USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 639 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 GLY N :NH3+ -128:sc= 0.00685 (180deg=0) USER MOD Single : A 2 SER OG : rot 65:sc= 0.093 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.092 X(o=-0.092,f=-0.21) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.535 K(o=0.54,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00514 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0.978 (180deg=0.977) USER MOD Single : A 32 MET CE :methyl 172:sc= -0.249 (180deg=-0.496) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 40 GLN : amide:sc= -0.0424 K(o=-0.042,f=-1.5) USER MOD Single : A 48 CYS SG : rot -140:sc= -0.664 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0793 X(o=-0.079,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.466 USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= 1.2 (180deg=1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.007 6.501 -15.421 1.00 25.00 N ATOM 2 CA GLY A 1 -0.612 6.190 -16.824 1.00 25.00 C ATOM 3 C GLY A 1 0.772 5.578 -16.991 1.00 25.00 C ATOM 4 O GLY A 1 1.416 5.150 -16.057 1.00 25.00 O ATOM 0 H1 GLY A 1 -1.934 6.076 -15.219 1.00 25.00 H new ATOM 0 H2 GLY A 1 -0.298 6.113 -14.767 1.00 25.00 H new ATOM 0 H3 GLY A 1 -1.065 7.532 -15.297 1.00 25.00 H new ATOM 0 HA2 GLY A 1 -1.347 5.506 -17.248 1.00 25.00 H new ATOM 0 HA3 GLY A 1 -0.658 7.109 -17.409 1.00 25.00 H new ATOM 9 N SER A 2 1.267 5.586 -18.237 1.00 25.00 N ATOM 10 CA SER A 2 2.593 5.069 -18.590 1.00 25.00 C ATOM 11 C SER A 2 3.689 6.079 -18.225 1.00 25.00 C ATOM 12 O SER A 2 4.419 6.573 -19.086 1.00 25.00 O ATOM 13 CB SER A 2 2.626 4.774 -20.090 1.00 25.00 C ATOM 14 OG SER A 2 2.200 5.915 -20.817 1.00 25.00 O ATOM 0 H SER A 2 0.751 5.956 -19.035 1.00 25.00 H new ATOM 0 HA SER A 2 2.781 4.154 -18.028 1.00 25.00 H new ATOM 0 HB2 SER A 2 3.636 4.496 -20.392 1.00 25.00 H new ATOM 0 HB3 SER A 2 1.980 3.926 -20.317 1.00 25.00 H new ATOM 0 HG SER A 2 2.839 6.646 -20.682 1.00 25.00 H new ATOM 20 N MET A 3 3.768 6.423 -16.950 1.00 25.00 N ATOM 21 CA MET A 3 4.706 7.435 -16.474 1.00 25.00 C ATOM 22 C MET A 3 6.150 6.949 -16.532 1.00 25.00 C ATOM 23 O MET A 3 6.595 6.204 -15.674 1.00 25.00 O ATOM 24 CB MET A 3 4.362 7.843 -15.038 1.00 25.00 C ATOM 25 CG MET A 3 3.006 8.527 -14.905 1.00 25.00 C ATOM 26 SD MET A 3 2.947 10.081 -15.832 1.00 25.00 S ATOM 27 CE MET A 3 1.277 10.645 -15.463 1.00 25.00 C ATOM 0 H MET A 3 3.189 6.013 -16.217 1.00 25.00 H new ATOM 0 HA MET A 3 4.614 8.296 -17.136 1.00 25.00 H new ATOM 0 HB2 MET A 3 4.376 6.956 -14.404 1.00 25.00 H new ATOM 0 HB3 MET A 3 5.136 8.514 -14.665 1.00 25.00 H new ATOM 0 HG2 MET A 3 2.224 7.858 -15.265 1.00 25.00 H new ATOM 0 HG3 MET A 3 2.799 8.723 -13.853 1.00 25.00 H new ATOM 0 HE1 MET A 3 1.094 11.594 -15.966 1.00 25.00 H new ATOM 0 HE2 MET A 3 0.557 9.904 -15.812 1.00 25.00 H new ATOM 0 HE3 MET A 3 1.167 10.778 -14.387 1.00 25.00 H new ATOM 37 N LYS A 4 6.859 7.409 -17.560 1.00 25.00 N ATOM 38 CA LYS A 4 8.293 7.124 -17.782 1.00 25.00 C ATOM 39 C LYS A 4 8.617 5.638 -17.970 1.00 25.00 C ATOM 40 O LYS A 4 9.777 5.247 -17.912 1.00 25.00 O ATOM 41 CB LYS A 4 9.158 7.708 -16.644 1.00 25.00 C ATOM 42 CG LYS A 4 8.946 9.207 -16.367 1.00 25.00 C ATOM 43 CD LYS A 4 9.341 10.079 -17.560 1.00 25.00 C ATOM 44 CE LYS A 4 9.233 11.559 -17.207 1.00 25.00 C ATOM 45 NZ LYS A 4 9.600 12.431 -18.379 1.00 25.00 N ATOM 0 H LYS A 4 6.453 8.004 -18.283 1.00 25.00 H new ATOM 0 HA LYS A 4 8.537 7.615 -18.724 1.00 25.00 H new ATOM 0 HB2 LYS A 4 8.951 7.152 -15.729 1.00 25.00 H new ATOM 0 HB3 LYS A 4 10.208 7.544 -16.886 1.00 25.00 H new ATOM 0 HG2 LYS A 4 7.899 9.384 -16.121 1.00 25.00 H new ATOM 0 HG3 LYS A 4 9.532 9.500 -15.496 1.00 25.00 H new ATOM 0 HD2 LYS A 4 10.361 9.846 -17.864 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.696 9.855 -18.410 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.216 11.785 -16.888 1.00 25.00 H new ATOM 0 HE3 LYS A 4 9.889 11.783 -16.365 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 9.517 13.431 -18.107 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 10.579 12.231 -18.667 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 8.958 12.234 -19.173 1.00 25.00 H new ATOM 59 N TYR A 5 7.606 4.838 -18.264 1.00 25.00 N ATOM 60 CA TYR A 5 7.819 3.435 -18.603 1.00 25.00 C ATOM 61 C TYR A 5 8.369 3.360 -20.017 1.00 25.00 C ATOM 62 O TYR A 5 8.269 4.325 -20.774 1.00 25.00 O ATOM 63 CB TYR A 5 6.506 2.655 -18.523 1.00 25.00 C ATOM 64 CG TYR A 5 6.186 2.207 -17.124 1.00 25.00 C ATOM 65 CD1 TYR A 5 5.060 2.699 -16.434 1.00 25.00 C ATOM 66 CD2 TYR A 5 7.020 1.278 -16.474 1.00 25.00 C ATOM 67 CE1 TYR A 5 4.770 2.254 -15.118 1.00 25.00 C ATOM 68 CE2 TYR A 5 6.740 0.832 -15.173 1.00 25.00 C ATOM 69 CZ TYR A 5 5.611 1.318 -14.501 1.00 25.00 C ATOM 70 OH TYR A 5 5.323 0.881 -13.234 1.00 25.00 O ATOM 0 H TYR A 5 6.629 5.132 -18.276 1.00 25.00 H new ATOM 0 HA TYR A 5 8.522 2.995 -17.896 1.00 25.00 H new ATOM 0 HB2 TYR A 5 5.694 3.279 -18.896 1.00 25.00 H new ATOM 0 HB3 TYR A 5 6.564 1.784 -19.175 1.00 25.00 H new ATOM 0 HD1 TYR A 5 4.413 3.420 -16.910 1.00 25.00 H new ATOM 0 HD2 TYR A 5 7.893 0.901 -16.986 1.00 25.00 H new ATOM 0 HE1 TYR A 5 3.905 2.635 -14.595 1.00 25.00 H new ATOM 0 HE2 TYR A 5 7.392 0.118 -14.692 1.00 25.00 H new ATOM 0 HH TYR A 5 6.001 0.234 -12.949 1.00 25.00 H new ATOM 80 N LEU A 6 8.911 2.204 -20.385 1.00 25.00 N ATOM 81 CA LEU A 6 9.444 2.008 -21.734 1.00 25.00 C ATOM 82 C LEU A 6 8.325 2.145 -22.756 1.00 25.00 C ATOM 83 O LEU A 6 8.519 2.718 -23.824 1.00 25.00 O ATOM 84 CB LEU A 6 10.083 0.623 -21.859 1.00 25.00 C ATOM 85 CG LEU A 6 11.279 0.345 -20.935 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.681 -1.108 -21.090 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.468 1.251 -21.233 1.00 25.00 C ATOM 0 H LEU A 6 8.994 1.391 -19.774 1.00 25.00 H new ATOM 0 HA LEU A 6 10.204 2.767 -21.922 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.317 -0.127 -21.664 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.407 0.486 -22.891 1.00 25.00 H new ATOM 0 HG LEU A 6 10.974 0.554 -19.910 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.530 -1.322 -20.440 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.843 -1.749 -20.815 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.960 -1.300 -22.126 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.286 1.014 -20.553 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.795 1.096 -22.261 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.175 2.292 -21.099 1.00 25.00 H new ATOM 99 N ASN A 7 7.151 1.638 -22.390 1.00 25.00 N ATOM 100 CA ASN A 7 5.934 1.749 -23.203 1.00 25.00 C ATOM 101 C ASN A 7 6.124 1.180 -24.616 1.00 25.00 C ATOM 102 O ASN A 7 5.589 1.699 -25.595 1.00 25.00 O ATOM 103 CB ASN A 7 5.477 3.216 -23.263 1.00 25.00 C ATOM 104 CG ASN A 7 4.031 3.353 -23.651 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.159 2.752 -23.044 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.762 4.157 -24.643 1.00 25.00 N ATOM 0 H ASN A 7 7.012 1.134 -21.514 1.00 25.00 H new ATOM 0 HA ASN A 7 5.160 1.150 -22.724 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.635 3.682 -22.291 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.095 3.757 -23.980 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.795 4.301 -24.935 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.518 4.642 -25.126 1.00 25.00 H new ATOM 113 N VAL A 8 6.886 0.101 -24.709 1.00 25.00 N ATOM 114 CA VAL A 8 7.135 -0.565 -25.988 1.00 25.00 C ATOM 115 C VAL A 8 6.288 -1.812 -26.000 1.00 25.00 C ATOM 116 O VAL A 8 6.320 -2.581 -25.061 1.00 25.00 O ATOM 117 CB VAL A 8 8.612 -0.989 -26.140 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.833 -1.753 -27.451 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.534 0.231 -26.080 1.00 25.00 C ATOM 0 H VAL A 8 7.347 -0.338 -23.912 1.00 25.00 H new ATOM 0 HA VAL A 8 6.897 0.120 -26.802 1.00 25.00 H new ATOM 0 HB VAL A 8 8.855 -1.653 -25.310 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.881 -2.040 -27.533 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.210 -2.648 -27.460 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.564 -1.115 -28.293 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.570 -0.090 -26.189 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.280 0.919 -26.887 1.00 25.00 H new ATOM 0 HG23 VAL A 8 9.409 