USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=17 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 Single : A 1 MET CE :methyl 163:sc=-0.00419 (180deg=-0.102) 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 133:sc= 0.0112 USER MOD Single : A 10 SER OG : rot -58:sc= 1.24 USER MOD Single : A 11 SER OG : rot 44:sc= 0.832 USER MOD Single : A 13 CYS SG : rot 52:sc= -0.241 USER MOD Single : A 14 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 15 SER OG : rot 46:sc= 0.584 USER MOD Single : A 16 HIS : no HE2:sc= -0.272 K(o=-0.27,f=-2!) 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= -0.776 K(o=-0.78,f=-2!) USER MOD Single : A 35 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.21) 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 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-0.21) USER MOD Single : A 64 HIS : no HD1:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-2.4!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0664 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 42:sc= 0.141 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.00021) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.352 18.184 -19.416 1.00 0.00 N ATOM 2 CA MET A 1 -27.503 17.346 -18.587 1.00 0.00 C ATOM 3 C MET A 1 -28.071 15.930 -18.475 1.00 0.00 C ATOM 4 O MET A 1 -29.270 15.753 -18.270 1.00 0.00 O ATOM 5 CB MET A 1 -27.384 17.961 -17.192 1.00 0.00 C ATOM 6 CG MET A 1 -25.935 17.938 -16.703 1.00 0.00 C ATOM 7 SD MET A 1 -25.275 19.596 -16.670 1.00 0.00 S ATOM 8 CE MET A 1 -26.137 20.244 -15.247 1.00 0.00 C ATOM 0 H1 MET A 1 -27.945 19.139 -19.476 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.418 17.775 -20.370 1.00 0.00 H new ATOM 0 H3 MET A 1 -29.302 18.239 -18.996 1.00 0.00 H new ATOM 0 HA MET A 1 -26.519 17.286 -19.052 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.748 18.988 -17.212 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.016 17.412 -16.494 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.886 17.498 -15.707 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.331 17.310 -17.359 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.636 21.147 -14.899 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.165 20.481 -15.521 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.137 19.499 -14.451 1.00 0.00 H new ATOM 18 N GLU A 2 -27.182 14.957 -18.615 1.00 0.00 N ATOM 19 CA GLU A 2 -27.579 13.562 -18.532 1.00 0.00 C ATOM 20 C GLU A 2 -27.202 12.983 -17.167 1.00 0.00 C ATOM 21 O GLU A 2 -26.201 12.280 -17.042 1.00 0.00 O ATOM 22 CB GLU A 2 -26.956 12.746 -19.665 1.00 0.00 C ATOM 23 CG GLU A 2 -27.959 11.739 -20.232 1.00 0.00 C ATOM 24 CD GLU A 2 -27.751 10.353 -19.619 1.00 0.00 C ATOM 25 OE1 GLU A 2 -26.636 10.029 -19.182 1.00 0.00 O ATOM 26 OE2 GLU A 2 -28.798 9.600 -19.606 1.00 0.00 O ATOM 0 H GLU A 2 -26.188 15.108 -18.785 1.00 0.00 H new ATOM 0 HA GLU A 2 -28.662 13.506 -18.642 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -26.620 13.415 -20.457 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -26.075 12.220 -19.297 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -28.975 12.080 -20.032 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -27.849 11.682 -21.315 1.00 0.00 H new ATOM 34 N VAL A 3 -28.024 13.300 -16.177 1.00 0.00 N ATOM 35 CA VAL A 3 -27.789 12.820 -14.826 1.00 0.00 C ATOM 36 C VAL A 3 -29.083 12.226 -14.268 1.00 0.00 C ATOM 37 O VAL A 3 -30.165 12.479 -14.796 1.00 0.00 O ATOM 38 CB VAL A 3 -27.227 13.950 -13.960 1.00 0.00 C ATOM 39 CG1 VAL A 3 -26.953 13.464 -12.535 1.00 0.00 C ATOM 40 CG2 VAL A 3 -25.966 14.547 -14.587 1.00 0.00 C ATOM 0 H VAL A 3 -28.854 13.884 -16.284 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.042 12.027 -14.827 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.979 14.737 -13.907 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -26.554 14.286 -11.941 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -27.881 13.109 -12.087 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -26.228 12.650 -12.561 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -25.588 15.348 -13.951 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -25.206 13.772 -14.685 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -26.204 14.948 -15.572 1.00 0.00 H new ATOM 50 N ALA A 4 -28.930 11.447 -13.207 1.00 0.00 N ATOM 51 CA ALA A 4 -30.074 10.815 -12.572 1.00 0.00 C ATOM 52 C ALA A 4 -30.659 11.764 -11.524 1.00 0.00 C ATOM 53 O ALA A 4 -29.926 12.327 -10.713 1.00 0.00 O ATOM 54 CB ALA A 4 -29.647 9.475 -11.970 1.00 0.00 C ATOM 0 H ALA A 4 -28.031 11.239 -12.771 1.00 0.00 H new ATOM 0 HA ALA A 4 -30.855 10.610 -13.304 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -30.505 9.000 -11.493 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -29.265 8.827 -12.759 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -28.866 9.642 -11.228 1.00 0.00 H new ATOM 60 N MET A 5 -31.975 11.913 -11.577 1.00 0.00 N ATOM 61 CA MET A 5 -32.667 12.784 -10.643 1.00 0.00 C ATOM 62 C MET A 5 -32.226 12.507 -9.204 1.00 0.00 C ATOM 63 O MET A 5 -31.977 11.360 -8.838 1.00 0.00 O ATOM 64 CB MET A 5 -34.177 12.567 -10.765 1.00 0.00 C ATOM 65 CG MET A 5 -34.912 13.900 -10.913 1.00 0.00 C ATOM 66 SD MET A 5 -35.047 14.703 -9.324 1.00 0.00 S ATOM 67 CE MET A 5 -36.031 16.122 -9.777 1.00 0.00 C ATOM 0 H MET A 5 -32.580 11.445 -12.252 1.00 0.00 H new ATOM 0 HA MET A 5 -32.418 13.817 -10.887 1.00 0.00 H new ATOM 0 HB2 MET A 5 -34.389 11.933 -11.626 1.00 0.00 H new ATOM 0 HB3 MET A 5 -34.545 12.041 -9.884 1.00 0.00 H new ATOM 0 HG2 MET A 5 -34.377 14.544 -11.611 1.00 0.00 H new ATOM 0 HG3 MET A 5 -35.905 13.733 -11.331 1.00 0.00 H new ATOM 0 HE1 MET A 5 -36.211 16.737 -8.895 1.00 0.00 H new ATOM 0 HE2 MET A 5 -35.500 16.709 -10.526 1.00 0.00 H new ATOM 0 HE3 MET A 5 -36.984 15.788 -10.187 1.00 0.00 H new ATOM 77 N VAL A 6 -32.143 13.578 -8.428 1.00 0.00 N ATOM 78 CA VAL A 6 -31.736 13.464 -7.038 1.00 0.00 C ATOM 79 C VAL A 6 -32.981 13.379 -6.152 1.00 0.00 C ATOM 80 O VAL A 6 -34.060 13.817 -6.548 1.00 0.00 O ATOM 81 CB VAL A 6 -30.817 14.629 -6.665 1.00 0.00 C ATOM 82 CG1 VAL A 6 -29.952 14.278 -5.452 1.00 0.00 C ATOM 83 CG2 VAL A 6 -29.950 15.045 -7.855 1.00 0.00 C ATOM 0 H VAL A 6 -32.351 14.528 -8.735 1.00 0.00 H new ATOM 0 HA VAL A 6 -31.162 12.551 -6.882 1.00 0.00 H new ATOM 0 HB VAL A 6 -31.444 15.478 -6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -29.308 15.123 -5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -30.594 14.053 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -29.337 13.408 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -29.306 15.875 -7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -29.335 14.202 -8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -30.590 15.355 -8.681 1.00 0.00 H new ATOM 93 N SER A 7 -32.789 12.811 -4.970 1.00 0.00 N ATOM 94 CA SER A 7 -33.883 12.662 -4.025 1.00 0.00 C ATOM 95 C SER A 7 -33.387 11.967 -2.756 1.00 0.00 C ATOM 96 O SER A 7 -32.294 11.404 -2.739 1.00 0.00 O ATOM 97 CB SER A 7 -35.041 11.877 -4.643 1.00 0.00 C ATOM 98 OG SER A 7 -34.657 10.552 -5.001 1.00 0.00 O ATOM 0 H SER A 7 -31.892 12.449 -4.645 1.00 0.00 H new ATOM 0 HA SER A 7 -34.250 13.655 -3.767 1.00 0.00 H new ATOM 0 HB2 SER A 7 -35.869 11.836 -3.936 1.00 0.00 H new ATOM 0 HB3 SER A 7 -35.403 12.401 -5.528 1.00 0.00 H new ATOM 0 HG SER A 7 -35.331 9.918 -4.678 1.00 0.00 H new ATOM 104 N ALA A 8 -34.215 12.029 -1.723 1.00 0.00 N ATOM 105 CA ALA A 8 -33.874 11.413 -0.453 1.00 0.00 C ATOM 106 C ALA A 8 -34.217 9.923 -0.505 1.00 0.00 C ATOM 107 O ALA A 8 -35.088 9.456 0.227 1.00 0.00 O ATOM 108 CB ALA A 8 -34.603 12.139 0.680 1.00 0.00 C ATOM 0 H ALA A 8 -35.121 12.497 -1.740 