872 2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.588 -15.134 -0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.394 -14.161 0.399 1.00 0.00 H new ATOM 753 N GLY A 56 13.158 -15.462 -1.278 1.00 0.00 N ATOM 754 CA GLY A 56 14.423 -16.050 -1.683 1.00 0.00 C ATOM 755 C GLY A 56 14.394 -16.451 -3.159 1.00 0.00 C ATOM 756 O GLY A 56 13.793 -17.462 -3.520 1.00 0.00 O ATOM 0 H GLY A 56 12.830 -14.703 -1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.230 -15.338 -1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.634 -16.925 -1.069 1.00 0.00 H new ATOM 760 N SER A 57 15.051 -15.637 -3.973 1.00 0.00 N ATOM 761 CA SER A 57 15.109 -15.895 -5.402 1.00 0.00 C ATOM 762 C SER A 57 16.553 -16.165 -5.827 1.00 0.00 C ATOM 763 O SER A 57 17.339 -15.233 -5.996 1.00 0.00 O ATOM 764 CB SER A 57 14.532 -14.721 -6.196 1.00 0.00 C ATOM 765 OG SER A 57 15.366 -13.568 -6.126 1.00 0.00 O ATOM 0 H SER A 57 15.547 -14.799 -3.670 1.00 0.00 H new ATOM 0 HA SER A 57 14.504 -16.776 -5.616 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.407 -15.015 -7.238 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.542 -14.476 -5.812 1.00 0.00 H new ATOM 0 HG SER A 57 16.299 -13.845 -6.010 1.00 0.00 H new ATOM 771 N GLY A 58 16.860 -17.444 -5.988 1.00 0.00 N ATOM 772 CA GLY A 58 18.196 -17.848 -6.391 1.00 0.00 C ATOM 773 C GLY A 58 18.184 -19.252 -6.999 1.00 0.00 C ATOM 774 O GLY A 58 17.125 -19.775 -7.340 1.00 0.00 O ATOM 0 H GLY A 58 16.206 -18.214 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 58 18.592 -17.137 -7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 58 18.862 -17.827 -5.528 1.00 0.00 H new ATOM 778 N GLY A 59 19.375 -19.822 -7.115 1.00 0.00 N ATOM 779 CA GLY A 59 19.515 -21.155 -7.676 1.00 0.00 C ATOM 780 C GLY A 59 20.934 -21.383 -8.201 1.00 0.00 C ATOM 781 O GLY A 59 21.662 -20.428 -8.466 1.00 0.00 O ATOM 0 H GLY A 59 20.251 -19.385 -6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 59 19.281 -21.900 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 59 18.798 -21.290 -8.486 1.00 0.00 H new ATOM 785 N GLY A 60 21.284 -22.654 -8.336 1.00 0.00 N ATOM 786 CA GLY A 60 22.602 -23.019 -8.824 1.00 0.00 C ATOM 787 C GLY A 60 23.688 -22.172 -8.157 1.00 0.00 C ATOM 788 O GLY A 60 24.055 -21.114 -8.665 1.00 0.00 O ATOM 0 H GLY A 60 20.677 -23.444 -8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 60 22.787 -24.075 -8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 60 22.644 -22.885 -9.905 1.00 0.00 H new ATOM 792 N PRO A 61 24.186 -22.684 -6.999 1.00 0.00 N ATOM 793 CA PRO A 61 25.222 -21.987 -6.257 1.00 