0.735 -25.121 1.00 25.00 H new ATOM 129 N LEU A 9 5.531 -2.023 -27.055 1.00 25.00 N ATOM 130 CA LEU A 9 4.669 -3.198 -27.131 1.00 25.00 C ATOM 131 C LEU A 9 5.314 -4.260 -27.988 1.00 25.00 C ATOM 132 O LEU A 9 6.136 -3.975 -28.871 1.00 25.00 O ATOM 133 CB LEU A 9 3.264 -2.879 -27.665 1.00 25.00 C ATOM 134 CG LEU A 9 2.983 -1.491 -28.246 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.742 -1.573 -29.126 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.754 -0.452 -27.130 1.00 25.00 C ATOM 0 H LEU A 9 5.490 -1.408 -27.867 1.00 25.00 H new ATOM 0 HA LEU A 9 4.547 -3.563 -26.111 1.00 25.00 H new ATOM 0 HB2 LEU A 9 3.033 -3.611 -28.439 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.558 -3.043 -26.850 1.00 25.00 H new ATOM 0 HG LEU A 9 3.847 -1.173 -28.829 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.529 -0.591 -29.547 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.915 -2.284 -29.934 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.893 -1.903 -28.528 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.557 0.523 -27.576 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.900 -0.753 -26.523 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.643 -0.391 -26.502 1.00 25.00 H new ATOM 148 N ALA A 10 4.943 -5.495 -27.712 1.00 25.00 N ATOM 149 CA ALA A 10 5.489 -6.631 -28.414 1.00 25.00 C ATOM 150 C ALA A 10 4.400 -7.676 -28.640 1.00 25.00 C ATOM 151 O ALA A 10 3.453 -7.781 -27.860 1.00 25.00 O ATOM 152 CB ALA A 10 6.646 -7.224 -27.604 1.00 25.00 C ATOM 0 H ALA A 10 4.257 -5.735 -26.997 1.00 25.00 H new ATOM 0 HA ALA A 10 5.866 -6.312 -29.386 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.059 -8.082 -28.134 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.423 -6.470 -27.473 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.281 -7.542 -26.627 1.00 25.00 H new ATOM 158 N LYS A 11 4.557 -8.453 -29.701 1.00 25.00 N ATOM 159 CA LYS A 11 3.623 -9.531 -30.027 1.00 25.00 C ATOM 160 C LYS A 11 4.258 -10.853 -29.641 1.00 25.00 C ATOM 161 O LYS A 11 5.422 -11.086 -29.954 1.00 25.00 O ATOM 162 CB LYS A 11 3.321 -9.525 -31.528 1.00 25.00 C ATOM 163 CG LYS A 11 2.295 -10.579 -31.963 1.00 25.00 C ATOM 164 CD LYS A 11 2.889 -11.604 -32.925 1.00 25.00 C ATOM 165 CE LYS A 11 3.065 -11.026 -34.323 1.00 25.00 C ATOM 166 NZ LYS A 11 3.486 -12.094 -35.292 1.00 25.00 N ATOM 0 H LYS A 11 5.330 -8.359 -30.360 1.00 25.00 H new ATOM 0 HA LYS A 11 2.690 -9.389 -29.481 1.00 25.00 H new ATOM 0 HB2 LYS A 11 2.954 -8.538 -31.810 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.249 -9.689 -32.075 1.00 25.00 H new ATOM 0 HG2 LYS A 11 1.909 -11.092 -31.082 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.449 -10.084 -32.440 1.00 25.00 H new ATOM 0 HD2 LYS A 11 3.854 -11.942 -32.547 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.240 -12.479 -32.971 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.130 -10.575 -34.655 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.812 -10.232 -34.302 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.600 -11.678 -36.239 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 4.390 -12.506 -34.983 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.760 -12.838 -35.326 1.00 25.00 H new ATOM 180 N ALA A 12 3.507 -11.728 -28.997 1.00 25.00 N ATOM 181 CA ALA A 12 4.032 -13.033 -28.624 1.00 25.00 C ATOM 182 C ALA A 12 4.144 -13.930 -29.860 1.00 25.00 C ATOM 183 O ALA A 12 3.240 -13.986 -30.696 1.00 25.00 O ATOM 184 CB ALA A 12 3.138 -13.672 -27.581 1.00 25.00 C ATOM 0 H ALA A 12 2.539 -11.563 -28.722 1.00 25.00 H new ATOM 0 HA ALA A 12 5.028 -12.907 -28.199 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.538 -14.648 -27.308 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.098 -13.036 -26.697 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.134 -13.792 -27.987 1.00 25.00 H new ATOM 190 N LEU A 13 5.267 -14.617 -29.964 1.00 25.00 N ATOM 191 CA LEU A 13 5.544 -15.526 -31.078 1.00 25.00 C ATOM 192 C LEU A 13 5.112 -16.943 -30.735 1.00 25.00 C ATOM 193 O LEU A 13 4.794 -17.737 -31.613 1.00 25.00 O ATOM 194 CB LEU A 13 7.049 -15.539 -31.369 1.00 25.00 C ATOM 195 CG LEU A 13 7.642 -14.237 -31.922 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.166 -14.314 -31.891 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.153 -13.996 -33.362 1.00 25.00 C ATOM 0 H LEU A 13 6.021 -14.565 -29.279 1.00 25.00 H new ATOM 0 HA LEU A 13 4.988 -15.177 -31.948 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.574 -15.791 -30.448 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.254 -16.338 -32.081 1.00 25.00 H new ATOM 0 HG LEU A 13 7.312 -13.404 -31.301 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.585 -13.388 -32.284 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.502 -14.457 -30.864 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.500 -15.152 -32.502 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.582 -13.069 -33.741 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.465 -14.826 -33.996 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.066 -13.923 -33.369 1.00 25.00 H new ATOM 209 N TYR A 14 5.116 -17.245 -29.449 1.00 25.00 N ATOM 210 CA TYR A 14 4.766 -18.569 -28.950 1.00 25.00 C ATOM 211 C TYR A 14 3.648 -18.366 -27.952 1.00 25.00 C ATOM 212 O TYR A 14 3.509 -17.276 -27.410 1.00 25.00 O ATOM 213 CB TYR A 14 5.962 -19.213 -28.246 1.00 25.00 C ATOM 214 CG TYR A 14 7.205 -19.309 -29.108 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.473 -20.462 -29.871 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.129 -18.246 -29.156 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.646 -20.547 -30.675 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.302 -18.329 -29.949 1.00 25.00 C ATOM 219 CZ TYR A 14 9.548 -19.479 -30.702 1.00 25.00 C ATOM 220 OH TYR A 14 10.680 -19.564 -31.470 1.00 25.00 O ATOM 0 H TYR A 14 5.362 -16.579 -28.717 1.00 25.00 H new ATOM 0 HA TYR A 14 4.468 -19.224 -29.769 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.197 -18.638 -27.350 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.682 -20.214 -27.917 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.781 -21.291 -29.846 1.00 25.00 H new ATOM 0 HD2 TYR A 14 7.941 -17.353 -28.579 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.838 -21.433 -31.262 1.00 25.00 H new ATOM 0 HE2 TYR A 14 10.002 -17.507 -29.970 1.00 25.00 H new ATOM 0 HH TYR A 14 11.200 -18.738 -31.379 1.00 25.00 H new ATOM 230 N ASP A 15 2.870 -19.400 -27.691 1.00 25.00 N ATOM 231 CA ASP A 15 1.852 -19.336 -26.656 1.00 25.00 C ATOM 232 C ASP A 15 2.433 -19.976 -25.413 1.00 25.00 C ATOM 233 O ASP A 15 3.272 -20.867 -25.503 1.00 25.00 O ATOM 234 CB ASP A 15 0.547 -20.020 -27.086 1.00 25.00 C ATOM 235 CG ASP A 15 0.718 -21.481 -27.439 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.493 -21.801 -28.375 1.00 25.00 O ATOM 237 OD2 ASP A 15 -0.088 -22.278 -26.927 1.00 25.00 O ATOM 0 H ASP A 15 2.922 -20.294 -28.180 1.00 25.00 H new ATOM 0 HA ASP A 15 1.586 -18.297 -26.461 1.00 25.00 H new ATOM 0 HB2 ASP A 15 -0.182 -19.932 -26.281 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.136 -19.492 -27.947 1.00 25.00 H new ATOM 242 N ASN A 16 2.044 -19.454 -24.262 1.00 25.00 N ATOM 243 CA ASN A 16 2.609 -19.879 -22.984 1.00 25.00 C ATOM 244 C ASN A 16 1.550 -19.861 -21.895 1.00 25.00 C ATOM 245 O ASN A 16 0.862 -18.859 -21.711 1.00 25.00 O ATOM 246 CB ASN A 16 3.729 -18.919 -22.581 1.00 25.00 C ATOM 247 CG ASN A 16 4.538 -19.433 -21.424 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.282 -20.390 -21.570 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.412 -18.804 -20.289 1.00 25.00 N ATOM 0 H ASN A 16 1.332 -18.728 -24.183 1.00 25.00 H new ATOM 0 HA ASN A 16 2.992 -20.893 -23.099 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.386 -18.753 -23.435 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.298 -17.953 -22.318 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.948 -19.107 -19.476 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.778 -18.009 -20.214 1.00 25.00 H new ATOM 256 N VAL A 17 1.435 -20.951 -21.154 1.00 25.00 N ATOM 257 CA VAL A 17 0.528 -21.010 -20.024 1.00 25.00 C ATOM 258 C VAL A 17 1.389 -20.888 -18.775 1.00 25.00 C ATOM 259 O VAL A 17 2.326 -21.647 -18.579 1.00 25.00 O ATOM 260 CB VAL A 17 -0.312 -22.318 -20.021 1.00 25.00 C ATOM 261 CG1 VAL A 17 -1.458 -22.201 -21.037 1.00 25.00 C