1.00 0.00 H new ATOM 0 HA ALA A 8 -32.805 11.499 -0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -34.347 11.676 1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -34.303 13.187 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -35.679 12.072 0.522 1.00 0.00 H new ATOM 114 N GLU A 9 -33.514 9.217 -1.379 1.00 0.00 N ATOM 115 CA GLU A 9 -33.733 7.789 -1.537 1.00 0.00 C ATOM 116 C GLU A 9 -35.187 7.516 -1.928 1.00 0.00 C ATOM 117 O GLU A 9 -36.079 8.298 -1.603 1.00 0.00 O ATOM 118 CB GLU A 9 -33.356 7.032 -0.262 1.00 0.00 C ATOM 119 CG GLU A 9 -33.884 5.597 -0.301 1.00 0.00 C ATOM 120 CD GLU A 9 -33.158 4.774 -1.368 1.00 0.00 C ATOM 121 OE1 GLU A 9 -33.792 4.301 -2.323 1.00 0.00 O ATOM 122 OE2 GLU A 9 -31.890 4.635 -1.179 1.00 0.00 O ATOM 0 H GLU A 9 -32.792 9.607 -1.985 1.00 0.00 H new ATOM 0 HA GLU A 9 -33.088 7.428 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -32.272 7.022 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -33.763 7.550 0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -33.752 5.131 0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -34.954 5.605 -0.508 1.00 0.00 H new ATOM 130 N SER A 10 -35.380 6.402 -2.620 1.00 0.00 N ATOM 131 CA SER A 10 -36.710 6.016 -3.059 1.00 0.00 C ATOM 132 C SER A 10 -37.331 7.135 -3.896 1.00 0.00 C ATOM 133 O SER A 10 -36.800 8.244 -3.949 1.00 0.00 O ATOM 134 CB SER A 10 -37.609 5.683 -1.866 1.00 0.00 C ATOM 135 OG SER A 10 -38.190 6.852 -1.294 1.00 0.00 O ATOM 0 H SER A 10 -34.638 5.755 -2.887 1.00 0.00 H new ATOM 0 HA SER A 10 -36.620 5.120 -3.673 1.00 0.00 H new ATOM 0 HB2 SER A 10 -38.400 5.004 -2.186 1.00 0.00 H new ATOM 0 HB3 SER A 10 -37.027 5.159 -1.108 1.00 0.00 H new ATOM 0 HG SER A 10 -37.480 7.464 -1.008 1.00 0.00 H new ATOM 141 N SER A 11 -38.448 6.808 -4.530 1.00 0.00 N ATOM 142 CA SER A 11 -39.147 7.772 -5.362 1.00 0.00 C ATOM 143 C SER A 11 -40.372 8.312 -4.620 1.00 0.00 C ATOM 144 O SER A 11 -41.493 7.864 -4.858 1.00 0.00 O ATOM 145 CB SER A 11 -39.565 7.149 -6.695 1.00 0.00 C ATOM 146 OG SER A 11 -40.468 6.061 -6.516 1.00 0.00 O ATOM 0 H SER A 11 -38.886 5.888 -4.484 1.00 0.00 H new ATOM 0 HA SER A 11 -38.467 8.597 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 11 -40.033 7.910 -7.320 1.00 0.00 H new ATOM 0 HB3 SER A 11 -38.679 6.801 -7.226 1.00 0.00 H new ATOM 0 HG SER A 11 -41.145 6.304 -5.851 1.00 0.00 H new ATOM 152 N GLY A 12 -40.117 9.266 -3.737 1.00 0.00 N ATOM 153 CA GLY A 12 -41.185 9.871 -2.960 1.00 0.00 C ATOM 154 C GLY A 12 -41.748 8.881 -1.938 1.00 0.00 C ATOM 155 O GLY A 12 -41.269 8.812 -0.807 1.00 0.00 O ATOM 0 H GLY A 12 -39.186 9.635 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -40.809 10.756 -2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -41.981 10.203 -3.626 1.00 0.00 H new ATOM 159 N CYS A 13 -42.756 8.140 -2.373 1.00 0.00 N ATOM 160 CA CYS A 13 -43.389 7.157 -1.509 1.00 0.00 C ATOM 161 C CYS A 13 -44.529 6.497 -2.288 1.00 0.00 C ATOM 162 O CYS A 13 -45.680 6.525 -1.854 1.00 0.00 O ATOM 163 CB CYS A 13 -43.879 7.784 -0.203 1.00 0.00 C ATOM 164 SG CYS A 13 -45.089 9.111 -0.559 1.00 0.00 S ATOM 0 H CYS A 13 -43.150 8.200 -3.312 1.00 0.00 H new ATOM 0 HA CYS A 13 -42.660 6.399 -1.221 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -44.338 7.021 0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -43.035 8.191 0.354 1.00 0.00 H new ATOM 0 HG CYS A 13 -46.017 8.653 -1.346 1.00 0.00 H new ATOM 170 N ASN A 14 -44.169 5.919 -3.425 1.00 0.00 N ATOM 171 CA ASN A 14 -45.147 5.253 -4.268 1.00 0.00 C ATOM 172 C ASN A 14 -45.054 3.741 -4.053 1.00 0.00 C ATOM 173 O ASN A 14 -45.431 2.962 -4.927 1.00 0.00 O ATOM 174 CB ASN A 14 -44.883 5.537 -5.748 1.00 0.00 C ATOM 175 CG ASN A 14 -45.974 6.434 -6.337 1.00 0.00 C ATOM 176 OD1 ASN A 14 -46.124 7.590 -5.976 1.00 0.00 O ATOM 177 ND2 ASN A 14 -46.723 5.840 -7.260 1.00 0.00 N ATOM 0 H ASN A 14 -43.214 5.898 -3.782 1.00 0.00 H new ATOM 0 HA ASN A 14 -46.135 5.628 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -43.911 6.017 -5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -44.841 4.598 -6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -47.478 6.355 -7.713 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -46.543 4.869 -7.515 1.00 0.00 H new ATOM 184 N SER A 15 -44.551 3.371 -2.884 1.00 0.00 N ATOM 185 CA SER A 15 -44.404 1.967 -2.543 1.00 0.00 C ATOM 186 C SER A 15 -43.748 1.828 -1.168 1.00 0.00 C ATOM 187 O SER A 15 -42.529 1.694 -1.068 1.00 0.00 O ATOM 188 CB SER A 15 -43.582 1.226 -3.600 1.00 0.00 C ATOM 189 OG SER A 15 -42.298 1.815 -3.787 1.00 0.00 O ATOM 0 H SER A 15 -44.240 4.020 -2.161 1.00 0.00 H new ATOM 0 HA SER A 15 -45.396 1.517 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 15 -43.463 0.184 -3.302 1.00 0.00 H new ATOM 0 HB3 SER A 15 -44.123 1.227 -4.546 1.00 0.00 H new ATOM 0 HG SER A 15 -41.892 1.998 -2.914 1.00 0.00 H new ATOM 195 N HIS A 16 -44.585 1.865 -0.142 1.00 0.00 N ATOM 196 CA HIS A 16 -44.102 1.745 1.223 1.00 0.00 C ATOM 197 C HIS A 16 -45.289 1.603 2.178 1.00 0.00 C ATOM 198 O HIS A 16 -45.429 2.380 3.121 1.00 0.00 O ATOM 199 CB HIS A 16 -43.190 2.920 1.582 1.00 0.00 C ATOM 200 CG HIS A 16 -42.591 2.832 2.965 1.00 0.00 C ATOM 201 ND1 HIS A 16 -42.594 3.895 3.852 1.00 0.00 N ATOM 202 CD2 HIS A 16 -41.972 1.799 3.605 1.00 0.00 C ATOM 203 CE1 HIS A 16 -42.000 3.507 4.971 1.00 0.00 C ATOM 204 NE2 HIS A 16 -41.615 2.208 4.816 1.00 0.00 N ATOM 0 H HIS A 16 -45.595 1.976 -0.229 1.00 0.00 H new ATOM 0 HA HIS A 16 -43.494 0.845 1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -42.384 2.977 0.851 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -43.759 3.846 1.502 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -42.987 4.819 3.674 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -41.801 0.814 3.195 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -41.847 4.113 5.852 1.00 0.00 H new ATOM 212 N MET A 17 -46.115 0.605 1.899 1.00 0.00 N ATOM 213 CA MET A 17 -47.286 0.351 2.721 1.00 0.00 C ATOM 214 C MET A 17 -46.893 -0.287 4.054 1.00 0.00 C ATOM 215 O MET A 17 -47.289 0.190 5.116 1.00 0.00 O ATOM 216 CB MET A 17 -48.244 -0.579 1.972 1.00 0.00 C ATOM 217 CG MET A 17 -49.622 0.067 1.813 1.00 0.00 C ATOM 218 SD MET A 17 -50.766 -1.104 1.101 1.00 0.00 S ATOM 219 CE MET A 17 -51.622 -0.041 -0.049 1.00 0.00 C ATOM 0 H MET A 17 -45.996 -0.037 1.115 1.00 0.00 H new ATOM 0 HA MET A 17 -47.776 1.303 2.926 1.00 0.00 H new ATOM 0 HB2 MET A 17 -47.834 -0.816 0.990 1.00 0.00 H new ATOM 0 HB3 MET A 17 -48.340 -1.521 2.513 1.00 0.00 H new ATOM 0 HG2 MET A 17 -49.989 0.403 2.783 1.00 0.00 H new ATOM 0 HG3 MET A 17 -49.548 0.949 1.177 1.00 0.00 H new ATOM 0 HE1 MET A 17 -52.378 -0.617 -0.583 1.00 0.00 H new ATOM 0 HE2 MET A 17 -52.102 0.772 0.495 1.00 0.00 H new ATOM 0 HE3 MET A 17 -50.909 0.372 -0.763 1.00 0.00 H new ATOM 229 N PRO A 18 -46.097 -1.385 3.953 1.00 0.00 N ATOM 230 CA PRO A 18 -45.645 -2.094 5.138 1.00 0.00 C ATOM 231 C PRO A 18 -44.539 -1.316 5.854 1.00 0.00 C ATOM 232 O PRO A 18 -44.023 -0.334 5.323 1.00 0.00 O ATOM 233 CB PRO A 18 -45.184 -3.452 4.633 1.00 0.00 C ATOM 234 CG PRO A 18 -44.960 -3.286 3.139 1.00 0.00 C ATOM 235 CD PRO A 18 -45.608 -1.979 2.712 1.00 0.00 C ATOM 0 HA PRO A 18 -46.431 -2.207 5.885 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -44.267 -3.764 5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -45.933 -4.218 4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -43.894 -3.275 2.912 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -45.394 -4.123 2.593 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -44.891 -1.325 2.216 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -46.422 -2.152 2.008 1.00 0.00 H new ATOM 243 N TYR A 19 -44.208 -1.785 