0.00 C ATOM 794 C PRO A 61 26.581 -22.132 -6.945 1.00 0.00 C ATOM 795 O PRO A 61 26.866 -23.162 -7.554 1.00 0.00 O ATOM 796 CB PRO A 61 25.192 -22.602 -4.867 1.00 0.00 C ATOM 797 CG PRO A 61 24.466 -23.929 -5.014 1.00 0.00 C ATOM 798 CD PRO A 61 23.776 -23.936 -6.368 1.00 0.00 C ATOM 0 HA PRO A 61 25.052 -20.912 -6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 61 26.202 -22.750 -4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 61 24.675 -21.950 -4.163 1.00 0.00 H new ATOM 0 HG2 PRO A 61 25.169 -24.759 -4.940 1.00 0.00 H new ATOM 0 HG3 PRO A 61 23.737 -24.056 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 61 24.080 -24.797 -6.963 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.693 -23.989 -6.260 1.00 0.00 H new ATOM 806 N HIS A 62 27.384 -21.085 -6.825 1.00 0.00 N ATOM 807 CA HIS A 62 28.706 -21.083 -7.428 1.00 0.00 C ATOM 808 C HIS A 62 28.616 -21.604 -8.864 1.00 0.00 C ATOM 809 O HIS A 62 29.118 -22.685 -9.169 1.00 0.00 O ATOM 810 CB HIS A 62 29.695 -21.875 -6.571 1.00 0.00 C ATOM 811 CG HIS A 62 31.134 -21.736 -7.007 1.00 0.00 C ATOM 812 ND1 HIS A 62 32.201 -21.949 -6.151 1.00 0.00 N ATOM 813 CD2 HIS A 62 31.671 -21.403 -8.216 1.00 0.00 C ATOM 814 CE1 HIS A 62 33.324 -21.750 -6.825 1.00 0.00 C ATOM 815 NE2 HIS A 62 32.994 -21.411 -8.104 1.00 0.00 N ATOM 0 H HIS A 62 27.145 -20.232 -6.319 1.00 0.00 H new ATOM 0 HA HIS A 62 29.088 -20.063 -7.472 1.00 0.00 H new ATOM 0 HB2 HIS A 62 29.607 -21.547 -5.535 1.00 0.00 H new ATOM 0 HB3 HIS A 62 29.419 -22.929 -6.596 1.00 0.00 H new ATOM 0 HD2 HIS A 62 31.114 -21.172 -9.112 1.00 0.00 H new ATOM 0 HE1 HIS A 62 34.325 -21.840 -6.431 1.00 0.00 H new ATOM 0 HE2 HIS A 62 33.655 -21.199 -8.851 1.00 0.00 H new ATOM 823 N HIS A 63 27.973 -20.811 -9.708 1.00 0.00 N ATOM 824 CA HIS A 63 27.810 -21.178 -11.104 1.00 0.00 C ATOM 825 C HIS A 63 29.099 -21.822 -11.619 1.00 0.00 C ATOM 826 O HIS A 63 30.195 -21.359 -11.309 1.00 0.00 O ATOM 827 CB HIS A 63 27.378 -19.969 -11.937 1.00 0.00 C ATOM 828 CG HIS A 63 26.675 -20.330 -13.224 1.00 0.00 C ATOM 829 ND1 HIS A 63 25.311 -20.555 -13.295 1.00 0.00 N ATOM 830 CD2 HIS A 63 27.159 -20.500 -14.487 1.00 0.00 C ATOM 831 CE1 HIS A 63 25.000 -20.849 -14.549 1.00 0.00 C ATOM 832 NE2 HIS A 63 26.147 -20.815 -15.286 1.00 0.00 N ATOM 0 H HIS A 63 27.558 -19.915 -9.452 1.00 0.00 H new ATOM 0 HA HIS A 63 27.013 -21.915 -11.199 1.00 0.00 H new ATOM 0 HB2 HIS A 63 26.717 -19.344 -11.336 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.257 -19.369 -12.171 1.00 0.00 H new ATOM 0 HD1 HIS A 63 24.656 -20.503 -12.514 1.00 0.00 H new ATOM 0 HD2 