ATOM 262 CG2 VAL A 17 0.541 -23.567 -20.360 1.00 25.00 C ATOM 0 H VAL A 17 1.962 -21.809 -21.317 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.202 -20.202 -20.073 1.00 25.00 H new ATOM 0 HB VAL A 17 -0.706 -22.446 -19.013 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -2.044 -23.120 -21.032 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -2.098 -21.361 -20.768 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.046 -22.039 -22.033 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.092 -24.455 -20.345 1.00 25.00 H new ATOM 0 HG22 VAL A 17 0.979 -23.450 -21.351 1.00 25.00 H new ATOM 0 HG23 VAL A 17 1.336 -23.676 -19.622 1.00 25.00 H new ATOM 272 N ALA A 18 1.109 -19.873 -17.978 1.00 25.00 N ATOM 273 CA ALA A 18 1.897 -19.601 -16.788 1.00 25.00 C ATOM 274 C ALA A 18 1.322 -20.354 -15.596 1.00 25.00 C ATOM 275 O ALA A 18 0.131 -20.237 -15.302 1.00 25.00 O ATOM 276 CB ALA A 18 1.891 -18.115 -16.507 1.00 25.00 C ATOM 0 H ALA A 18 0.340 -19.221 -18.133 1.00 25.00 H new ATOM 0 HA ALA A 18 2.921 -19.935 -16.954 1.00 25.00 H new ATOM 0 HB1 ALA A 18 2.482 -17.911 -15.614 1.00 25.00 H new ATOM 0 HB2 ALA A 18 2.320 -17.582 -17.356 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.866 -17.779 -16.348 1.00 25.00 H new ATOM 282 N GLU A 19 2.174 -21.087 -14.896 1.00 25.00 N ATOM 283 CA GLU A 19 1.773 -21.761 -13.661 1.00 25.00 C ATOM 284 C GLU A 19 2.223 -20.943 -12.451 1.00 25.00 C ATOM 285 O GLU A 19 1.710 -21.107 -11.346 1.00 25.00 O ATOM 286 CB GLU A 19 2.345 -23.181 -13.605 1.00 25.00 C ATOM 287 CG GLU A 19 3.867 -23.269 -13.577 1.00 25.00 C ATOM 288 CD GLU A 19 4.351 -24.713 -13.626 1.00 25.00 C ATOM 289 OE1 GLU A 19 4.044 -25.480 -12.688 1.00 25.00 O ATOM 290 OE2 GLU A 19 5.023 -25.084 -14.612 1.00 25.00 O ATOM 0 H GLU A 19 3.149 -21.233 -15.158 1.00 25.00 H new ATOM 0 HA GLU A 19 0.686 -21.841 -13.643 1.00 25.00 H new ATOM 0 HB2 GLU A 19 1.952 -23.679 -12.718 1.00 25.00 H new ATOM 0 HB3 GLU A 19 1.981 -23.736 -14.470 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.279 -22.719 -14.423 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.242 -22.790 -12.673 1.00 25.00 H new ATOM 297 N SER A 20 3.156 -20.024 -12.672 1.00 25.00 N ATOM 298 CA SER A 20 3.605 -19.136 -11.604 1.00 25.00 C ATOM 299 C SER A 20 2.645 -17.968 -11.542 1.00 25.00 C ATOM 300 O SER A 20 2.204 -17.475 -12.578 1.00 25.00 O ATOM 301 CB SER A 20 4.994 -18.590 -11.895 1.00 25.00 C ATOM 302 OG SER A 20 5.420 -17.687 -10.885 1.00 25.00 O ATOM 0 H SER A 20 3.613 -19.874 -13.571 1.00 25.00 H new ATOM 0 HA SER A 20 3.635 -19.691 -10.667 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.702 -19.415 -11.969 1.00 25.00 H new ATOM 0 HB3 SER A 20 4.992 -18.084 -12.860 1.00 25.00 H new ATOM 0 HG SER A 20 6.317 -17.355 -11.100 1.00 25.00 H new ATOM 308 N PRO A 21 2.345 -17.465 -10.336 1.00 25.00 N ATOM 309 CA PRO A 21 1.459 -16.303 -10.305 1.00 25.00 C ATOM 310 C PRO A 21 2.122 -15.002 -10.761 1.00 25.00 C ATOM 311 O PRO A 21 1.436 -14.024 -11.040 1.00 25.00 O ATOM 312 CB PRO A 21 1.080 -16.225 -8.834 1.00 25.00 C ATOM 313 CG PRO A 21 2.272 -16.734 -8.120 1.00 25.00 C ATOM 314 CD PRO A 21 2.741 -17.880 -8.973 1.00 25.00 C ATOM 0 HA PRO A 21 0.621 -16.416 -10.992 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.846 -15.203 -8.538 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.199 -16.829 -8.618 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.040 -15.966 -8.025 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.024 -17.062 -7.111 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.818 -18.028 -8.893 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.268 -18.818 -8.684 1.00 25.00 H new ATOM 322 N ASP A 22 3.449 -14.995 -10.817 1.00 25.00 N ATOM 323 CA ASP A 22 4.212 -13.804 -11.206 1.00 25.00 C ATOM 324 C ASP A 22 4.536 -13.826 -12.698 1.00 25.00 C ATOM 325 O ASP A 22 5.031 -12.857 -13.255 1.00 25.00 O ATOM 326 CB ASP A 22 5.518 -13.747 -10.409 1.00 25.00 C ATOM 327 CG ASP A 22 6.199 -12.386 -10.493 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.501 -11.355 -10.382 1.00 25.00 O ATOM 329 OD2 ASP A 22 7.444 -12.352 -10.607 1.00 25.00 O ATOM 0 H ASP A 22 4.027 -15.806 -10.597 1.00 25.00 H new ATOM 0 HA ASP A 22 3.604 -12.925 -10.993 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.312 -13.982 -9.365 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.199 -14.513 -10.780 1.00 25.00 H new ATOM 334 N GLU A 23 4.263 -14.948 -13.346 1.00 25.00 N ATOM 335 CA GLU A 23 4.510 -15.097 -14.766 1.00 25.00 C ATOM 336 C GLU A 23 3.215 -14.820 -15.521 1.00 25.00 C ATOM 337 O GLU A 23 2.127 -15.193 -15.077 1.00 25.00 O ATOM 338 CB GLU A 23 5.025 -16.510 -15.039 1.00 25.00 C ATOM 339 CG GLU A 23 5.395 -16.732 -16.470 1.00 25.00 C ATOM 340 CD GLU A 23 6.027 -18.089 -16.721 1.00 25.00 C ATOM 341 OE1 GLU A 23 7.061 -18.399 -16.099 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.496 -18.839 -17.573 1.00 25.00 O ATOM 0 H GLU A 23 3.866 -15.776 -12.902 1.00 25.00 H new ATOM 0 HA GLU A 23 5.266 -14.389 -15.105 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.895 -16.701 -14.411 1.00 25.00 H new ATOM 0 HB3 GLU A 23 4.260 -17.231 -14.751 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.503 -16.634 -17.089 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.088 -15.952 -16.784 1.00 25.00 H new ATOM 349 N LEU A 24 3.315 -14.145 -16.655 1.00 25.00 N ATOM 350 CA LEU A 24 2.128 -13.825 -17.432 1.00 25.00 C ATOM 351 C LEU A 24 1.780 -14.954 -18.396 1.00 25.00 C ATOM 352 O LEU A 24 2.625 -15.444 -19.140 1.00 25.00 O ATOM 353 CB LEU A 24 2.340 -12.532 -18.217 1.00 25.00 C ATOM 354 CG LEU A 24 1.467 -11.347 -17.783 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.899 -10.115 -18.561 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.029 -11.613 -18.012 1.00 25.00 C ATOM 0 H LEU A 24 4.193 -13.812 -17.054 1.00 25.00 H new ATOM 0 HA LEU A 24 1.300 -13.695 -16.735 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.387 -12.241 -18.129 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.152 -12.733 -19.272 1.00 25.00 H new ATOM 0 HG LEU A 24 1.604 -11.194 -16.712 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.287 -9.264 -18.263 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.947 -9.900 -18.350 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.774 -10.296 -19.628 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.606 -10.746 -17.690 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.208 -11.795 -19.072 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.335 -12.487 -17.437 1.00 25.00 H new ATOM 368 N SER A 25 0.512 -15.333 -18.404 1.00 25.00 N ATOM 369 CA SER A 25 0.005 -16.309 -19.366 1.00 25.00 C ATOM 370 C SER A 25 -0.388 -15.516 -20.607 1.00 25.00 C ATOM 371 O SER A 25 -0.987 -14.446 -20.487 1.00 25.00 O ATOM 372 CB SER A 25 -1.207 -17.039 -18.785 1.00 25.00 C ATOM 373 OG SER A 25 -1.673 -18.057 -19.654 1.00 25.00 O ATOM 0 H SER A 25 -0.190 -14.980 -17.754 1.00 25.00 H new ATOM 0 HA SER A 25 0.753 -17.065 -19.604 1.00 25.00 H new ATOM 0 HB2 SER A 25 -0.941 -17.476 -17.822 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.008 -16.324 -18.600 1.00 25.00 H new ATOM 0 HG SER A 25 -2.446 -18.503 -19.250 1.00 25.00 H new ATOM 379 N PHE A 26 -0.041 -16.011 -21.787 1.00 25.00 N ATOM 380 CA PHE A 26 -0.312 -15.293 -23.035 1.00 25.00 C ATOM 381 C PHE A 26 -0.361 -16.262 -24.205 1.00 25.00 C ATOM 382 O PHE A 26 0.054 -17.412 -24.091 1.00 25.00 O ATOM 383 CB PHE A 26 0.770 -14.230 -23.289 1.00 25.00 C ATOM 384 CG PHE A 26 2.178 -14.773 -23.300 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.718 -15.371 -24.456 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.984 -14.667 -22.150 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.052 -15.858 -24.464 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.304 -15.165 -22.142 1.00 25.00 C ATOM 389 CZ PHE A 26 4.842 -15.756 -23.301 1.00 25.00 C ATOM 0 H PHE A 26 0.429 -16.907 -21.911 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.280 -14.800 -22.941 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.571 -13.746 -24.245 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.695 -13.460 -22.521 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.111 -15.460 -25.345 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.586 -14.198 -21.262 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.460 -16.305 -25.358 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.902 -15.093 -21.246 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.855 -16.130 -23.299 1.00 25.00 H new ATOM 399 N ARG A 27 -0.858 -15.807 -25.345 1.00 25.00 N ATOM 400 CA ARG A 27 -0.934 -16.665 -26.529 1.00 25.00 C ATOM 401 C ARG A 27 -0.161 -16.059 -27.678 1.00 25.00 C ATOM 402 O ARG A 27 0.009 -14.861 -27.756 1.00 25.00 O ATOM 403 CB ARG A 27 -2.396 -16.888 -26.942 1.00 25.00 C ATOM 404 CG ARG A 27 -3.253 -17.614 -25.884 1.00 25.00 C ATOM 405 CD ARG A 27 -2.742 -19.036 -25.633 1.00 25.00 C ATOM 406 NE ARG A 27 -3.561 -19.775 -24.661 1.00 25.00 N ATOM 407 CZ ARG A 27 -3.337 -21.027 -24.270 1.00 25.00 C ATOM 408 NH1 ARG A 27 -2.348 -21.753 -24.741 1.00 25.00 N ATOM 409 NH2 ARG A 27 -4.131 -21.564 -23.386 1.00 25.00 N ATOM 0 H ARG A 27 -1.212 -14.860 -25.480 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.489 -17.628 -26.277 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.851 -15.922 -27.160 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.416 -17.465 -27.866 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -3.238 -17.050 -24.951 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -4.290 -17.652 -26.217 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -2.725 -19.582 -26.576 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -1.714 -18.989 -25.273 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.362 -19.291 -24.255 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -1.713 -21.360 -25.436 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -2.215 -22.709 -24.411 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -4.909 -21.025 -23.006 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -3.974 -22.523 -23.075 1.00 25.00 H new ATOM 423 N LYS A 28 0.284 -16.902 -28.590 1.00 25.00 N ATOM 424 CA LYS A 28 0.947 -16.426 -29.805 1.00 25.00 C ATOM 425 C LYS A 28 -0.041 -15.551 -30.567 1.00 25.00 C ATOM 426 O LYS A 28 -1.204 -15.907 -30.722 1.00 25.00 O ATOM 427 CB LYS A 28 1.446 -17.598 -30.667 1.00 25.00 C ATOM 428 CG LYS A 28 0.407 -18.681 -30.987 1.00 25.00 C ATOM 429 CD LYS A 28 1.100 -20.012 -31.260 1.00 25.00 C ATOM 430 CE LYS A 28 0.090 -21.155 -31.350 1.00 25.00 C ATOM 431 NZ LYS A 28 0.745 -22.475 -31.035 1.00 25.00 N ATOM 0 H LYS A 28 0.203 -17.916 -28.520 1.00 25.00 H new ATOM 0 HA LYS A 28 1.830 -15.843 -29.543 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.827 -17.197 -31.607 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.287 -18.067 -30.157 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.286 -18.788 -30.153 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.182 -18.385 -31.855 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.663 -19.947 -32.191 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.818 -20.220 -30.467 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.731 -20.976 -30.655 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.341 -21.187 -32.351 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 0.044 -23.239 -31.119 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 1.524 -22.644 -31.703 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 1.120 -22.454 -30.065 1.00 25.00 H new ATOM 445 N GLY A 29 0.421 -14.383 -30.980 1.00 25.00 N ATOM 446 CA GLY A 29 -0.436 -13.411 -31.645 1.00 25.00 C ATOM 447 C GLY A 29 -0.934 -12.322 -30.712 1.00 25.00 C ATOM 448 O GLY A 29 -1.310 -11.253 -31.174 1.00 25.00 O ATOM 0 H GLY A 29 1.389 -14.082 -30.867 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.113 -12.953 -32.468 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.291 -13.927 -32.081 1.00 25.00 H new ATOM 452 N ASP A 30 -0.914 -12.579 -29.410 1.00 25.00 N ATOM 453 CA ASP A 30 -1.382 -11.607 -28.415 1.00 25.00 C ATOM 454 C ASP A 30 -0.393 -10.445 -28.309 1.00 25.00 C ATOM 455 O ASP A 30 0.798 -10.601 -28.623 1.00 25.00 O ATOM 456 CB ASP A 30 -1.537 -12.298 -27.057 1.00 25.00 C ATOM 457 CG ASP A 30 -2.572 -11.641 -26.173 1.00 25.00 C ATOM 458 OD1 ASP A 30 -2.956 -12.284 -25.174 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.040 -10.528 -26.491 1.00 25.00 O ATOM 0 H ASP A 30 -0.578 -13.456 -29.011 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.349 -11.211 -28.726 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.812 -13.341 -27.216 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.576 -12.297 -26.543 1.00 25.00 H new ATOM 464 N ILE A 31 -0.889 -9.287 -27.892 1.00 25.00 N ATOM 465 CA ILE A 31 -0.098 -8.055 -27.825 1.00 25.00 C ATOM 466 C ILE A 31 -0.017 -7.593 -26.377 1.00 25.00 C ATOM 467 O ILE A 31 -1.037 -7.423 -25.723 1.00 25.00 O ATOM 468 CB ILE A 31 -0.764 -6.899 -28.653 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.143 -7.364 -30.081 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.169 -5.654 -28.696 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.018 -7.805 -30.974 1.00 25.00 C ATOM 0 H ILE A 31 -1.856 -9.171 -27.588 1.00 25.00 H new ATOM 0 HA ILE A 31 0.889 -8.271 -28.235 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.690 -6.618 -28.151 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.846 -8.193 -29.997 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.669 -6.550 -30.579 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.308 -4.862 -29.274 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.353 -5.302 -27.681 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.116 -5.925 -29.164 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.367 -8.108 -31.948 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.714 -6.976 -31.101 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.535 -8.645 -30.510 1.00 25.00 H new ATOM 483 N MET A 32 1.190 -7.364 -25.886 1.00 25.00 N ATOM 484 CA MET A 32 1.390 -6.912 -24.509 1.00 25.00 C ATOM 485 C MET A 32 2.402 -5.780 -24.504 1.00 25.00 C ATOM 486 O MET A 32 3.182 -5.644 -25.448 1.00 25.00 O ATOM 487 CB MET A 32 1.867 -8.082 -23.646 1.00 25.00 C ATOM 488 CG MET A 32 3.203 -8.672 -24.080 1.00 25.00 C ATOM 489 SD MET A 32 3.353 -10.370 -23.521 1.00 25.00 S ATOM 490 CE MET A 32 2.335 -11.205 -24.755 1.00 25.00 C ATOM 0 H MET A 32 2.052 -7.483 -26.418 1.00 25.00 H new ATOM 0 HA MET A 32 0.452 -6.546 -24.092 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.949 -7.747 -22.612 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.111 -8.867 -23.668 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.289 -8.632 -25.166 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.020 -8.076 -23.673 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.435 -12.284 -24.639 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.292 -10.920 -24.619 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.663 -10.915 -25.753 1.00 25.00 H new ATOM 500 N THR A 33 2.379 -4.959 -23.466 1.00 25.00 N ATOM 501 CA THR A 33 3.280 -3.803 -23.388 1.00 25.00 C ATOM 502 C THR A 33 4.369 -4.055 -22.363 1.00 25.00 C ATOM 503 O THR A 33 4.082 -4.401 -21.221 1.00 25.00 O ATOM 504 CB THR A 33 2.506 -2.517 -23.021 1.00 25.00 C ATOM 505 OG1 THR A 33 1.415 -2.354 -23.932 1.00 25.00 O ATOM 506 CG2 THR A 33 3.394 -1.282 -23.124 1.00 25.00 C ATOM 0 H THR A 33 1.754 -5.064 -22.667 1.00 25.00 H new ATOM 0 HA THR A 33 3.733 -3.664 -24.370 1.00 25.00 H new ATOM 0 HB THR A 33 2.156 -2.617 -21.994 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.918 -1.541 -23.705 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.817 -0.396 -22.859 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.238 -1.383 -22.442 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.763 -1.183 -24.145 1.00 25.00 H new ATOM 514 N VAL A 34 5.615 -3.894 -22.782 1.00 25.00 N ATOM 515 CA VAL A 34 6.768 -4.075 -21.909 1.00 25.00 C ATOM 516 C VAL A 34 6.917 -2.807 -21.082 1.00 25.00 C ATOM 517 O VAL A 34 7.006 -1.694 -21.621 1.00 25.00 O ATOM 518 CB VAL A 34 8.077 -4.320 -22.727 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.283 -4.466 -21.797 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.946 -5.588 -23.596 1.00 25.00 C ATOM 0 H VAL A 34 5.857 -3.634 -23.738 1.00 25.00 H new ATOM 0 HA VAL A 34 6.610 -4.949 -21.277 1.00 25.00 H new ATOM 0 HB VAL A 34 8.230 -3.455 -23.373 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.182 -4.636 -22.390 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.402 -3.555 -21.210 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.126 -5.311 -21.127 