7.048 1.00 0.00 N ATOM 244 CA TYR A 19 -43.172 -1.145 7.842 1.00 0.00 C ATOM 245 C TYR A 19 -41.853 -1.077 7.071 1.00 0.00 C ATOM 246 O TYR A 19 -41.646 -1.830 6.120 1.00 0.00 O ATOM 247 CB TYR A 19 -42.982 -2.028 9.077 1.00 0.00 C ATOM 248 CG TYR A 19 -44.014 -1.786 10.181 1.00 0.00 C ATOM 249 CD1 TYR A 19 -44.155 -0.527 10.729 1.00 0.00 C ATOM 250 CD2 TYR A 19 -44.803 -2.826 10.628 1.00 0.00 C ATOM 251 CE1 TYR A 19 -45.126 -0.299 11.767 1.00 0.00 C ATOM 252 CE2 TYR A 19 -45.774 -2.598 11.666 1.00 0.00 C ATOM 253 CZ TYR A 19 -45.888 -1.345 12.185 1.00 0.00 C ATOM 254 OH TYR A 19 -46.805 -1.130 13.166 1.00 0.00 O ATOM 0 H TYR A 19 -44.638 -2.600 7.485 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.459 -0.125 8.097 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -43.028 -3.074 8.774 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -41.985 -1.858 9.483 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -43.537 0.287 10.379 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -44.692 -3.811 10.199 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -45.247 0.681 12.204 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -46.398 -3.403 12.025 1.00 0.00 H new ATOM 0 HH TYR A 19 -47.277 -1.966 13.362 1.00 0.00 H new ATOM 264 N GLY A 20 -40.995 -0.167 7.508 1.00 0.00 N ATOM 265 CA GLY A 20 -39.701 0.009 6.870 1.00 0.00 C ATOM 266 C GLY A 20 -38.713 0.696 7.815 1.00 0.00 C ATOM 267 O GLY A 20 -38.223 0.080 8.761 1.00 0.00 O ATOM 0 H GLY A 20 -41.170 0.456 8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -39.306 -0.961 6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -39.816 0.603 5.964 1.00 0.00 H new ATOM 271 N TYR A 21 -38.450 1.962 7.527 1.00 0.00 N ATOM 272 CA TYR A 21 -37.529 2.738 8.339 1.00 0.00 C ATOM 273 C TYR A 21 -38.239 3.333 9.557 1.00 0.00 C ATOM 274 O TYR A 21 -38.064 4.510 9.868 1.00 0.00 O ATOM 275 CB TYR A 21 -37.035 3.877 7.445 1.00 0.00 C ATOM 276 CG TYR A 21 -36.157 3.417 6.279 1.00 0.00 C ATOM 277 CD1 TYR A 21 -36.740 2.969 5.112 1.00 0.00 C ATOM 278 CD2 TYR A 21 -34.782 3.451 6.396 1.00 0.00 C ATOM 279 CE1 TYR A 21 -35.913 2.536 4.015 1.00 0.00 C ATOM 280 CE2 TYR A 21 -33.956 3.018 5.299 1.00 0.00 C ATOM 281 CZ TYR A 21 -34.562 2.582 4.162 1.00 0.00 C ATOM 282 OH TYR A 21 -33.782 2.173 3.126 1.00 0.00 O ATOM 0 H TYR A 21 -38.859 2.470 6.742 1.00 0.00 H new ATOM 0 HA TYR A 21 -36.716 2.110 8.703 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -37.897 4.413 7.048 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -36.472 4.585 8.053 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -37.816 2.943 5.021 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -34.326 3.802 7.310 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -36.356 2.183 3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -32.879 3.039 5.377 1.00 0.00 H new ATOM 0 HH TYR A 21 -32.838 2.262 3.372 1.00 0.00 H new ATOM 292 N ALA A 22 -39.026 2.492 10.212 1.00 0.00 N ATOM 293 CA ALA A 22 -39.763 2.920 11.389 1.00 0.00 C ATOM 294 C ALA A 22 -38.900 2.703 12.633 1.00 0.00 C ATOM 295 O ALA A 22 -38.422 3.662 13.236 1.00 0.00 O ATOM 296 CB ALA A 22 -41.092 2.165 11.461 1.00 0.00 C ATOM 0 H ALA A 22 -39.169 1.517 9.950 1.00 0.00 H new ATOM 0 HA ALA A 22 -39.995 3.983 11.331 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -41.645 2.486 12.344 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -41.680 2.377 10.568 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -40.899 1.094 11.523 1.00 0.00 H new ATOM 302 N ALA A 23 -38.728 1.436 12.981 1.00 0.00 N ATOM 303 CA ALA A 23 -37.931 1.081 14.143 1.00 0.00 C ATOM 304 C ALA A 23 -36.474 0.890 13.718 1.00 0.00 C ATOM 305 O ALA A 23 -35.678 0.311 14.456 1.00 0.00 O ATOM 306 CB ALA A 23 -38.515 -0.172 14.799 1.00 0.00 C ATOM 0 H ALA A 23 -39.127 0.643 12.479 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.957 1.880 14.884 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -37.917 -0.439 15.671 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.541 0.024 15.109 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.503 -0.996 14.085 1.00 0.00 H new ATOM 312 N GLN A 24 -36.168 1.389 12.529 1.00 0.00 N ATOM 313 CA GLN A 24 -34.820 1.281 11.996 1.00 0.00 C ATOM 314 C GLN A 24 -33.944 2.413 12.536 1.00 0.00 C ATOM 315 O GLN A 24 -32.754 2.482 12.230 1.00 0.00 O ATOM 316 CB GLN A 24 -34.833 1.279 10.466 1.00 0.00 C ATOM 317 CG GLN A 24 -33.719 0.391 9.909 1.00 0.00 C ATOM 318 CD GLN A 24 -33.970 -1.081 10.246 1.00 0.00 C ATOM 319 OE1 GLN A 24 -33.666 -1.557 11.327 1.00 0.00 O ATOM 320 NE2 GLN A 24 -34.542 -1.771 9.263 1.00 0.00 N ATOM 0 H GLN A 24 -36.830 1.869 11.920 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.396 0.332 12.323 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.799 0.924 10.108 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -34.710 2.297 10.096 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -33.657 0.515 8.828 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -32.760 0.704 10.321 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -34.770 -1.310 8.382 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -34.752 -2.761 9.390 1.00 0.00 H new ATOM 329 N ALA A 25 -34.566 3.273 13.328 1.00 0.00 N ATOM 330 CA ALA A 25 -33.858 4.399 13.913 1.00 0.00 C ATOM 331 C ALA A 25 -32.720 3.879 14.793 1.00 0.00 C ATOM 332 O ALA A 25 -31.772 4.608 15.083 1.00 0.00 O ATOM 333 CB ALA A 25 -34.843 5.274 14.691 1.00 0.00 C ATOM 0 H ALA A 25 -35.553 3.213 13.579 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.415 5.020 13.134 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.312 6.118 15.130 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.615 5.642 14.015 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.305 4.685 15.483 1.00 0.00 H new ATOM 339 N ARG A 26 -32.850 2.623 15.193 1.00 0.00 N ATOM 340 CA ARG A 26 -31.845 1.997 16.034 1.00 0.00 C ATOM 341 C ARG A 26 -30.577 1.715 15.225 1.00 0.00 C ATOM 342 O ARG A 26 -29.473 1.740 15.766 1.00 0.00 O ATOM 343 CB ARG A 26 -32.363 0.686 16.630 1.00 0.00 C ATOM 344 CG ARG A 26 -32.164 0.656 18.146 1.00 0.00 C ATOM 345 CD ARG A 26 -33.327 -0.057 18.838 1.00 0.00 C ATOM 346 NE ARG A 26 -33.637 0.609 20.123 1.00 0.00 N ATOM 347 CZ ARG A 26 -32.798 0.639 21.181 1.00 0.00 C ATOM 348 NH1 ARG A 26 -31.590 0.040 21.116 1.00 0.00 N ATOM 349 NH2 ARG A 26 -33.178 1.263 22.281 1.00 0.00 N ATOM 0 H ARG A 26 -33.637 2.021 14.950 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.617 2.687 16.846 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.421 0.569 16.396 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -31.841 -0.156 16.175 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.229 0.149 18.384 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -32.080 1.674 18.525 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -34.206 -0.048 18.193 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -33.071 -1.102 19.013 1.00 0.00 H new ATOM 0 HE ARG A 26 -34.540 1.074 20.215 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -31.304 -0.440 20.263 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -30.963 0.068 21.920 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -34.093 1.713 22.322 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -32.557 1.295 23.089 1.00 0.00 H new ATOM 362 N ALA A 27 -30.778 1.454 13.942 1.00 0.00 N ATOM 363 CA ALA A 27 -29.665 1.167 13.053 1.00 0.00 C ATOM 364 C ALA A 27 -28.853 2.446 12.832 1.00 0.00 C ATOM 365 O ALA A 27 -27.642 2.388 12.628 1.00 0.00 O ATOM 366 CB ALA A 27 -30.195 0.579 11.744 1.00 0.00 C ATOM 0 H ALA A 27 -31.695 1.435 13.496 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.000 0.426 13.497 