HIS A 63 28.191 -20.396 -14.787 1.00 0.00 H new ATOM 0 HE1 HIS A 63 24.012 -21.076 -14.922 1.00 0.00 H new ATOM 840 N HIS A 64 28.924 -22.881 -12.395 1.00 0.00 N ATOM 841 CA HIS A 64 30.059 -23.594 -12.956 1.00 0.00 C ATOM 842 C HIS A 64 30.077 -23.418 -14.475 1.00 0.00 C ATOM 843 O HIS A 64 29.093 -22.973 -15.064 1.00 0.00 O ATOM 844 CB HIS A 64 30.042 -25.064 -12.529 1.00 0.00 C ATOM 845 CG HIS A 64 31.414 -25.661 -12.328 1.00 0.00 C ATOM 846 ND1 HIS A 64 32.356 -25.107 -11.479 1.00 0.00 N ATOM 847 CD2 HIS A 64 31.993 -26.769 -12.874 1.00 0.00 C ATOM 848 CE1 HIS A 64 33.448 -25.855 -11.520 1.00 0.00 C ATOM 849 NE2 HIS A 64 33.222 -26.884 -12.385 1.00 0.00 N ATOM 0 H HIS A 64 28.013 -23.263 -12.649 1.00 0.00 H new ATOM 0 HA HIS A 64 30.986 -23.173 -12.566 1.00 0.00 H new ATOM 0 HB2 HIS A 64 29.478 -25.156 -11.601 1.00 0.00 H new ATOM 0 HB3 HIS A 64 29.511 -25.645 -13.283 1.00 0.00 H new ATOM 0 HD2 HIS A 64 31.530 -27.439 -13.584 1.00 0.00 H new ATOM 0 HE1 HIS A 64 34.358 -25.680 -10.965 1.00 0.00 H new ATOM 0 HE2 HIS A 64 33.887 -27.621 -12.618 1.00 0.00 H new ATOM 857 N HIS A 65 31.207 -23.776 -15.067 1.00 0.00 N ATOM 858 CA HIS A 65 31.366 -23.663 -16.507 1.00 0.00 C ATOM 859 C HIS A 65 32.854 -23.690 -16.863 1.00 0.00 C ATOM 860 O HIS A 65 33.517 -22.654 -16.853 1.00 0.00 O ATOM 861 CB HIS A 65 30.652 -22.417 -17.036 1.00 0.00 C ATOM 862 CG HIS A 65 29.320 -22.703 -17.686 1.00 0.00 C ATOM 863 ND1 HIS A 65 28.130 -22.165 -17.226 1.00 0.00 N ATOM 864 CD2 HIS A 65 29.001 -23.474 -18.766 1.00 0.00 C ATOM 865 CE1 HIS A 65 27.147 -22.600 -18.000 1.00 0.00 C ATOM 866 NE2 HIS A 65 27.689 -23.412 -18.954 1.00 0.00 N ATOM 0 H HIS A 65 32.021 -24.145 -14.576 1.00 0.00 H new ATOM 0 HA HIS A 65 30.896 -24.516 -16.997 1.00 0.00 H new ATOM 0 HB2 HIS A 65 30.500 -21.720 -16.212 1.00 0.00 H new ATOM 0 HB3 HIS A 65 31.298 -21.920 -17.759 1.00 0.00 H new ATOM 0 HD2 HIS A 65 29.699 -24.039 -19.366 1.00 0.00 H new ATOM 0 HE1 HIS A 65 26.100 -22.355 -17.895 1.00 0.00 H new ATOM 0 HE2 HIS A 65 27.171 -23.892 -19.690 1.00 0.00 H new ATOM 874 N GLN A 66 33.335 -24.886 -17.169 1.00 0.00 N ATOM 875 CA GLN A 66 34.732 -25.061 -17.527 1.00 0.00 C ATOM 876 C GLN A 66 34.968 -26.473 -18.066 1.00 0.00 C ATOM 877 O GLN A 66 34.023 -27.239 -18.245 1.00 0.00 O ATOM 878 CB GLN A 66 35.645 -24.770 -16.334 1.00 0.00 C ATOM 879 CG GLN A 66 36.917 -24.047 -16.780 1.00 0.00 C ATOM 880 CD GLN A 66 36.914 -22.591 -16.308 1.00 0.00 C ATOM 881 OE1 GLN A 66 36.355 -22.246 -15.280 1.00 0.00 O ATOM 882 NE2 GLN A 66 37.569 -21.760 -17.114 1.00 0.00 N ATOM 0 H GLN A 66 