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.868 -5.741 -24.158 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.764 -6.451 -22.955 1.00 25.00 H new ATOM 0 HG23 VAL A 34 7.114 -5.469 -24.290 1.00 25.00 H new ATOM 530 N LEU A 35 6.909 -2.973 -19.770 1.00 25.00 N ATOM 531 CA LEU A 35 7.029 -1.857 -18.848 1.00 25.00 C ATOM 532 C LEU A 35 8.501 -1.607 -18.566 1.00 25.00 C ATOM 533 O LEU A 35 8.976 -0.474 -18.635 1.00 25.00 O ATOM 534 CB LEU A 35 6.297 -2.186 -17.541 1.00 25.00 C ATOM 535 CG LEU A 35 4.783 -2.435 -17.661 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.232 -2.842 -16.299 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.044 -1.191 -18.173 1.00 25.00 C ATOM 0 H LEU A 35 6.819 -3.882 -19.316 1.00 25.00 H new ATOM 0 HA LEU A 35 6.583 -0.965 -19.287 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.757 -3.072 -17.103 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.456 -1.365 -16.842 1.00 25.00 H new ATOM 0 HG LEU A 35 4.623 -3.235 -18.384 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.160 -3.020 -16.379 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.727 -3.754 -15.964 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.415 -2.044 -15.579 1.00 25.00 H new ATOM 0 HD21 LEU A 35 2.978 -1.405 -18.245 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.202 -0.363 -17.481 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.427 -0.920 -19.157 1.00 25.00 H new ATOM 549 N GLU A 36 9.216 -2.688 -18.288 1.00 25.00 N ATOM 550 CA GLU A 36 10.644 -2.655 -17.979 1.00 25.00 C ATOM 551 C GLU A 36 11.224 -4.015 -18.377 1.00 25.00 C ATOM 552 O GLU A 36 10.473 -4.941 -18.690 1.00 25.00 O ATOM 553 CB GLU A 36 10.874 -2.371 -16.491 1.00 25.00 C ATOM 554 CG GLU A 36 10.245 -3.385 -15.565 1.00 25.00 C ATOM 555 CD GLU A 36 10.426 -3.021 -14.110 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.173 -3.735 -13.410 1.00 25.00 O ATOM 557 OE2 GLU A 36 9.813 -2.028 -13.663 1.00 25.00 O ATOM 0 H GLU A 36 8.818 -3.627 -18.270 1.00 25.00 H new ATOM 0 HA GLU A 36 11.138 -1.855 -18.530 1.00 25.00 H new ATOM 0 HB2 GLU A 36 11.947 -2.337 -16.300 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.477 -1.384 -16.255 1.00 25.00 H new ATOM 0 HG2 GLU A 36 9.181 -3.466 -15.787 1.00 25.00 H new ATOM 0 HG3 GLU A 36 10.685 -4.365 -15.750 1.00 25.00 H new ATOM 564 N ARG A 37 12.545 -4.138 -18.389 1.00 25.00 N ATOM 565 CA ARG A 37 13.204 -5.383 -18.798 1.00 25.00 C ATOM 566 C ARG A 37 14.124 -5.871 -17.705 1.00 25.00 C ATOM 567 O ARG A 37 14.608 -5.074 -16.919 1.00 25.00 O ATOM 568 CB ARG A 37 14.075 -5.162 -20.029 1.00 25.00 C ATOM 569 CG ARG A 37 13.365 -4.674 -21.282 1.00 25.00 C ATOM 570 CD ARG A 37 14.322 -4.714 -22.495 1.00 25.00 C ATOM 571 NE ARG A 37 15.579 -3.973 -22.239 1.00 25.00 N ATOM 572 CZ ARG A 37 16.724 -4.516 -21.822 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.864 -5.800 -21.637 1.00 25.00 N ATOM 574 NH2 ARG A 37 17.740 -3.745 -21.562 1.00 25.00 N ATOM 0 H ARG A 37 13.187 -3.392 -18.121 1.00 25.00 H new ATOM 0 HA ARG A 37 12.416 -6.106 -19.008 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.851 -4.440 -19.773 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.577 -6.100 -20.265 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.492 -5.297 -21.479 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.003 -3.657 -21.130 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.556 -5.751 -22.737 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.822 -4.288 -23.365 1.00 25.00 H new ATOM 0 HE ARG A 37 15.568 -2.965 -22.394 1.00 25.00 H new ATOM 0 HH11 ARG A 37 16.080 -6.429 -21.812 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.757 -6.175 -21.317 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.657 -2.735 -21.678 1.00 25.00 H new ATOM 0 HH22 ARG A 37 18.620 -4.151 -21.243 1.00 25.00 H new ATOM 588 N ASP A 38 14.401 -7.170 -17.733 1.00 25.00 N ATOM 589 CA ASP A 38 15.377 -7.829 -16.853 1.00 25.00 C ATOM 590 C ASP A 38 14.992 -7.550 -15.398 1.00 25.00 C ATOM 591 O ASP A 38 15.817 -7.238 -14.546 1.00 25.00 O ATOM 592 CB ASP A 38 16.807 -7.371 -17.195 1.00 25.00 C ATOM 593 CG ASP A 38 17.116 -7.474 -18.701 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.949 -6.669 -19.182 1.00 25.00 O ATOM 595 OD2 ASP A 38 16.470 -8.284 -19.427 1.00 25.00 O ATOM 0 H ASP A 38 13.947 -7.814 -18.380 1.00 25.00 H new ATOM 0 HA ASP A 38 15.362 -8.908 -17.004 1.00 25.00 H new ATOM 0 HB2 ASP A 38 16.942 -6.340 -16.870 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.522 -7.977 -16.639 1.00 25.00 H new ATOM 600 N THR A 39 13.690 -7.626 -15.155 1.00 25.00 N ATOM 601 CA THR A 39 13.066 -7.135 -13.918 1.00 25.00 C ATOM 602 C THR A 39 13.382 -7.960 -12.673 1.00 25.00 C ATOM 603 O THR A 39 13.243 -7.499 -11.548 1.00 25.00 O ATOM 604 CB THR A 39 11.520 -7.050 -14.129 1.00 25.00 C ATOM 605 OG1 THR A 39 10.890 -6.435 -13.007 1.00 25.00 O ATOM 606 CG2 THR A 39 10.901 -8.434 -14.328 1.00 25.00 C ATOM 0 H THR A 39 13.025 -8.033 -15.813 1.00 25.00 H new ATOM 0 HA THR A 39 13.495 -6.152 -13.725 1.00 25.00 H new ATOM 0 HB THR A 39 11.358 -6.452 -15.026 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.900 -5.461 -13.119 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.825 -8.334 -14.472 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.342 -8.907 -15.206 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.094 -9.049 -13.449 1.00 25.00 H new ATOM 614 N GLN A 40 13.877 -9.166 -12.885 1.00 25.00 N ATOM 615 CA GLN A 40 14.265 -10.045 -11.787 1.00 25.00 C ATOM 616 C GLN A 40 15.782 -10.218 -11.784 1.00 25.00 C ATOM 617 O GLN A 40 16.320 -11.083 -11.102 1.00 25.00 O ATOM 618 CB GLN A 40 13.576 -11.390 -11.978 1.00 25.00 C ATOM 619 CG GLN A 40 12.115 -11.402 -11.529 1.00 25.00 C ATOM 620 CD GLN A 40 11.507 -12.789 -11.586 1.00 25.00 C ATOM 621 OE1 GLN A 40 12.092 -13.710 -12.131 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.336 -12.941 -11.033 1.00 25.00 N ATOM 0 H GLN A 40 14.022 -9.565 -13.813 1.00 25.00 H new ATOM 0 HA GLN A 40 13.965 -9.615 -10.831 1.00 25.00 H new ATOM 0 HB2 GLN A 40 13.625 -11.667 -13.031 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.124 -12.151 -11.422 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.047 -11.020 -10.511 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.537 -10.728 -12.162 1.00 25.00 H new ATOM 0 HE21 GLN A 40 9.876 -12.148 -10.586 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.880 -13.853 -11.047 1.00 25.00 H new ATOM 631 N GLY A 41 16.463 -9.433 -12.608 1.00 25.00 N ATOM 632 CA GLY A 41 17.904 -9.574 -12.767 1.00 25.00 C ATOM 633 C GLY A 41 18.233 -10.673 -13.759 1.00 25.00 C ATOM 634 O GLY A 41 19.375 -10.833 -14.181 1.00 25.00 O ATOM 0 H GLY A 41 16.043 -8.696 -13.174 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.330 -8.631 -13.108 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.360 -9.800 -11.803 1.00 25.00 H new ATOM 638 N LEU A 42 17.215 -11.430 -14.142 1.00 25.00 N ATOM 639 CA LEU A 42 17.368 -12.495 -15.119 1.00 25.00 C ATOM 640 C LEU A 42 17.374 -11.865 -16.500 1.00 25.00 C ATOM 641 O LEU A 42 16.435 -11.152 -16.871 1.00 25.00 O ATOM 642 CB LEU A 42 16.207 -13.491 -15.020 1.00 25.00 C ATOM 643 CG LEU A 42 16.042 -14.261 -13.701 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.772 -15.102 -13.779 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.245 -15.165 -13.413 1.00 25.00 C ATOM 0 H LEU A 42 16.265 -11.323 -13.786 1.00 25.00 H new ATOM 0 HA LEU A 42 18.297 -13.034 -14.932 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.281 -12.948 -15.210 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.320 -14.220 -15.823 1.00 25.00 H new ATOM 0 HG LEU A 42 15.974 -13.539 -12.887 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.643 -15.654 -12.848 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.913 -14.450 -13.936 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.851 -15.804 -14.609 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.088 -15.691 -12.471 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.357 -15.890 -14.219 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.148 -14.558 -13.343 1.00 25.00 H new ATOM 657 N ASP A 43 18.422 -12.136 -17.260 1.00 25.00 N ATOM 658 CA ASP A 43 18.545 -11.600 -18.611 1.00 25.00 C ATOM 659 C ASP A 43 17.392 -12.094 -19.472 1.00 25.00 C ATOM 660 O ASP A 43 17.072 -13.287 -19.498 1.00 25.00 O ATOM 