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.360 0.364 11.077 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.739 -0.342 11.953 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.864 1.296 11.268 1.00 0.00 H new ATOM 372 N ARG A 28 -29.554 3.569 12.879 1.00 0.00 N ATOM 373 CA ARG A 28 -28.914 4.859 12.686 1.00 0.00 C ATOM 374 C ARG A 28 -27.872 5.103 13.779 1.00 0.00 C ATOM 375 O ARG A 28 -26.868 5.774 13.546 1.00 0.00 O ATOM 376 CB ARG A 28 -29.941 5.992 12.707 1.00 0.00 C ATOM 377 CG ARG A 28 -29.623 7.041 11.640 1.00 0.00 C ATOM 378 CD ARG A 28 -30.199 8.406 12.023 1.00 0.00 C ATOM 379 NE ARG A 28 -30.326 9.258 10.819 1.00 0.00 N ATOM 380 CZ ARG A 28 -30.427 10.604 10.852 1.00 0.00 C ATOM 381 NH1 ARG A 28 -30.415 11.264 12.029 1.00 0.00 N ATOM 382 NH2 ARG A 28 -30.537 11.265 9.714 1.00 0.00 N ATOM 0 H ARG A 28 -30.559 3.612 13.048 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.426 4.845 11.711 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.938 5.586 12.537 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.951 6.461 13.691 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -28.543 7.121 11.514 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -30.034 6.725 10.681 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -31.174 8.279 12.493 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -29.552 8.890 12.755 1.00 0.00 H new ATOM 0 HE ARG A 28 -30.338 8.800 9.908 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -30.329 10.746 12.903 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -30.492 12.281 12.044 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -30.545 10.758 8.829 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -30.614 12.282 9.720 1.00 0.00 H new ATOM 395 N GLU A 29 -28.147 4.546 14.949 1.00 0.00 N ATOM 396 CA GLU A 29 -27.246 4.695 16.079 1.00 0.00 C ATOM 397 C GLU A 29 -26.088 3.701 15.969 1.00 0.00 C ATOM 398 O GLU A 29 -25.010 3.936 16.514 1.00 0.00 O ATOM 399 CB GLU A 29 -27.993 4.521 17.403 1.00 0.00 C ATOM 400 CG GLU A 29 -28.970 5.675 17.637 1.00 0.00 C ATOM 401 CD GLU A 29 -29.169 5.931 19.132 1.00 0.00 C ATOM 402 OE1 GLU A 29 -30.292 5.794 19.640 1.00 0.00 O ATOM 403 OE2 GLU A 29 -28.105 6.282 19.771 1.00 0.00 O ATOM 0 H GLU A 29 -28.981 3.991 15.139 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.836 5.705 16.061 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -28.536 3.576 17.397 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.278 4.473 18.224 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -28.593 6.578 17.157 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -29.929 5.444 17.173 1.00 0.00 H new ATOM 411 N ARG A 30 -26.349 2.612 15.261 1.00 0.00 N ATOM 412 CA ARG A 30 -25.342 1.582 15.073 1.00 0.00 C ATOM 413 C ARG A 30 -24.521 1.867 13.813 1.00 0.00 C ATOM 414 O ARG A 30 -23.353 1.490 13.731 1.00 0.00 O ATOM 415 CB ARG A 30 -25.984 0.199 14.952 1.00 0.00 C ATOM 416 CG ARG A 30 -25.999 -0.518 16.304 1.00 0.00 C ATOM 417 CD ARG A 30 -26.276 -2.013 16.128 1.00 0.00 C ATOM 418 NE ARG A 30 -27.367 -2.435 17.035 1.00 0.00 N ATOM 419 CZ ARG A 30 -27.194 -2.726 18.342 1.00 0.00 C ATOM 420 NH1 ARG A 30 -25.971 -2.643 18.907 1.00 0.00 N ATOM 421 NH2 ARG A 30 -28.240 -3.093 19.060 1.00 0.00 N ATOM 0 H ARG A 30 -27.244 2.421 14.810 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.690 1.592 15.947 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.003 0.298 14.578 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.434 -0.399 14.225 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.041 -0.378 16.805 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -26.761 -0.076 16.946 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -26.550 -2.221 15.094 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -25.373 -2.586 16.340 1.00 0.00 H new ATOM 0 HE ARG A 30 -28.308 -2.511 16.649 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -25.168 -2.359 18.346 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -25.850 -2.865 19.895 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -29.161 -3.153 18.626 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -28.127 -3.316 20.049 1.00 0.00 H new ATOM 434 N GLU A 31 -25.164 2.530 12.863 1.00 0.00 N ATOM 435 CA GLU A 31 -24.508 2.869 11.612 1.00 0.00 C ATOM 436 C GLU A 31 -23.250 3.698 11.880 1.00 0.00 C ATOM 437 O GLU A 31 -22.311 3.682 11.086 1.00 0.00 O ATOM 438 CB GLU A 31 -25.464 3.610 10.675 1.00 0.00 C ATOM 439 CG GLU A 31 -26.244 2.628 9.799 1.00 0.00 C ATOM 440 CD GLU A 31 -26.165 3.028 8.324 1.00 0.00 C ATOM 441 OE1 GLU A 31 -26.997 3.816 7.850 1.00 0.00 O ATOM 442 OE2 GLU A 31 -25.197 2.489 7.664 1.00 0.00 O ATOM 0 H GLU A 31 -26.133 2.841 12.935 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.211 1.944 11.117 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.159 4.212 11.260 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -24.901 4.297 10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -25.844 1.622 9.929 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -27.286 2.600 10.117 1.00 0.00 H new ATOM 450 N ARG A 32 -23.273 4.403 13.002 1.00 0.00 N ATOM 451 CA ARG A 32 -22.146 5.236 13.384 1.00 0.00 C ATOM 452 C ARG A 32 -20.881 4.387 13.527 1.00 0.00 C ATOM 453 O ARG A 32 -19.774 4.871 13.297 1.00 0.00 O ATOM 454 CB ARG A 32 -22.418 5.958 14.706 1.00 0.00 C ATOM 455 CG ARG A 32 -21.724 7.321 14.739 1.00 0.00 C ATOM 456 CD ARG A 32 -22.575 8.388 14.047 1.00 0.00 C ATOM 457 NE ARG A 32 -22.120 9.738 14.449 1.00 0.00 N ATOM 458 CZ ARG A 32 -22.537 10.375 15.564 1.00 0.00 C ATOM 459 NH1 ARG A 32 -23.423 9.790 16.398 1.00 0.00 N ATOM 460 NH2 ARG A 32 -22.065 11.580 15.826 1.00 0.00 N ATOM 0 H ARG A 32 -24.054 4.414 13.658 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.003 5.979 12.599 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.492 6.089 14.838 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.067 5.347 15.537 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.538 7.613 15.773 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -20.753 7.251 14.248 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -22.502 8.278 12.965 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -23.624 8.255 14.311 1.00 0.00 H new ATOM 0 HE ARG A 32 -21.450 10.216 13.847 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -23.783 8.859 16.188 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -23.732 10.279 17.238 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.396 12.015 15.190 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.369 12.076 16.664 1.00 0.00 H new ATOM 473 N LEU A 33 -21.088 3.134 13.906 1.00 0.00 N ATOM 474 CA LEU A 33 -19.979 2.213 14.082 1.00 0.00 C ATOM 475 C LEU A 33 -19.705 1.492 12.760 1.00 0.00 C ATOM 476 O LEU A 33 -18.663 0.859 12.598 1.00 0.00 O ATOM 477 CB LEU A 33 -20.248 1.267 15.254 1.00 0.00 C ATOM 478 CG LEU A 33 -19.164 1.208 16.332 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.695 0.551 17.608 1.00 0.00 C ATOM 480 CD2 LEU A 33 -17.907 0.511 15.808 1.00 0.00 C ATOM 0 H LEU A 33 -22.008 2.736 14.096 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.071 2.757 14.343 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.185 1.562 15.725 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.393 0.262 14.858 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.882 2.229 16.589 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.905 0.522 18.358 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.537 1.127 17.991 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.022 -0.465 17.385 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.152 0.483 16.594 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -18.154 -0.507 15.506 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -17.517 1.060 14.951 1.00 0.00 H new ATOM 492 N ALA A 34 -20.660 1.612 11.849 1.00 0.00 N ATOM 493 CA ALA A 34 -20.535 0.980 10.547 1.00 0.00 C ATOM 494 C ALA A 34 -19.682 1.865 9.635 1.00 0.00 C ATOM 495 O ALA A 34 -19.516 1.567 8.453 1.00 0.00 O ATOM 496 CB ALA A 34 -21.927 0.720 9.970 1.00 0.00 C ATOM 0 H ALA A 34 -21.523 2.137 11.987 1.00 0.00 H new ATOM 0 HA ALA A 34 -20.033 0.016 10.635 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.833 0.246 8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.482 0.063 10.640 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.460 1.665 9.865 1.00 0.00 H new ATOM 502 N HIS A 35 -19.164 2.936 10.219 1.00 0.00 N ATOM 503 CA HIS A 35 -18.332 3.866 9.474 1.00 0.00 C ATOM 504 C HIS A 35 -16.866 3.440 9.578 1.00 0.00 C ATOM 505 O HIS A 35 -16.016 3.947 8.848 1.00 0.00 O ATOM 506 CB HIS A 35 -18.568 5.302 9.945 1.00 0.00 C ATOM 507 CG HIS A 35 -18.635 6.312 8.825 1.00 0.00 C ATOM 508 ND1 HIS A 35 -18.662 7.678 9.048 1.00 0.00 N ATOM 509 CD2 HIS A 35 -18.680 6.142 7.472 1.00 0.00 C ATOM 510 CE1 HIS A 35 -18.722 8.292 7.875 1.00 0.00 C ATOM 511 NE2 HIS A 35 -18.733 7.338 6.900 1.00 0.00 N ATOM 0 H HIS A 35 -19.304 3.180 11.199 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.607 3.842 8.419 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.499 5.340 10.511 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -17.768 5.585 10.629 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -18.674 5.194 6.954 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -18.756 9.360 7.719 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -18.775 7.515 5.896 1.00 0.00 H new ATOM 519 N SER A 36 -16.616 2.514 10.491 1.00 0.00 N ATOM 520 CA SER A 36 -15.267 2.014 10.700 1.00 0.00 C ATOM 521 C SER A 36 -15.011 0.807 9.796 1.00 0.00 C ATOM 522 O SER A 36 -13.861 0.457 9.534 1.00 0.00 O ATOM 523 CB SER A 36 -15.040 1.639 12.166 1.00 0.00 C ATOM 524 OG SER A 36 -15.216 2.753 13.036 1.00 0.00 O ATOM 0 H SER A 36 -17.324 2.096 11.095 1.00 0.00 H new ATOM 0 HA SER A 36 -14.564 2.807 10.444 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.732 0.846 12.448 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.033 1.241 12.286 1.00 0.00 H new ATOM 0 HG SER A 36 -15.064 2.472 13.962 1.00 0.00 H new ATOM 530 N ARG A 37 -16.101 0.203 9.346 1.00 0.00 N ATOM 531 CA ARG A 37 -16.008 -0.958 8.477 1.00 0.00 C ATOM 532 C ARG A 37 -15.975 -0.523 7.011 1.00 0.00 C ATOM 533 O ARG A 37 -16.119 -1.349 6.111 1.00 0.00 O ATOM 534 CB ARG A 37 -17.190 -1.905 8.695 1.00 0.00 C ATOM 535 CG ARG A 37 -16.728 -3.364 8.713 1.00 0.00 C ATOM 536 CD ARG A 37 -17.313 -4.138 7.530 1.00 0.00 C ATOM 537 NE ARG A 37 -17.562 -5.544 7.919 1.00 0.00 N ATOM 538 CZ ARG A 37 -18.410 -6.370 7.269 1.00 0.00 C ATOM 539 NH1 ARG A 37 -19.098 -5.936 6.191 1.00 0.00 N ATOM 540 NH2 ARG A 37 -18.556 -7.608 7.704 1.00 0.00 N ATOM 0 H ARG A 37 -17.053 0.496 9.567 1.00 0.00 H new ATOM 0 HA ARG A 37 -15.086 -1.484 8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.684 -1.665 9.636 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.926 -1.762 7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.639 -3.405 8.677 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -17.034 -3.835 9.647 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -18.243 -3.672 7.204 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.625 -4.102 6.685 1.00 0.00 H new ATOM 0 HE ARG A 37 -17.062 -5.912 8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -18.979 -4.978 5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -19.736 -6.566 5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.032 -7.927 8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -19.192 -8.245 7.225 1.00 0.00 H new ATOM 553 N ALA A 38 -15.786 0.774 6.816 1.00 0.00 N ATOM 554 CA ALA A 38 -15.733 1.329 5.474 1.00 0.00 C ATOM 555 C ALA A 38 -14.522 0.754 4.737 1.00 0.00 C ATOM 556 O ALA A 38 -14.671 0.095 3.710 1.00 0.00 O ATOM 557 CB ALA A 38 -15.697 2.856 5.554 1.00 0.00 C ATOM 0 H ALA A 38 -15.668 1.456 7.565 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.624 1.054 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.657 3.272 4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.593 3.215 6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.815 3.170 6.112 1.00 0.00 H new ATOM 563 N ALA A 39 -13.349 1.027 5.290 1.00 0.00 N ATOM 564 CA ALA A 39 -12.113 0.545 4.698 1.00 0.00 C ATOM 565 C ALA A 39 -11.883 -0.908 5.117 1.00 0.00 C ATOM 566 O ALA A 39 -10.945 -1.204 5.856 1.00 0.00 O ATOM 567 CB ALA A 39 -10.958 1.461 5.111 1.00 0.00 C ATOM 0 H ALA A 39 -13.229 1.576 6.141 1.00 0.00 H new ATOM 0 HA ALA A 39 -12.175 0.568 3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.030 1.100 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.156 2.475 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.864 1.461 6.197 1.00 0.00 H new ATOM 573 N ALA A 40 -12.756 -1.777 4.627 1.00 0.00 N ATOM 574 CA ALA A 40 -12.660 -3.192 4.942 1.00 0.00 C ATOM 575 C ALA A 40 -11.734 -3.873 3.933 1.00 0.00 C ATOM 576 O ALA A 40 -10.694 -4.415 4.305 1.00 0.00 O ATOM 577 CB ALA A 40 -14.060 -3.808 4.957 1.00 0.00 C ATOM 0 H ALA A 40 -13.533 -1.528 4.014 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.230 -3.336 5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.988 -4.870 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.669 -3.309 5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.522 -3.685 3.978 1.00 0.00 H new ATOM 583 N ALA A 41 -12.145 -3.823 2.674 1.00 0.00 N ATOM 584 CA ALA A 41 -11.365 -4.429 1.608 1.00 0.00 C ATOM 585 C ALA A 41 -11.410 -5.952 1.751 1.00 0.00 C ATOM 586 O ALA A 41 -10.373 -6.595 1.907 1.00 0.00 O ATOM 587 CB ALA A 41 -9.937 -3.881 1.645 1.00 0.00 C ATOM 0 H ALA A 41 -13.008 -3.372 2.368 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.785 -4.177 0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.352 -4.336 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.959 -2.800 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.482 -4.117 2.607 1.00 0.00 H new ATOM 593 N ALA A 42 -12.622 -6.484 1.692 1.00 0.00 N ATOM 594 CA ALA A 42 -12.815 -7.919 1.814 1.00 0.00 C ATOM 595 C ALA A 42 -13.080 -8.512 0.428 1.00 0.00 C ATOM 596 O ALA A 42 -12.192 -9.113 -0.174 1.00 0.00 O ATOM 597 CB ALA A 42 -13.954 -8.200 2.796 1.00 0.00 C ATOM 0 H ALA A 42 -13.480 -5.947 1.561 1.00 0.00 H new ATOM 0 HA ALA A 42 -11.918 -8.395 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.098 -9.277 2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.704 -7.783 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.872 -7.741 2.430 1.00 0.00 H new ATOM 603 N ALA A 43 -14.307 -8.323 -0.036 1.00 0.00 N ATOM 604 CA ALA A 43 -14.700 -8.832 -1.339 1.00 0.00 C ATOM 605 C ALA A 43 -13.664 -8.409 -2.381 1.00 0.00 C ATOM 606 O ALA A 43 -13.545 -9.034 -3.434 1.00 0.00 O ATOM 607 CB ALA A 43 -16.106 -8.334 -1.678 1.00 0.00 C ATOM 0 H ALA A 43 -15.041 -7.825 0.467 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.733 -9.921 -1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -16.401 -8.716 -2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -16.809 -8.687 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -16.111 -7.244 -1.697 1.00 0.00 H new ATOM 613 N VAL A 44 -12.940 -7.349 -2.052 1.00 0.00 N ATOM 614 CA VAL A 44 -11.917 -6.835 -2.947 1.00 0.00 C ATOM 615 C VAL A 44 -10.572 -7.476 -2.599 1.00 0.00 C ATOM 616 O VAL A 44 -9.728 -7.669 -3.473 1.00 0.00 O ATOM 617 CB VAL A 44 -11.885 -5.307 -2.882 1.00 0.00 C ATOM 618 CG1 VAL A 44 -10.446 -4.790 -2.828 1.00 0.00 C ATOM 619 CG2 VAL