32.782 -25.743 -17.176 1.00 0.00 H new ATOM 0 HA GLN A 66 34.978 -24.347 -18.313 1.00 0.00 H new ATOM 0 HB2 GLN A 66 35.113 -24.160 -15.604 1.00 0.00 H new ATOM 0 HB3 GLN A 66 35.908 -25.704 -15.837 1.00 0.00 H new ATOM 0 HG2 GLN A 66 37.791 -24.561 -16.380 1.00 0.00 H new ATOM 0 HG3 GLN A 66 36.997 -24.081 -17.867 1.00 0.00 H new ATOM 0 HE21 GLN A 66 38.015 -22.115 -17.960 1.00 0.00 H new ATOM 0 HE22 GLN A 66 37.625 -20.767 -16.886 1.00 0.00 H new ATOM 891 N THR A 67 36.235 -26.775 -18.310 1.00 0.00 N ATOM 892 CA THR A 67 36.608 -28.081 -18.826 1.00 0.00 C ATOM 893 C THR A 67 38.086 -28.362 -18.549 1.00 0.00 C ATOM 894 O THR A 67 38.817 -27.477 -18.106 1.00 0.00 O ATOM 895 CB THR A 67 36.250 -28.122 -20.313 1.00 0.00 C ATOM 896 OG1 THR A 67 34.825 -28.111 -20.327 1.00 0.00 O ATOM 897 CG2 THR A 67 36.619 -29.455 -20.967 1.00 0.00 C ATOM 0 H THR A 67 37.017 -26.137 -18.160 1.00 0.00 H new ATOM 0 HA THR A 67 36.059 -28.876 -18.323 1.00 0.00 H new ATOM 0 HB THR A 67 36.759 -27.310 -20.832 1.00 0.00 H new ATOM 0 HG1 THR A 67 34.487 -28.341 -19.436 1.00 0.00 H new ATOM 0 HG21 THR A 67 36.344 -29.431 -22.021 1.00 0.00 H new ATOM 0 HG22 THR A 67 37.693 -29.620 -20.876 1.00 0.00 H new ATOM 0 HG23 THR A 67 36.084 -30.264 -20.471 1.00 0.00 H new ATOM 905 N ARG A 68 38.482 -29.596 -18.822 1.00 0.00 N ATOM 906 CA ARG A 68 39.860 -30.005 -18.607 1.00 0.00 C ATOM 907 C ARG A 68 40.803 -29.162 -19.468 1.00 0.00 C ATOM 908 O ARG A 68 40.575 -28.995 -20.665 1.00 0.00 O ATOM 909 CB ARG A 68 40.055 -31.484 -18.948 1.00 0.00 C ATOM 910 CG ARG A 68 39.556 -32.379 -17.811 1.00 0.00 C ATOM 911 CD ARG A 68 40.721 -32.885 -16.960 1.00 0.00 C ATOM 912 NE ARG A 68 40.664 -32.278 -15.611 1.00 0.00 N ATOM 913 CZ ARG A 68 41.210 -31.084 -15.294 1.00 0.00 C ATOM 914 NH1 ARG A 68 41.860 -30.359 -16.229 1.00 0.00 N ATOM 915 NH2 ARG A 68 41.099 -30.637 -14.057 1.00 0.00 N ATOM 0 H ARG A 68 37.873 -30.327 -19.190 1.00 0.00 H new ATOM 0 HA ARG A 68 40.091 -29.853 -17.553 1.00 0.00 H new ATOM 0 HB2 ARG A 68 39.518 -31.723 -19.866 1.00 0.00 H new ATOM 0 HB3 ARG A 68 41.110 -31.682 -19.135 1.00 0.00 H new ATOM 0 HG2 ARG A 68 38.858 -31.823 -17.185 1.00 0.00 H new ATOM 0 HG3 ARG A 68 39.008 -33.226 -18.224 1.00 0.00 H new ATOM 0 HD2 ARG A 68 40.679 -33.971 -16.881 1.00 0.00 H new ATOM 0 HD3 ARG A 68 41.668 -32.636 -17.440 1.00 0.00 H new ATOM 0 HE ARG A 68 40.182 -32.794 -14.875 1.00 0.00 H new ATOM 0 HH11 ARG A 68 41.941 -30.712 -17.182 1.00 0.00 H new ATOM 0 HH12 ARG A 68 42.270 -29.458 -15.982 1.00 0.00 H new ATOM 0 HH21 ARG A 68 40.606 -31.191 -13.357 1.00 0.00 H new