A 44 -12.645 -4.692 -4.060 1.00 0.00 C ATOM 0 H VAL A 44 -13.042 -6.832 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.145 -7.099 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.385 -5.000 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.452 -3.701 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.950 -5.188 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.910 -5.113 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.607 -3.605 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.186 -5.012 -4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.684 -5.021 -4.034 1.00 0.00 H new ATOM 629 N ALA A 45 -10.414 -7.788 -1.321 1.00 0.00 N ATOM 630 CA ALA A 45 -9.186 -8.403 -0.848 1.00 0.00 C ATOM 631 C ALA A 45 -8.803 -9.553 -1.782 1.00 0.00 C ATOM 632 O ALA A 45 -7.745 -9.521 -2.409 1.00 0.00 O ATOM 633 CB ALA A 45 -9.371 -8.865 0.599 1.00 0.00 C ATOM 0 H ALA A 45 -11.116 -7.626 -0.599 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.368 -7.683 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.450 -9.327 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.613 -8.007 1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.183 -9.591 0.648 1.00 0.00 H new ATOM 639 N ALA A 46 -9.684 -10.540 -1.845 1.00 0.00 N ATOM 640 CA ALA A 46 -9.451 -11.698 -2.692 1.00 0.00 C ATOM 641 C ALA A 46 -9.226 -11.233 -4.132 1.00 0.00 C ATOM 642 O ALA A 46 -8.193 -11.531 -4.730 1.00 0.00 O ATOM 643 CB ALA A 46 -10.630 -12.666 -2.570 1.00 0.00 C ATOM 0 H ALA A 46 -10.560 -10.562 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.556 -12.233 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.455 -13.534 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.730 -12.989 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.546 -12.165 -2.884 1.00 0.00 H new ATOM 649 N ALA A 47 -10.209 -10.510 -4.648 1.00 0.00 N ATOM 650 CA ALA A 47 -10.131 -10.001 -6.007 1.00 0.00 C ATOM 651 C ALA A 47 -8.931 -9.060 -6.126 1.00 0.00 C ATOM 652 O ALA A 47 -8.116 -8.968 -5.209 1.00 0.00 O ATOM 653 CB ALA A 47 -11.449 -9.315 -6.371 1.00 0.00 C ATOM 0 H ALA A 47 -11.064 -10.264 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.982 -10.816 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.391 -8.933 -7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.265 -10.034 -6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.631 -8.489 -5.684 1.00 0.00 H new ATOM 659 N THR A 48 -8.860 -8.386 -7.264 1.00 0.00 N ATOM 660 CA THR A 48 -7.772 -7.455 -7.515 1.00 0.00 C ATOM 661 C THR A 48 -6.429 -8.187 -7.497 1.00 0.00 C ATOM 662 O THR A 48 -5.735 -8.193 -6.481 1.00 0.00 O ATOM 663 CB THR A 48 -7.865 -6.330 -6.483 1.00 0.00 C ATOM 664 OG1 THR A 48 -9.005 -5.578 -6.891 1.00 0.00 O ATOM 665 CG2 THR A 48 -6.706 -5.337 -6.593 1.00 0.00 C ATOM 0 H THR A 48 -9.537 -8.465 -8.022 1.00 0.00 H new ATOM 0 HA THR A 48 -7.851 -7.012 -8.508 1.00 0.00 H new ATOM 0 HB THR A 48 -7.883 -6.758 -5.481 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.140 -4.828 -6.275 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.820 -4.559 -5.838 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.763 -5.860 -6.435 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.708 -4.884 -7.584 1.00 0.00 H new ATOM 673 N ALA A 49 -6.102 -8.786 -8.633 1.00 0.00 N ATOM 674 CA ALA A 49 -4.854 -9.520 -8.760 1.00 0.00 C ATOM 675 C ALA A 49 -3.707 -8.664 -8.218 1.00 0.00 C ATOM 676 O ALA A 49 -3.625 -7.472 -8.513 1.00 0.00 O ATOM 677 CB ALA A 49 -4.643 -9.919 -10.221 1.00 0.00 C ATOM 0 H ALA A 49 -6.680 -8.778 -9.474 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.887 -10.438 -8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.707 -10.469 -10.316 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.470 -10.549 -10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.602 -9.023 -10.841 1.00 0.00 H new ATOM 683 N ALA A 50 -2.851 -9.305 -7.436 1.00 0.00 N ATOM 684 CA ALA A 50 -1.713 -8.617 -6.851 1.00 0.00 C ATOM 685 C ALA A 50 -0.558 -8.606 -7.855 1.00 0.00 C ATOM 686 O ALA A 50 0.568 -8.966 -7.514 1.00 0.00 O ATOM 687 CB ALA A 50 -1.332 -9.291 -5.531 1.00 0.00 C ATOM 0 H ALA A 50 -2.923 -10.293 -7.194 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.965 -7.580 -6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.478 -8.775 -5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.176 -9.246 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.070 -10.333 -5.717 1.00 0.00 H new ATOM 693 N VAL A 51 -0.877 -8.190 -9.071 1.00 0.00 N ATOM 694 CA VAL A 51 0.120 -8.128 -10.127 1.00 0.00 C ATOM 695 C VAL A 51 -0.265 -7.032 -11.122 1.00 0.00 C ATOM 696 O VAL A 51 -0.542 -7.316 -12.287 1.00 0.00 O ATOM 697 CB VAL A 51 0.276 -9.503 -10.781 1.00 0.00 C ATOM 698 CG1 VAL A 51 1.324 -9.464 -11.895 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.622 -10.569 -9.740 1.00 0.00 C ATOM 0 H VAL A 51 -1.812 -7.892 -9.349 1.00 0.00 H new ATOM 0 HA VAL A 51 1.095 -7.866 -9.717 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.680 -9.771 -11.230 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.416 -10.453 -12.343 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.018 -8.747 -12.657 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.286 -9.164 -11.479 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.727 -11.536 -10.231 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.559 -10.307 -9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.174 -10.624 -8.997 1.00 0.00 H new ATOM 709 N GLU A 52 -0.270 -5.803 -10.628 1.00 0.00 N ATOM 710 CA GLU A 52 -0.616 -4.663 -11.460 1.00 0.00 C ATOM 711 C GLU A 52 0.264 -4.633 -12.711 1.00 0.00 C ATOM 712 O GLU A 52 1.250 -5.363 -12.799 1.00 0.00 O ATOM 713 CB GLU A 52 -0.498 -3.355 -10.675 1.00 0.00 C ATOM 714 CG GLU A 52 -1.570 -2.355 -11.111 1.00 0.00 C ATOM 715 CD GLU A 52 -2.054 -1.518 -9.925 1.00 0.00 C ATOM 716 OE1 GLU A 52 -1.231 -0.964 -9.181 1.00 0.00 O ATOM 717 OE2 GLU A 52 -3.335 -1.451 -9.792 1.00 0.00 O ATOM 0 H GLU A 52 -0.040 -5.571 -9.662 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.655 -4.768 -11.773 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.596 -3.557 -9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.491 -2.923 -10.828 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.168 -1.699 -11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.412 -2.888 -11.552 1.00 0.00 H new ATOM 725 N GLY A 53 -0.125 -3.780 -13.648 1.00 0.00 N ATOM 726 CA GLY A 53 0.616 -3.645 -14.891 1.00 0.00 C ATOM 727 C GLY A 53 0.364 -2.280 -15.534 1.00 0.00 C ATOM 728 O GLY A 53 -0.394 -2.174 -16.497 1.00 0.00 O ATOM 0 H GLY A 53 -0.943 -3.176 -13.571 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.682 -3.769 -14.699 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.322 -4.436 -15.581 1.00 0.00 H new ATOM 732 N THR A 54 1.013 -1.269 -14.975 1.00 0.00 N ATOM 733 CA THR A 54 0.868 0.085 -15.481 1.00 0.00 C ATOM 734 C THR A 54 2.003 0.415 -16.453 1.00 0.00 C ATOM 735 O THR A 54 2.899 -0.400 -16.666 1.00 0.00 O ATOM 736 CB THR A 54 0.799 1.034 -14.283 1.00 0.00 C ATOM 737 OG1 THR A 54 2.147 1.119 -13.829 1.00 0.00 O ATOM 738 CG2 THR A 54 0.045 0.427 -13.098 1.00 0.00 C ATOM 0 H THR A 54 1.641 -1.361 -14.176 1.00 0.00 H new ATOM 0 HA THR A 54 -0.052 0.196 -16.054 1.00 0.00 H new ATOM 0 HB THR A 54 0.315 1.963 -14.584 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.194 1.717 -13.054 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.025 1.141 -12.275 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.976 0.191 -13.399 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.548 -0.485 -12.775 1.00 0.00 H new ATOM 746 N GLY A 55 1.927 1.612 -17.017 1.00 0.00 N ATOM 747 CA GLY A 55 2.936 2.059 -17.961 1.00 0.00 C ATOM 748 C GLY A 55 3.462 3.446 -17.586 1.00 0.00 C ATOM 749 O GLY A 55 2.696 4.407 -17.519 1.00 0.00 O ATOM 0 H GLY A 55 1.182 2.285 -16.838 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.761 1.347 -17.981 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.513 2.086 -18.965 1.00 0.00 H new ATOM 753 N GLY A 56 4.764 3.507 -17.350 1.00 0.00 N ATOM 754 CA GLY A 56 5.400 4.761 -16.983 1.00 0.00 C ATOM 755 C GLY A 56 6.440 5.174 -18.027 1.00 0.00 C ATOM 756 O GLY A 56 6.428 4.676 -19.151 1.00 0.00 O ATOM 0 H GLY A 56 5.396 2.708 -17.406 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.645 5.542 -16.888 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.878 4.659 -16.009 1.00 0.00 H new ATOM 760 N SER A 57 7.315 6.081 -17.617 1.00 0.00 N ATOM 761 CA SER A 57 8.360 6.567 -18.502 1.00 0.00 C ATOM 762 C SER A 57 9.174 5.391 -19.045 1.00 0.00 C ATOM 763 O SER A 57 9.294 4.358 -18.387 1.00 0.00 O ATOM 764 CB SER A 57 9.274 7.559 -17.782 1.00 0.00 C ATOM 765 OG SER A 57 9.112 8.888 -18.272 1.00 0.00 O ATOM 0 H SER A 57 7.322 6.492 -16.683 1.00 0.00 H new ATOM 0 HA SER A 57 7.888 7.089 -19.335 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.061 7.538 -16.713 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.312 7.251 -17.906 1.00 0.00 H new ATOM 0 HG SER A 57 9.712 9.491 -17.786 1.00 0.00 H new ATOM 771 N GLY A 58 9.713 5.587 -20.239 1.00 0.00 N ATOM 772 CA GLY A 58 10.513 4.556 -20.878 1.00 0.00 C ATOM 773 C GLY A 58 11.839 5.126 -21.385 1.00 0.00 C ATOM 774 O GLY A 58 12.248 6.213 -20.979 1.00 0.00 O ATOM 0 H GLY A 58 9.611 6.445 -20.781 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.707 3.750 -20.170 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.957 4.123 -21.710 1.00 0.00 H new ATOM 778 N GLY A 59 12.475 4.367 -22.266 1.00 0.00 N ATOM 779 CA GLY A 59 13.746 4.784 -22.834 1.00 0.00 C ATOM 780 C GLY A 59 13.582 6.050 -23.676 1.00 0.00 C ATOM 781 O GLY A 59 12.468 6.407 -24.056 1.00 0.00 O ATOM 0 H GLY A 59 12.134 3.466 -22.600 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.464 4.966 -22.034 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.153 3.983 -23.451 1.00 0.00 H new ATOM 785 N GLY A 60 14.708 6.695 -23.942 1.00 0.00 N ATOM 786 CA GLY A 60 14.704 7.915 -24.732 1.00 0.00 C ATOM 787 C GLY A 60 15.673 7.808 -25.911 1.00 0.00 C ATOM 788 O GLY A 60 15.913 6.717 -26.425 1.00 0.00 O ATOM 0 H GLY A 60 15.630 6.396 -23.624 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.697 8.110 -25.101 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.983 8.761 -24.103 1.00 0.00 H new ATOM 792 N PRO A 61 16.218 8.987 -26.316 1.00 0.00 N ATOM 793 CA PRO A 61 17.156 9.036 -27.424 1.00 0.00 C ATOM 794 C PRO A 61 18.528 8.506 -27.005 1.00 0.00 C ATOM 795 O PRO A 61 18.731 8.145 -25.847 1.00 0.00 O ATOM 796 CB PRO A 61 17.187 10.495 -27.849 1.00 0.00 C ATOM 797 CG PRO A 61 16.628 11.283 -26.675 1.00 0.00 C ATOM 798 CD PRO A 61 15.956 10.299 -25.731 1.00 0.00 C ATOM 0 HA PRO A 61 16.857 8.399 -28.256 1.00 0.00 H new ATOM 0 HB2 PRO A 61 18.203 10.812 -28.084 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.588 10.653 -28.746 1.00 0.00 H new ATOM 0 HG2 PRO A 61 17.425 11.821 -26.162 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.913 12.029 -27.022 1.00 0.00 H new ATOM 0 HD2 PRO A 61 16.367 10.373 -24.724 1.00 0.00 H new ATOM 0 HD3 PRO A 61 14.886 10.492 -25.654 1.00 0.00 H new ATOM 806 N HIS A 62 19.435 8.475 -27.971 1.00 0.00 N ATOM 807 CA HIS A 62 20.783 7.995 -27.717 1.00 0.00 C ATOM 808 C HIS A 62 21.797 8.981 -28.298 1.00 0.00 C ATOM 809 O HIS A 62 21.604 9.502 -29.395 1.00 0.00 O ATOM 810 CB HIS A 62 20.963 6.573 -28.253 1.00 0.00 C ATOM 811 CG HIS A 62 21.035 6.490 -29.759 1.00 0.00 C ATOM 812 ND1 HIS A 62 22.000 5.753 -30.424 1.00 0.00 N ATOM 813 CD2 HIS A 62 20.252 7.057 -30.722 1.00 0.00 C ATOM 814 CE1 HIS A 62 21.798 5.880 -31.728 1.00 0.00 C ATOM 815 NE2 HIS A 62 20.715 6.688 -31.910 1.00 0.00 N ATOM 0 H HIS A 62 19.263 8.774 -28.931 1.00 0.00 H new ATOM 0 HA HIS A 62 20.957 7.940 -26.642 1.00 0.00 H new ATOM 0 HB2 HIS A 62 21.875 6.149 -27.832 1.00 0.00 H new ATOM 0 HB3 HIS A 62 20.134 5.956 -27.904 1.00 0.00 H new ATOM 0 HD2 HIS A 62 19.400 7.697 -30.547 1.00 0.00 H new ATOM 0 HE1 HIS A 62 22.388 5.424 -32.509 1.00 0.00 H new ATOM 0 HE2 HIS A 62 20.325 6.964 -32.811 1.00 0.00 H new ATOM 823 N HIS A 63 22.857 9.209 -27.536 1.00 0.00 N ATOM 824 CA HIS A 63 23.902 10.124 -27.961 1.00 0.00 C ATOM 825 C HIS A 63 24.161 9.946 -29.459 1.00 0.00 C ATOM 826 O HIS A 63 23.958 8.862 -30.003 1.00 0.00 O ATOM 827 CB HIS A 63 25.164 9.939 -27.116 1.00 0.00 C ATOM 828 CG HIS A 63 26.244 9.130 -27.792 1.00 0.00 C ATOM 829 ND1 HIS A 63 27.566 9.535 -27.840 1.00 0.00 N ATOM 830 CD2 HIS A 63 26.184 7.935 -28.448 1.00 0.00 C ATOM 831 CE1 HIS A 63 28.262 8.618 -28.497 1.00 0.00 C ATOM 832 NE2 HIS A 63 27.403 7.628 -28.873 1.00 0.00 N ATOM 0 H HIS A 63 23.014 8.775 -26.626 1.00 0.00 H new ATOM 0 HA HIS A 63 23.576 11.152 -27.802 1.00 0.00 H new ATOM 0 HB2 HIS A 63 25.565 10.920 -26.861 1.00 0.00 H new ATOM 0 HB3 HIS A 63 24.893 9.453 -26.179 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.295 7.340 -28.596 1.00 0.00 H new ATOM 0 HE1 HIS A 63 29.322 8.649 -28.699 1.00 0.00 H new ATOM 0 HE2 HIS A 63 27.656 6.789 -29.395 1.00 0.00 H new ATOM 840 N HIS A 64 24.607 11.027 -30.082 1.00 0.00 N ATOM 841 CA HIS A 64 24.896 11.005 -31.506 1.00 0.00 C ATOM 842 C HIS A 64 25.760 12.213 -31.873 1.00 0.00 C ATOM 843 O HIS A 64 25.421 13.347 -31.541 1.00 0.00 O ATOM 844 CB HIS A 64 23.603 10.931 -32.321 1.00 0.00 C ATOM 845 CG HIS A 64 23.819 10.938 -33.816 1.00 0.00 C ATOM 846 ND1 HIS A 64 22.852 11.361 -34.711 1.00 0.00 N ATOM 847 CD2 HIS A 64 24.900 10.572 -34.562 1.00 0.00 C ATOM 848 CE1 HIS A 64 23.339 11.249 -35.938 1.00 0.00 C ATOM 849 NE2 HIS A 64 24.609 10.759 -35.843 1.00 0.00 N ATOM 0 H HIS A 64 24.775 11.924 -29.627 1.00 0.00 H new ATOM 0 HA HIS A 64 25.464 10.108 -31.752 1.00 0.00 H new ATOM 0 HB2 HIS A 64 23.064 10.025 -32.046 1.00 0.00 H new ATOM 0 HB3 HIS A 64 22.967 11.774 -32.052 1.00 0.00 H new ATOM 0 HD2 HIS A 64 25.835 10.194 -34.176 1.00 0.00 H new ATOM 0 HE1 HIS A 64 22.822 11.501 -36.852 1.00 0.00 H new ATOM 0 HE2 HIS A 64 25.232 10.568 -36.628 1.00 0.00 H new ATOM 857 N HIS A 65 26.860 11.927 -32.554 1.00 0.00 N ATOM 858 CA HIS A 65 27.776 12.976 -32.970 1.00 0.00 C ATOM 859 C HIS A 65 29.138 12.365 -33.306 1.00 0.00 C ATOM 860 O HIS A 65 29.407 11.214 -32.966 1.00 0.00 O ATOM 861 CB HIS A 65 27.864 14.073 -31.908 1.00 0.00 C ATOM 862 CG HIS A 65 27.055 15.306 -32.229 1.00 0.00 C ATOM 863 ND1 HIS A 65 27.318 16.112 -33.323 1.00 0.00 N ATOM 864 CD2 HIS A 65 25.985 15.862 -31.590 1.00 0.00 C ATOM 865 CE1 HIS A 65 26.441 17.105 -33.332 1.00 0.00 C ATOM 866 NE2 HIS A 65 25.617 16.949 -32.257 1.00 0.00 N ATOM 0 H HIS A 65 27.138 10.985 -32.828 1.00 0.00 H new ATOM 0 HA HIS A 65 27.399 13.455 -33.873 1.00 0.00 H new ATOM 0 HB2 HIS A 65 27.527 13.668 -30.954 1.00 0.00 H new ATOM 0 HB3 HIS A 65 28.908 14.359 -31.782 1.00 0.00 H new ATOM 0 HD2 HIS A 65 25.517 15.482 -30.694 1.00 0.00 H new ATOM 0 HE1 HIS A 65 26.388 17.899 -34.063 1.00 0.00 H new ATOM 0 HE2 HIS A 65 24.845 17.566 -32.006 1.00 0.00 H new ATOM 874 N GLN A 66 29.961 13.162 -33.971 1.00 0.00 N ATOM 875 CA GLN A 66 31.288 12.714 -34.357 1.00 0.00 C ATOM 876 C GLN A 66 32.269 13.888 -34.343 1.00 0.00 C ATOM 877 O GLN A 66 31.870 15.033 -34.134 1.00 0.00 O ATOM 878 CB GLN A 66 31.261 12.038 -35.729 1.00 0.00 C ATOM 879 CG GLN A 66 32.474 11.124 -35.914 1.00 0.00 C ATOM 880 CD GLN A 66 32.123 9.918 -36.787 1.00 0.00 C ATOM 881 OE1 GLN A 66 31.297 9.986 -37.682 1.00 0.00 O ATOM 882 