ATOM 0 HH22 ARG A 68 41.506 -29.737 -13.801 1.00 0.00 H new ATOM 928 N GLY A 69 41.843 -28.653 -18.824 1.00 0.00 N ATOM 929 CA GLY A 69 42.822 -27.831 -19.515 1.00 0.00 C ATOM 930 C GLY A 69 44.197 -28.503 -19.519 1.00 0.00 C ATOM 931 O GLY A 69 44.711 -28.866 -20.576 1.00 0.00 O ATOM 0 H GLY A 69 42.029 -28.794 -17.831 1.00 0.00 H new ATOM 0 HA2 GLY A 69 42.496 -27.655 -20.540 1.00 0.00 H new ATOM 0 HA3 GLY A 69 42.891 -26.857 -19.031 1.00 0.00 H new ATOM 935 N ALA A 70 44.753 -28.647 -18.325 1.00 0.00 N ATOM 936 CA ALA A 70 46.058 -29.269 -18.178 1.00 0.00 C ATOM 937 C ALA A 70 47.078 -28.512 -19.032 1.00 0.00 C ATOM 938 O ALA A 70 46.709 -27.644 -19.821 1.00 0.00 O ATOM 939 CB ALA A 70 45.965 -30.749 -18.556 1.00 0.00 C ATOM 0 H ALA A 70 44.324 -28.344 -17.451 1.00 0.00 H new ATOM 0 HA ALA A 70 46.392 -29.218 -17.142 1.00 0.00 H new ATOM 0 HB1 ALA A 70 46.944 -31.215 -18.446 1.00 0.00 H new ATOM 0 HB2 ALA A 70 45.250 -31.247 -17.901 1.00 0.00 H new ATOM 0 HB3 ALA A 70 45.634 -30.840 -19.591 1.00 0.00 H new ATOM 945 N TYR A 71 48.340 -28.870 -18.844 1.00 0.00 N ATOM 946 CA TYR A 71 49.415 -28.235 -19.587 1.00 0.00 C ATOM 947 C TYR A 71 49.790 -29.059 -20.821 1.00 0.00 C ATOM 948 O TYR A 71 49.341 -30.194 -20.973 1.00 0.00 O ATOM 949 CB TYR A 71 50.614 -28.188 -18.637 1.00 0.00 C ATOM 950 CG TYR A 71 50.437 -27.226 -17.461 1.00 0.00 C ATOM 951 CD1 TYR A 71 50.583 -25.867 -17.653 1.00 0.00 C ATOM 952 CD2 TYR A 71 50.133 -27.717 -16.207 1.00 0.00 C ATOM 953 CE1 TYR A 71 50.417 -24.962 -16.546 1.00 0.00 C ATOM 954 CE2 TYR A 71 49.967 -26.811 -15.100 1.00 0.00 C ATOM 955 CZ TYR A 71 50.117 -25.478 -15.324 1.00 0.00 C ATOM 956 OH TYR A 71 49.961 -24.623 -14.278 1.00 0.00 O ATOM 0 H TYR A 71 48.642 -29.591 -18.189 1.00 0.00 H new ATOM 0 HA TYR A 71 49.113 -27.245 -19.928 1.00 0.00 H new ATOM 0 HB2 TYR A 71 50.797 -29.190 -18.249 1.00 0.00 H new ATOM 0 HB3 TYR A 71 51.500 -27.897 -19.201 1.00 0.00 H new ATOM 0 HD1 TYR A 71 50.822 -25.483 -18.634 1.00 0.00 H new ATOM 0 HD2 TYR A 71 50.020 -28.780 -16.056 1.00 0.00 H new ATOM 0 HE1 TYR A 71 50.528 -23.897 -16.683 1.00 0.00 H new ATOM 0 HE2 TYR A 71 49.729 -27.182 -14.114 1.00 0.00 H new ATOM 0 HH TYR A 71 49.748 -25.132 -13.468 1.00 0.00 H new ATOM 966 N SER A 72 50.609 -28.456 -21.670 1.00 0.00 N ATOM 967 CA SER A 72 51.049 -29.120 -22.885 1.00 0.00 C ATOM 968 C SER A 72 51.609 -30.504 -22.552 1.00 0.00 C ATOM 969 O SER A 72 51.118 -31.514 -23.055 1.00 0.00 O ATOM 970 CB SER A 72 52.100 -28.285 -23.619 1.00 0.00 C ATOM 971 OG SER A 72 53.198 -27.948 -22.776 1.00 0.00 O ATOM 0 H SER A 