NE2 GLN A 66 32.796 8.813 -36.478 1.00 0.00 N ATOM 0 H GLN A 66 29.734 14.116 -34.252 1.00 0.00 H new ATOM 0 HA GLN A 66 31.626 11.974 -33.631 1.00 0.00 H new ATOM 0 HB2 GLN A 66 30.344 11.458 -35.834 1.00 0.00 H new ATOM 0 HB3 GLN A 66 31.250 12.796 -36.512 1.00 0.00 H new ATOM 0 HG2 GLN A 66 33.289 11.684 -36.372 1.00 0.00 H new ATOM 0 HG3 GLN A 66 32.828 10.783 -34.941 1.00 0.00 H new ATOM 0 HE21 GLN A 66 33.474 8.825 -35.716 1.00 0.00 H new ATOM 0 HE22 GLN A 66 32.634 7.954 -37.003 1.00 0.00 H new ATOM 891 N THR A 67 33.534 13.564 -34.569 1.00 0.00 N ATOM 892 CA THR A 67 34.575 14.577 -34.586 1.00 0.00 C ATOM 893 C THR A 67 34.259 15.649 -35.630 1.00 0.00 C ATOM 894 O THR A 67 33.448 15.427 -36.528 1.00 0.00 O ATOM 895 CB THR A 67 35.914 13.875 -34.821 1.00 0.00 C ATOM 896 OG1 THR A 67 35.840 12.706 -34.011 1.00 0.00 O ATOM 897 CG2 THR A 67 37.095 14.657 -34.242 1.00 0.00 C ATOM 0 H THR A 67 33.861 12.614 -34.742 1.00 0.00 H new ATOM 0 HA THR A 67 34.631 15.103 -33.633 1.00 0.00 H new ATOM 0 HB THR A 67 36.065 13.730 -35.891 1.00 0.00 H new ATOM 0 HG1 THR A 67 36.668 12.190 -34.105 1.00 0.00 H new ATOM 0 HG21 THR A 67 38.021 14.115 -34.436 1.00 0.00 H new ATOM 0 HG22 THR A 67 37.145 15.640 -34.710 1.00 0.00 H new ATOM 0 HG23 THR A 67 36.962 14.774 -33.166 1.00 0.00 H new ATOM 905 N ARG A 68 34.916 16.790 -35.477 1.00 0.00 N ATOM 906 CA ARG A 68 34.715 17.898 -36.396 1.00 0.00 C ATOM 907 C ARG A 68 35.094 17.482 -37.819 1.00 0.00 C ATOM 908 O ARG A 68 35.691 16.427 -38.023 1.00 0.00 O ATOM 909 CB ARG A 68 35.551 19.111 -35.986 1.00 0.00 C ATOM 910 CG ARG A 68 34.888 19.872 -34.837 1.00 0.00 C ATOM 911 CD ARG A 68 35.918 20.279 -33.781 1.00 0.00 C ATOM 912 NE ARG A 68 35.475 19.832 -32.442 1.00 0.00 N ATOM 913 CZ ARG A 68 34.652 20.542 -31.641 1.00 0.00 C ATOM 914 NH1 ARG A 68 34.175 21.740 -32.039 1.00 0.00 N ATOM 915 NH2 ARG A 68 34.320 20.046 -30.463 1.00 0.00 N ATOM 0 H ARG A 68 35.588 16.971 -34.731 1.00 0.00 H new ATOM 0 HA ARG A 68 33.660 18.170 -36.363 1.00 0.00 H new ATOM 0 HB2 ARG A 68 36.547 18.786 -35.684 1.00 0.00 H new ATOM 0 HB3 ARG A 68 35.678 19.775 -36.841 1.00 0.00 H new ATOM 0 HG2 ARG A 68 34.389 20.760 -35.225 1.00 0.00 H new ATOM 0 HG3 ARG A 68 34.120 19.249 -34.379 1.00 0.00 H new ATOM 0 HD2 ARG A 68 36.887 19.839 -34.018 1.00 0.00 H new ATOM 0 HD3 ARG A 68 36.049 21.361 -33.787 1.00 0.00 H new ATOM 0 HE ARG A 68 35.812 18.931 -32.103 1.00 0.00 H new ATOM 0 HH11 ARG A 68 34.436 22.115 -32.951 1.00 0.00 H new ATOM 0 HH12 ARG A 68 33.554 22.270 -31.428 1.00 0.00 H new ATOM 0 HH21 ARG A 68 34.684 19.139 -30.170 1.00 0.00 H new ATOM 0 HH22 ARG A 68 33.699 20.570 -29.846 1.00 0.00 H new ATOM 928 N GLY A 69 34.732 18.335 -38.766 1.00 0.00 N ATOM 929 CA GLY A 69 35.027 18.070 -40.164 1.00 0.00 C ATOM 930 C GLY A 69 36.530 17.893 -40.383 1.00 0.00 C ATOM 931 O GLY A 69 37.066 16.803 -40.190 1.00 0.00 O ATOM 0 H GLY A 69 34.237 19.210 -38.593 1.00 0.00 H new ATOM 0 HA2 GLY A 69 34.501 17.172 -40.486 1.00 0.00 H new ATOM 0 HA3 GLY A 69 34.661 18.892 -40.779 1.00 0.00 H new ATOM 935 N ALA A 70 37.170 18.982 -40.785 1.00 0.00 N ATOM 936 CA ALA A 70 38.601 18.961 -41.033 1.00 0.00 C ATOM 937 C ALA A 70 39.215 20.281 -40.562 1.00 0.00 C ATOM 938 O ALA A 70 38.587 21.334 -40.666 1.00 0.00 O ATOM 939 CB ALA A 70 38.859 18.695 -42.517 1.00 0.00 C ATOM 0 H ALA A 70 36.723 19.885 -40.945 1.00 0.00 H new ATOM 0 HA ALA A 70 39.076 18.157 -40.471 1.00 0.00 H new ATOM 0 HB1 ALA A 70 39.933 18.679 -42.702 1.00 0.00 H new ATOM 0 HB2 ALA A 70 38.429 17.733 -42.794 1.00 0.00 H new ATOM 0 HB3 ALA A 70 38.399 19.483 -43.113 1.00 0.00 H new ATOM 945 N TYR A 71 40.435 20.182 -40.056 1.00 0.00 N ATOM 946 CA TYR A 71 41.141 21.355 -39.569 1.00 0.00 C ATOM 947 C TYR A 71 42.526 21.466 -40.210 1.00 0.00 C ATOM 948 O TYR A 71 43.439 20.721 -39.858 1.00 0.00 O ATOM 949 CB TYR A 71 41.305 21.153 -38.061 1.00 0.00 C ATOM 950 CG TYR A 71 40.832 22.340 -37.220 1.00 0.00 C ATOM 951 CD1 TYR A 71 39.494 22.680 -37.197 1.00 0.00 C ATOM 952 CD2 TYR A 71 41.742 23.071 -36.484 1.00 0.00 C ATOM 953 CE1 TYR A 71 39.049 23.798 -36.405 1.00 0.00 C ATOM 954 CE2 TYR A 71 41.297 24.189 -35.693 1.00 0.00 C ATOM 955 CZ TYR A 71 39.972 24.497 -35.692 1.00 0.00 C ATOM 956 OH TYR A 71 39.552 25.552 -34.944 1.00 0.00 O ATOM 0 H TYR A 71 40.953 19.307 -39.973 1.00 0.00 H new ATOM 0 HA TYR A 71 40.589 22.263 -39.811 1.00 0.00 H new ATOM 0 HB2 TYR A 71 40.750 20.264 -37.761 1.00 0.00 H new ATOM 0 HB3 TYR A 71 42.356 20.961 -37.842 1.00 0.00 H new ATOM 0 HD1 TYR A 71 38.781 22.108 -37.773 1.00 0.00 H new ATOM 0 HD2 TYR A 71 42.788 22.805 -36.501 1.00 0.00 H new ATOM 0 HE1 TYR A 71 38.005 24.075 -36.378 1.00 0.00 H new ATOM 0 HE2 TYR A 71 41.999 24.770 -35.114 1.00 0.00 H new ATOM 0 HH TYR A 71 40.320 25.956 -34.488 1.00 0.00 H new ATOM 966 N SER A 72 42.639 22.404 -41.140 1.00 0.00 N ATOM 967 CA SER A 72 43.898 22.622 -41.833 1.00 0.00 C ATOM 968 C SER A 72 43.924 24.026 -42.439 1.00 0.00 C ATOM 969 O SER A 72 42.879 24.580 -42.778 1.00 0.00 O ATOM 970 CB SER A 72 44.117 21.570 -42.921 1.00 0.00 C ATOM 971 OG SER A 72 44.976 20.520 -42.483 1.00 0.00 O ATOM 0 H SER A 72 41.880 23.021 -41.429 1.00 0.00 H new ATOM 0 HA SER A 72 44.708 22.530 -41.109 1.00 0.00 H new ATOM 0 HB2 SER A 72 43.156 21.151 -43.219 1.00 0.00 H new ATOM 0 HB3 SER A 72 44.546 22.045 -43.804 1.00 0.00 H new ATOM 0 HG SER A 72 44.745 20.270 -41.564 1.00 0.00 H new ATOM 977 N SER A 73 45.130 24.562 -42.559 1.00 0.00 N ATOM 978 CA SER A 73 45.306 25.892 -43.119 1.00 0.00 C ATOM 979 C SER A 73 44.634 26.932 -42.219 1.00 0.00 C ATOM 980 O SER A 73 43.572 26.675 -41.654 1.00 0.00 O ATOM 981 CB SER A 73 44.738 25.971 -44.537 1.00 0.00 C ATOM 982 OG SER A 73 45.465 26.886 -45.353 1.00 0.00 O ATOM 0 H SER A 73 45.995 24.100 -42.278 1.00 0.00 H new ATOM 0 HA SER A 73 46.374 26.103 -43.172 1.00 0.00 H new ATOM 0 HB2 SER A 73 44.762 24.981 -44.993 1.00 0.00 H new ATOM 0 HB3 SER A 73 43.693 26.277 -44.492 1.00 0.00 H new ATOM 0 HG SER A 73 45.073 26.907 -46.251 1.00 0.00 H new ATOM 988 N HIS A 74 45.281 28.083 -42.115 1.00 0.00 N ATOM 989 CA HIS A 74 44.760 29.163 -41.294 1.00 0.00 C ATOM 990 C HIS A 74 44.741 28.729 -39.827 1.00 0.00 C ATOM 991 O HIS A 74 44.241 27.653 -39.500 1.00 0.00 O ATOM 992 CB HIS A 74 43.387 29.613 -41.797 1.00 0.00 C ATOM 993 CG HIS A 74 43.024 31.027 -41.408 1.00 0.00 C ATOM 994 ND1 HIS A 74 42.421 31.913 -42.282 1.00 0.00 N ATOM 995 CD2 HIS A 74 43.185 31.696 -40.230 1.00 0.00 C ATOM 996 CE1 HIS A 74 42.232 33.062 -41.649 1.00 0.00 C ATOM 997 NE2 HIS A 74 42.707 32.925 -40.378 1.00 0.00 N ATOM 0 H HIS A 74 46.162 28.292 -42.586 1.00 0.00 H new ATOM 0 HA HIS A 74 45.414 30.032 -41.371 1.00 0.00 H new ATOM 0 HB2 HIS A 74 43.364 29.529 -42.883 1.00 0.00 H new ATOM 0 HB3 HIS A 74 42.628 28.934 -41.408 1.00 0.00 H new ATOM 0 HD2 HIS A 74 43.626 31.294 -39.330 1.00 0.00 H new ATOM 0 HE1 HIS A 74 41.781 33.950 -42.066 1.00 0.00 H new ATOM 0 HE2 HIS A 74 42.697 33.649 -39.659 1.00 0.00 H new ATOM 1005 N ASP A 75 45.292 29.587 -38.982 1.00 0.00 N ATOM 1006 CA ASP A 75 45.345 29.306 -37.557 1.00 0.00 C ATOM 1007 C ASP A 75 46.206 28.065 -37.318 1.00 0.00 C ATOM 1008 O ASP A 75 46.502 27.721 -36.175 1.00 0.00 O ATOM 1009 CB ASP A 75 43.948 29.028 -36.999 1.00 0.00 C ATOM 1010 CG ASP A 75 43.878 28.875 -35.478 1.00 0.00 C ATOM 1011 OD1 ASP A 75 44.536 29.615 -34.731 1.00 0.00 O ATOM 1012 OD2 ASP A 75 43.098 27.936 -35.060 1.00 0.00 O ATOM 0 H ASP A 75 45.706 30.478 -39.257 1.00 0.00 H new ATOM 0 HA ASP A 75 45.766 30.178 -37.056 1.00 0.00 H new ATOM 0 HB2 ASP A 75 43.285 29.840 -37.298 1.00 0.00 H new ATOM 0 HB3 ASP A 75 43.564 28.117 -37.459 1.00 0.00 H new TER 1018 ASP A 75