72 50.979 -27.515 -21.540 1.00 0.00 H new ATOM 0 HA SER A 72 50.188 -29.233 -23.544 1.00 0.00 H new ATOM 0 HB2 SER A 72 52.464 -28.839 -24.484 1.00 0.00 H new ATOM 0 HB3 SER A 72 51.639 -27.372 -23.996 1.00 0.00 H new ATOM 0 HG SER A 72 53.848 -27.417 -23.282 1.00 0.00 H new ATOM 977 N SER A 73 52.628 -30.507 -21.706 1.00 0.00 N ATOM 978 CA SER A 73 53.260 -31.751 -21.299 1.00 0.00 C ATOM 979 C SER A 73 53.907 -32.428 -22.509 1.00 0.00 C ATOM 980 O SER A 73 53.230 -33.104 -23.282 1.00 0.00 O ATOM 981 CB SER A 73 52.250 -32.692 -20.640 1.00 0.00 C ATOM 982 OG SER A 73 52.715 -33.181 -19.385 1.00 0.00 O ATOM 0 H SER A 73 53.032 -29.668 -21.291 1.00 0.00 H new ATOM 0 HA SER A 73 54.031 -31.519 -20.565 1.00 0.00 H new ATOM 0 HB2 SER A 73 51.305 -32.167 -20.497 1.00 0.00 H new ATOM 0 HB3 SER A 73 52.050 -33.532 -21.305 1.00 0.00 H new ATOM 0 HG SER A 73 52.041 -33.777 -18.996 1.00 0.00 H new ATOM 988 N HIS A 74 55.211 -32.224 -22.634 1.00 0.00 N ATOM 989 CA HIS A 74 55.956 -32.807 -23.736 1.00 0.00 C ATOM 990 C HIS A 74 57.153 -33.589 -23.190 1.00 0.00 C ATOM 991 O HIS A 74 57.531 -33.422 -22.031 1.00 0.00 O ATOM 992 CB HIS A 74 56.362 -31.732 -24.746 1.00 0.00 C ATOM 993 CG HIS A 74 57.083 -30.555 -24.134 1.00 0.00 C ATOM 994 ND1 HIS A 74 58.460 -30.506 -24.000 1.00 0.00 N ATOM 995 CD2 HIS A 74 56.605 -29.384 -23.623 1.00 0.00 C ATOM 996 CE1 HIS A 74 58.784 -29.354 -23.431 1.00 0.00 C ATOM 997 NE2 HIS A 74 57.633 -28.661 -23.198 1.00 0.00 N ATOM 0 H HIS A 74 55.769 -31.663 -21.990 1.00 0.00 H new ATOM 0 HA HIS A 74 55.322 -33.510 -24.276 1.00 0.00 H new ATOM 0 HB2 HIS A 74 57.003 -32.183 -25.504 1.00 0.00 H new ATOM 0 HB3 HIS A 74 55.469 -31.372 -25.257 1.00 0.00 H new ATOM 0 HD2 HIS A 74 55.566 -29.094 -23.573 1.00 0.00 H new ATOM 0 HE1 HIS A 74 59.784 -29.022 -23.194 1.00 0.00 H new ATOM 0 HE2 HIS A 74 57.572 -27.738 -22.768 1.00 0.00 H new ATOM 1005 N ASP A 75 57.715 -34.426 -24.049 1.00 0.00 N ATOM 1006 CA ASP A 75 58.860 -35.234 -23.667 1.00 0.00 C ATOM 1007 C ASP A 75 59.434 -35.918 -24.910 1.00 0.00 C ATOM 1008 O ASP A 75 59.523 -35.306 -25.974 1.00 0.00 O ATOM 1009 CB ASP A 75 58.458 -36.324 -22.672 1.00 0.00 C ATOM 1010 CG ASP A 75 57.306 -37.222 -23.127 1.00 0.00 C ATOM 1011 OD1 ASP A 75 56.181 -36.753 -23.354 1.00 0.00 O ATOM 1012 OD2 ASP A 75 57.605 -38.472 -23.248 1.00 0.00 O ATOM 0 H ASP A 75 57.398 -34.562 -25.009 1.00 0.00 H new ATOM 0 HA ASP A 75 59.596 -34.577 -23.204 1.00 0.00 H new ATOM 0 HB2 ASP A 75 59.328 -36.949 -22.470 1.00 0.00 H new ATOM 0 HB3 ASP A 75 58.180 -35.851 -21.730 1.00 0.00 H new TER 1018 ASP A 75