661 CB ASP A 43 19.872 -12.038 -19.241 1.00 25.00 C ATOM 662 CG ASP A 43 20.072 -11.468 -20.643 1.00 25.00 C ATOM 663 OD1 ASP A 43 20.764 -12.120 -21.453 1.00 25.00 O ATOM 664 OD2 ASP A 43 19.532 -10.378 -20.940 1.00 25.00 O ATOM 0 H ASP A 43 19.202 -12.724 -16.967 1.00 25.00 H new ATOM 0 HA ASP A 43 18.519 -10.512 -18.555 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.696 -11.720 -18.602 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.907 -13.126 -19.287 1.00 25.00 H new ATOM 669 N GLY A 44 16.760 -11.167 -20.171 1.00 25.00 N ATOM 670 CA GLY A 44 15.702 -11.518 -21.091 1.00 25.00 C ATOM 671 C GLY A 44 14.332 -11.692 -20.472 1.00 25.00 C ATOM 672 O GLY A 44 13.393 -11.963 -21.201 1.00 25.00 O ATOM 0 H GLY A 44 16.963 -10.169 -20.117 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.640 -10.746 -21.858 1.00 25.00 H new ATOM 0 HA3 GLY A 44 15.975 -12.446 -21.594 1.00 25.00 H new ATOM 676 N TRP A 45 14.175 -11.530 -19.167 1.00 25.00 N ATOM 677 CA TRP A 45 12.848 -11.655 -18.549 1.00 25.00 C ATOM 678 C TRP A 45 12.251 -10.278 -18.330 1.00 25.00 C ATOM 679 O TRP A 45 12.705 -9.512 -17.486 1.00 25.00 O ATOM 680 CB TRP A 45 12.931 -12.431 -17.245 1.00 25.00 C ATOM 681 CG TRP A 45 13.029 -13.901 -17.497 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.154 -14.635 -17.684 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.939 -14.837 -17.608 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.867 -15.952 -17.887 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.510 -16.122 -17.844 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.537 -14.722 -17.529 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.723 -17.284 -17.990 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.740 -15.888 -17.666 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.346 -17.158 -17.894 1.00 25.00 C ATOM 0 H TRP A 45 14.932 -11.315 -18.518 1.00 25.00 H new ATOM 0 HA TRP A 45 12.196 -12.212 -19.221 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.799 -12.098 -16.675 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.051 -12.221 -16.637 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.154 -14.227 -17.673 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.552 -16.691 -18.045 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.075 -13.759 -17.366 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.181 -18.245 -18.172 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.665 -15.813 -17.597 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.723 -18.035 -17.993 1.00 25.00 H new ATOM 700 N TRP A 46 11.284 -9.926 -19.160 1.00 25.00 N ATOM 701 CA TRP A 46 10.748 -8.574 -19.181 1.00 25.00 C ATOM 702 C TRP A 46 9.417 -8.512 -18.464 1.00 25.00 C ATOM 703 O TRP A 46 8.613 -9.431 -18.569 1.00 25.00 O ATOM 704 CB TRP A 46 10.569 -8.121 -20.630 1.00 25.00 C ATOM 705 CG TRP A 46 11.822 -8.240 -21.481 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.104 -8.446 -21.066 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.898 -8.178 -22.916 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.968 -8.517 -22.114 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.268 -8.357 -23.276 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.945 -8.006 -23.939 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.701 -8.361 -24.617 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.373 -8.018 -25.289 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.752 -8.191 -25.613 1.00 25.00 C ATOM 0 H TRP A 46 10.852 -10.560 -19.832 1.00 25.00 H new ATOM 0 HA TRP A 46 11.448 -7.914 -18.669 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.775 -8.712 -21.088 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.237 -7.083 -20.636 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.398 -8.541 -20.031 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.975 -8.666 -22.044 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.902 -7.867 -23.697 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.744 -8.493 -24.862 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.649 -7.895 -26.081 1.00 25.00 H new ATOM 0 HH2 TRP A 46 13.060 -8.189 -26.648 1.00 25.00 H new ATOM 724 N LEU A 47 9.168 -7.419 -17.762 1.00 25.00 N ATOM 725 CA LEU A 47 7.890 -7.229 -17.098 1.00 25.00 C ATOM 726 C LEU A 47 6.939 -6.673 -18.137 1.00 25.00 C ATOM 727 O LEU A 47 7.121 -5.553 -18.622 1.00 25.00 O ATOM 728 CB LEU A 47 8.016 -6.237 -15.939 1.00 25.00 C ATOM 729 CG LEU A 47 6.765 -6.054 -15.065 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.476 -7.304 -14.237 1.00 25.00 C ATOM 731 CD2 LEU A 47 6.968 -4.862 -14.137 1.00 25.00 C ATOM 0 H LEU A 47 9.830 -6.653 -17.638 1.00 25.00 H new ATOM 0 HA LEU A 47 7.533 -8.173 -16.686 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.837 -6.560 -15.299 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.294 -5.266 -16.348 1.00 25.00 H new ATOM 0 HG LEU A 47 5.912 -5.879 -15.721 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.585 -7.141 -13.631 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.312 -8.151 -14.903 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.325 -7.513 -13.586 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.082 -4.730 -13.516 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.835 -5.040 -13.500 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.133 -3.963 -14.731 1.00 25.00 H new ATOM 743 N CYS A 48 5.943 -7.454 -18.504 1.00 25.00 N ATOM 744 CA CYS A 48 4.959 -7.020 -19.478 1.00 25.00 C ATOM 745 C CYS A 48 3.629 -6.853 -18.777 1.00 25.00 C ATOM 746 O CYS A 48 3.441 -7.370 -17.684 1.00 25.00 O ATOM 747 CB CYS A 48 4.847 -8.046 -20.600 1.00 25.00 C ATOM 748 SG CYS A 48 6.424 -8.328 -21.429 1.00 25.00 S ATOM 0 H CYS A 48 5.793 -8.396 -18.142 1.00 25.00 H new ATOM 0 HA CYS A 48 5.262 -6.070 -19.918 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.480 -8.988 -20.193 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.112 -7.705 -21.329 1.00 25.00 H new ATOM 0 HG CYS A 48 6.227 -8.444 -22.709 1.00 25.00 H new ATOM 754 N SER A 49 2.709 -6.146 -19.410 1.00 25.00 N ATOM 755 CA SER A 49 1.368 -5.951 -18.874 1.00 25.00 C ATOM 756 C SER A 49 0.346 -6.435 -19.900 1.00 25.00 C ATOM 757 O SER A 49 0.453 -6.130 -21.096 1.00 25.00 O ATOM 758 CB SER A 49 1.153 -4.480 -18.522 1.00 25.00 C ATOM 759 OG SER A 49 1.535 -3.643 -19.604 1.00 25.00 O ATOM 0 H SER A 49 2.868 -5.691 -20.309 1.00 25.00 H new ATOM 0 HA SER A 49 1.243 -6.530 -17.959 1.00 25.00 H new ATOM 0 HB2 SER A 49 0.105 -4.309 -18.276 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.734 -4.225 -17.636 1.00 25.00 H new ATOM 0 HG SER A 49 1.388 -2.705 -19.360 1.00 25.00 H new ATOM 765 N LEU A 50 -0.590 -7.251 -19.429 1.00 25.00 N ATOM 766 CA LEU A 50 -1.598 -7.900 -20.271 1.00 25.00 C ATOM 767 C LEU A 50 -2.744 -8.385 -19.375 1.00 25.00 C ATOM 768 O LEU A 50 -2.500 -8.790 -18.249 1.00 25.00 O ATOM 769 CB LEU A 50 -0.963 -9.112 -20.967 1.00 25.00 C ATOM 770 CG LEU A 50 -1.840 -9.949 -21.910 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.270 -9.146 -23.128 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.064 -11.175 -22.344 1.00 25.00 C ATOM 0 H LEU A 50 -0.674 -7.486 -18.440 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.973 -7.199 -21.017 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.105 -8.756 -21.538 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.578 -9.776 -20.193 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.743 -10.246 -21.376 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.889 -9.768 -23.774 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.842 -8.275 -22.807 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.388 -8.818 -23.677 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.678 -11.776 -23.014 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.156 -10.866 -22.863 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -0.798 -11.766 -21.468 1.00 25.00 H new ATOM 784 N HIS A 51 -3.976 -8.366 -19.881 1.00 25.00 N ATOM 785 CA HIS A 51 -5.146 -8.916 -19.166 1.00 25.00 C ATOM 786 C HIS A 51 -5.382 -8.282 -17.777 1.00 25.00 C ATOM 787 O HIS A 51 -5.871 -8.930 -16.859 1.00 25.00 O ATOM 788 CB HIS A 51 -4.993 -10.446 -19.037 1.00 25.00 C ATOM 789 CG HIS A 51 -6.292 -11.191 -18.949 1.00 25.00 C ATOM 790 ND1 HIS A 51 -6.437 -12.519 -19.259 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.535 -10.782 -18.564 1.00 25.00 C ATOM 792 CE1 HIS A 51 -7.708 -12.857 -19.061 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.423 -11.837 -18.637 1.00 25.00 N ATOM 0 H HIS A 51 -4.200 -7.972 -20.795 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.025 -8.667 -19.760 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.432 -10.817 -19.895 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.400 -10.667 -18.149 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.788 -9.780 -18.249 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -8.105 -13.848 -19.228 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -9.418 -11.828 -18.411 1.00 25.00 H new ATOM 801 N GLY A 52 -5.015 -7.016 -17.623 1.00 25.00 N ATOM 802 CA GLY A 52 -5.199 -6.337 -16.344 1.00 25.00 C ATOM 803 C GLY A 52 -4.198 -6.771 -15.288 1.00 25.00 C ATOM 804 O GLY A 52 -4.345 -6.459 -14.113 1.00 25.00 O ATOM 0 H GLY A 52 -4.594 -6.444 -18.355 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.114 -5.261 -16.496 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.208 -6.529 -15.980 1.00 25.00 H new ATOM 808 N ARG A 53 -3.177 -7.500 -15.717 1.00 25.00 N ATOM 809 CA ARG A 53 -2.117 -7.990 -14.842 1.00 25.00 C ATOM 810 C ARG A 53 -0.805 -7.510 -15.409 1.00 25.00 C ATOM 811 O ARG A 53 -0.732 -7.141 -16.577 1.00 25.00 O ATOM 812 CB ARG A 53 -2.081 -9.521 -14.820 1.00 25.00 C ATOM 813 CG ARG A 53 -3.350 -10.192 -14.346 1.00 25.00 C ATOM 814 CD ARG A 53 -3.084 -11.678 -14.180 1.00 25.00 C ATOM 815 NE ARG A 53 -4.304 -12.435 -13.861 1.00 25.00 N ATOM 816 CZ ARG A 53 -4.335 -13.718 -13.515 1.00 25.00 C ATOM 817 NH1 ARG A 53 -3.245 -14.442 -13.407 1.00 25.00 N ATOM 818 NH2 ARG A 53 -5.485 -14.282 -13.273 1.00 25.00 N ATOM 0 H ARG A 53 -3.059 -7.772 -16.693 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.293 -7.626 -13.830 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.856 -9.877 -15.825 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.260 -9.839 -14.178 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.676 -9.759 -13.400 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.154 -10.030 -15.064 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -2.646 -12.070 -15.098 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -2.350 -11.826 -13.388 1.00 25.00 H new ATOM 0 HE ARG A 53 -5.193 -11.938 -13.909 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -2.334 -14.022 -13.591 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -3.310 -15.424 -13.139 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -6.345 -13.740 -13.350 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -5.525 -15.266 -13.006 1.00 25.00 H new ATOM 832 N GLN A 54 0.242 -7.594 -14.614 1.00 25.00 N ATOM 833 CA GLN A 54 1.591 -7.432 -15.117 1.00 25.00 C ATOM 834 C GLN A 54 2.310 -8.659 -14.598 1.00 25.00 C ATOM 835 O GLN A 54 1.884 -9.232 -13.598 1.00 25.00 O ATOM 836 CB GLN A 54 2.236 -6.124 -14.642 1.00 25.00 C ATOM 837 CG GLN A 54 2.324 -5.976 -13.132 1.00 25.00 C ATOM 838 CD GLN A 54 2.967 -4.672 -12.720 1.00 25.00 C ATOM 839 OE1 GLN A 54 2.582 -3.609 -13.176 1.00 25.00 O ATOM 840 NE2 GLN A 54 3.939 -4.747 -11.850 1.00 25.00 N ATOM 0 H GLN A 54 0.184 -7.774 -13.612 1.00 25.00 H new ATOM 0 HA GLN A 54 1.630 -7.356 -16.204 1.00 25.00 H new ATOM 0 HB2 GLN A 54 3.240 -6.056 -15.060 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.666 -5.286 -15.044 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.323 -6.036 -12.704 1.00 25.00 H new ATOM 0 HG3 GLN A 54 2.897 -6.807 -12.720 1.00 25.00 H new ATOM 0 HE21 GLN A 54 4.233 -5.655 -11.491 1.00 25.00 H new ATOM 0 HE22 GLN A 54 4.403 -3.897 -11.530 1.00 25.00 H new ATOM 849 N GLY A 55 3.341 -9.095 -15.297 1.00 25.00 N ATOM 850 CA GLY A 55 4.057 -10.294 -14.905 1.00 25.00 C ATOM 851 C GLY A 55 5.249 -10.508 -15.804 1.00 25.00 C ATOM 852 O GLY A 55 5.380 -9.836 -16.838 1.00 25.00 O ATOM 0 H GLY A 55 3.700 -8.639 -16.136 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.385 -10.208 -13.869 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.393 -11.157 -14.959 1.00 25.00 H new ATOM 856 N ILE A 56 6.138 -11.403 -15.410 1.00 25.00 N ATOM 857 CA ILE A 56 7.355 -11.652 -16.168 1.00 25.00 C ATOM 858 C ILE A 56 7.047 -12.472 -17.422 1.00 25.00 C ATOM 859 O ILE A 56 6.155 -13.329 -17.432 1.00 25.00 O ATOM 860 CB ILE A 56 8.454 -12.343 -15.288 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.063 -13.791 -14.914 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.696 -11.504 -14.011 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.151 -14.582 -14.184 1.00 25.00 C ATOM 0 H ILE A 56 6.041 -11.971 -14.568 1.00 25.00 H new ATOM 0 HA ILE A 56 7.758 -10.689 -16.481 1.00 25.00 H new ATOM 0 HB ILE A 56 9.373 -12.396 -15.872 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.172 -13.761 -14.286 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.794 -14.326 -15.825 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.460 -11.984 -13.399 1.00 25.00 H new ATOM 0 HG22 ILE A 56 9.030 -10.505 -14.290 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.769 -11.431 -13.442 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.786 -15.585 -13.963 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.037 -14.649 -14.815 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.406 -14.076 -13.253 1.00 25.00 H new ATOM 875 N VAL A 57 7.757 -12.156 -18.494 1.00 25.00 N ATOM 876 CA VAL A 57 7.594 -12.820 -19.784 1.00 25.00 C ATOM 877 C VAL A 57 8.978 -12.979 -20.410 1.00 25.00 C ATOM 878 O VAL A 57 9.749 -12.013 -20.458 1.00 25.00 O ATOM 879 CB VAL A 57 6.724 -11.954 -20.750 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.680 -12.560 -22.151 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.310 -11.798 -20.208 1.00 25.00 C ATOM 0 H VAL A 57 8.469 -11.426 -18.496 1.00 25.00 H new ATOM 0 HA VAL A 57 7.104 -13.782 -19.630 1.00 25.00 H new ATOM 0 HB VAL A 57 7.188 -10.970 -20.816 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.067 -11.934 -22.799 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.691 -12.619 -22.554 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.251 -13.561 -22.101 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.721 -11.191 -20.896 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.849 -12.780 -20.105 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.345 -11.310 -19.234 1.00 25.00 H new ATOM 891 N PRO A 58 9.317 -14.180 -20.916 1.00 25.00 N ATOM 892 CA PRO A 58 10.626 -14.233 -21.573 1.00 25.00 C ATOM 893 C PRO A 58 10.617 -13.492 -22.923 1.00 25.00 C ATOM 894 O PRO A 58 9.868 -13.832 -23.843 1.00 25.00 O ATOM 895 CB PRO A 58 10.864 -15.734 -21.737 1.00 25.00 C ATOM 896 CG PRO A 58 9.497 -16.311 -21.859 1.00 25.00 C ATOM 897 CD PRO A 58 8.619 -15.480 -20.970 1.00 25.00 C ATOM 0 HA PRO A 58 11.415 -13.740 -21.005 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.466 -15.947 -22.620 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.396 -16.149 -20.881 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.150 -16.278 -22.892 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.486 -17.357 -21.552 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.614 -15.379 -21.379 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.517 -15.923 -19.979 1.00 25.00 H new ATOM 905 N GLY A 59 11.468 -12.483 -23.031 1.00 25.00 N ATOM 906 CA GLY A 59 11.557 -11.641 -24.215 1.00 25.00 C ATOM 907 C GLY A 59 11.895 -12.385 -25.486 1.00 25.00 C ATOM 908 O GLY A 59 11.521 -11.972 -26.573 1.00 25.00 O ATOM 0 H GLY A 59 12.122 -12.223 -22.293 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.606 -11.126 -24.352 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.313 -10.875 -24.045 1.00 25.00 H new ATOM 912 N ASN A 60 12.567 -13.520 -25.352 1.00 25.00 N ATOM 913 CA ASN A 60 12.905 -14.356 -26.507 1.00 25.00 C ATOM 914 C ASN A 60 11.645 -14.897 -27.204 1.00 25.00 C ATOM 915 O ASN A 60 11.667 -15.236 -28.383 1.00 25.00 O ATOM 916 CB ASN A 60 13.788 -15.525 -26.058 1.00 25.00 C ATOM 917 CG ASN A 60 14.389 -16.278 -27.223 1.00 25.00 C ATOM 918 OD1 ASN A 60 14.792 -15.693 -28.211 1.00 25.00 O ATOM 919 ND2 ASN A 60 14.457 -17.576 -27.106 1.00 25.00 N ATOM 0 H ASN A 60 12.891 -13.887 -24.457 1.00 25.00 H new ATOM 0 HA ASN A 60 13.445 -13.736 -27.223 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.589 -15.148 -25.422 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.196 -16.211 -25.452 1.00 25.00 H new ATOM 0 HD21 ASN A 60 14.859 -18.136 -27.858 1.00 25.00 H new ATOM 0 HD22 ASN A 60 14.109 -18.031 -26.262 1.00 25.00 H new ATOM 926 N ARG A 61 10.534 -14.965 -26.477 1.00 25.00 N ATOM 927 CA ARG A 61 9.270 -15.425 -27.060 1.00 25.00 C ATOM 928 C ARG A 61 8.448 -14.263 -27.612 1.00 25.00 C ATOM 929 O ARG A 61 7.308 -14.462 -28.032 1.00 25.00 O ATOM 930 CB ARG A 61 8.430 -16.180 -26.020 1.00 25.00 C ATOM 931 CG ARG A 61 9.066 -17.477 -25.530 1.00 25.00 C ATOM 932 CD ARG A 61 8.029 -18.324 -24.784 1.00 25.00 C ATOM 933 NE ARG A 61 8.612 -19.521 -24.150 1.00 25.00 N ATOM 934 CZ ARG A 61 8.869 -20.675 -24.759 1.00 25.00 C ATOM 935 NH1 ARG A 61 8.651 -20.865 -26.040 1.00 25.00 N ATOM 936 NH2 ARG A 61 9.357 -21.662 -24.061 1.00 25.00 N ATOM 0 H ARG A 61 10.479 -14.711 -25.491 1.00 25.00 H new ATOM 0 HA ARG A 61 9.527 -16.095 -27.880 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.257 -15.527 -25.165 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.455 -16.406 -26.451 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.464 -18.038 -26.376 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.906 -17.253 -24.872 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.550 -17.712 -24.020 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.250 -18.632 -25.481 1.00 25.00 H new ATOM 0 HE ARG A 61 8.838 -19.458 -23.157 1.00 25.00 H new ATOM 0 HH11 ARG A 61 8.269 -20.110 -26.610 1.00 25.00 H new ATOM 0 HH12 ARG A 61 8.863 -21.768 -26.465 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.536 -21.542 -23.064 1.00 25.00 H new ATOM 0 HH22 ARG A 61 9.560 -22.554 -24.512 1.00 25.00 H new ATOM 950 N LEU A 62 9.005 -13.062 -27.600 1.00 25.00 N ATOM 951 CA LEU A 62 8.295 -11.865 -28.052 1.00 25.00 C ATOM 952 C LEU A 62 8.950 -11.262 -29.287 1.00 25.00 C ATOM 953 O LEU A 62 10.142 -11.421 -29.524 1.00 25.00 O ATOM 954 CB LEU A 62 8.291 -10.800 -26.943 1.00 25.00 C ATOM 955 CG LEU A 62 7.590 -11.138 -25.617 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.746 -9.963 -24.645 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.110 -11.428 -25.844 1.00 25.00 C ATOM 0 H LEU A 62 9.957 -12.885 -27.279 1.00 25.00 H new ATOM 0 HA LEU A 62 7.277 -12.167 -28.296 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.328 -10.549 -26.718 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.826 -9.900 -27.346 1.00 25.00 H new ATOM 0 HG LEU A 62 8.052 -12.030 -25.194 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.250 -10.201 -23.704 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.805 -9.781 -24.461 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.295 -9.070 -25.078 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.635 -11.665 -24.892 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.630 -10.552 -26.281 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.005 -12.275 -26.522 1.00 25.00 H new ATOM 969 N LYS A 63 8.164 -10.516 -30.048 1.00 25.00 N ATOM 970 CA LYS A 63 8.670 -9.771 -31.197 1.00 25.00 C ATOM 971 C LYS A 63 8.328 -8.308 -30.994 1.00 25.00 C ATOM 972 O LYS A 63 7.155 -7.954 -30.917 1.00 25.00 O ATOM 973 CB LYS A 63 8.023 -10.290 -32.484 1.00 25.00 C ATOM 974 CG LYS A 63 8.736 -9.868 -33.767 1.00 25.00 C ATOM 975 CD LYS A 63 10.022 -10.675 -33.974 1.00 25.00 C ATOM 976 CE LYS A 63 10.718 -10.286 -35.272 1.00 25.00 C ATOM 977 NZ LYS A 63 11.939 -11.139 -35.507 1.00 25.00 N ATOM 0 H LYS A 63 7.162 -10.408 -29.890 1.00 25.00 H new ATOM 0 HA LYS A 63 9.749 -9.897 -31.284 1.00 25.00 H new ATOM 0 HB2 LYS A 63 7.988 -11.379 -32.444 1.00 25.00 H new ATOM 0 HB3 LYS A 63 6.992 -9.939 -32.524 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.072 -10.011 -34.620 1.00 25.00 H new ATOM 0 HG3 LYS A 63 8.973 -8.805 -33.722 1.00 25.00 H new ATOM 0 HD2 LYS A 63 10.696 -10.510 -33.134 1.00 25.00 H new ATOM 0 HD3 LYS A 63 9.787 -11.739 -33.990 1.00 25.00 H new ATOM 0 HE2 LYS A 63 10.026 -10.397 -36.107 1.00 25.00 H new ATOM 0 HE3 LYS A 63 11.006 -9.235 -35.234 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 12.395 -10.854 -36.397 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 12.607 -11.013 -34.720 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 11.658 -12.139 -35.566 1.00 25.00 H new ATOM 991 N ILE A 64 9.350 -7.472 -30.899 1.00 25.00 N ATOM 992 CA ILE A 64 9.164 -6.031 -30.725 1.00 25.00 C ATOM 993 C ILE A 64 8.435 -5.500 -31.957 1.00 25.00 C ATOM 994 O ILE A 64 8.784 -5.849 -33.091 1.00 25.00 O ATOM 995 CB ILE A 64 10.542 -5.305 -30.558 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.305 -5.844 -29.323 1.00 25.00 C ATOM 997 CG2 ILE A 64 10.360 -3.773 -30.441 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.607 -5.623 -27.953 1.00 25.00 C ATOM 0 H ILE A 64 10.326 -7.765 -30.939 1.00 25.00 H new ATOM 0 HA ILE A 64 8.582 -5.840 -29.824 1.00 25.00 H new ATOM 0 HB ILE A 64 11.130 -5.513 -31.452 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.470 -6.913 -29.458 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.287 -5.372 -29.291 1.00 25.00 H new ATOM 0 HG21 ILE A 64 11.335 -3.299 -30.326 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.876 -3.394 -31.341 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.741 -3.545 -29.573 1.00 25.00 H new ATOM 0 HD11 ILE A 64 11.226 -6.038 -27.158 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.467 -4.555 -27.784 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.637 -6.120 -27.954 1.00 25.00 H new ATOM 1010 N LEU A 65 7.402 -4.702 -31.726 1.00 25.00 N ATOM 1011 CA LEU A 65 6.585 -4.143 -32.799 1.00 25.00 C ATOM 1012 C LEU A 65 7.154 -2.796 -33.255 1.00 25.00 C ATOM 1013 O LEU A 65 8.303 -2.466 -32.964 1.00 25.00 O ATOM 1014 CB LEU A 65 5.136 -3.991 -32.307 1.00 25.00 C ATOM 1015 CG LEU A 65 4.424 -5.322 -32.016 1.00 25.00 C ATOM 1016 CD1 LEU A 65 3.115 -5.059 -31.299 1.00 25.00 C ATOM 1017 CD2 LEU A 65 4.157 -6.094 -33.319 1.00 25.00 C ATOM 0 H LEU A 65 7.105 -4.423 -30.791 1.00 25.00 H new ATOM 0 HA LEU A 65 6.598 -4.817 -33.656 1.00 25.00 H new ATOM 0 HB2 LEU A 65 5.134 -3.386 -31.401 1.00 25.00 H new ATOM 0 HB3 LEU A 65 4.565 -3.444 -33.057 1.00 25.00 H new ATOM 0 HG LEU A 65 5.071 -5.927 -31.381 1.00 25.00 H new ATOM 0 HD11 LEU A 65 2.615 -6.006 -31.095 1.00 25.00 H new ATOM 0 HD12 LEU A 65 3.312 -4.543 -30.359 1.00 25.00 H new ATOM 0 HD13 LEU A 65 2.475 -4.438 -31.926 1.00 25.00 H new ATOM 0 HD21 LEU A 65 3.653 -7.032 -33.089 1.00 25.00 H new ATOM 0 HD22 LEU A 65 3.526 -5.494 -33.975 1.00 25.00 H new ATOM 0 HD23 LEU A 65 5.103 -6.303 -33.818 1.00 25.00 H new ATOM 1029 N VAL A 66 6.356 -2.042 -33.997 1.00 25.00 N ATOM 1030 CA VAL A 66 6.765 -0.731 -34.490 1.00 25.00 C ATOM 1031 C VAL A 66 7.058 0.198 -33.302 1.00 25.00 C ATOM 1032 O VAL A 66 6.402 0.131 -32.262 1.00 25.00 O ATOM 1033 CB VAL A 66 5.673 -0.136 -35.454 1.00 25.00 C ATOM 1034 CG1 VAL A 66 4.356 0.158 -34.713 1.00 25.00 C ATOM 1035 CG2 VAL A 66 6.184 1.126 -36.162 1.00 25.00 C ATOM 0 H VAL A 66 5.414 -2.317 -34.274 1.00 25.00 H new ATOM 0 HA VAL A 66 7.681 -0.830 -35.073 1.00 25.00 H new ATOM 0 HB VAL A 66 5.468 -0.895 -36.209 1.00 25.00 H new ATOM 0 HG11 VAL A 66 3.628 0.568 -35.413 1.00 25.00 H new ATOM 0 HG12 VAL A 66 3.967 -0.765 -34.283 1.00 25.00 H new ATOM 0 HG13 VAL A 66 4.540 0.880 -33.917 1.00 25.00 H new ATOM 0 HG21 VAL A 66 5.407 1.513 -36.821 1.00 25.00 H new ATOM 0 HG22 VAL A 66 6.440 1.882 -35.419 1.00 25.00 H new ATOM 0 HG23 VAL A 66 7.069 0.881 -36.749 1.00 25.00 H new ATOM 1045 N GLY A 67 8.070 1.035 -33.456 1.00 25.00 N ATOM 1046 CA GLY A 67 8.487 1.944 -32.408 1.00 25.00 C ATOM 1047 C GLY A 67 9.634 2.746 -32.975 1.00 25.00 C ATOM 1048 O GLY A 67 9.954 2.582 -34.150 1.00 25.00 O ATOM 0 H GLY A 67 8.623 1.102 -34.310 1.00 25.00 H new ATOM 0 HA2 GLY A 67 7.666 2.596 -32.110 1.00 25.00 H new ATOM 0 HA3 GLY A 67 8.798 1.396 -31.519 1.00 25.00 H new ATOM 1052 N MET A 68 10.254 3.600 -32.175 1.00 25.00 N ATOM 1053 CA MET A 68 11.389 4.385 -32.651 1.00 25.00 C ATOM 1054 C MET A 68 12.666 3.558 -32.577 1.00 25.00 C ATOM 1055 O MET A 68 13.004 3.013 -31.527 1.00 25.00 O ATOM 1056 CB MET A 68 11.565 5.651 -31.811 1.00 25.00 C ATOM 1057 CG MET A 68 10.425 6.642 -31.960 1.00 25.00 C ATOM 1058 SD MET A 68 10.746 8.139 -31.010 1.00 25.00 S ATOM 1059 CE MET A 68 9.290 9.120 -31.391 1.00 25.00 C ATOM 0 H MET A 68 9.996 3.768 -31.203 1.00 25.00 H new ATOM 0 HA MET A 68 11.192 4.668 -33.685 1.00 25.00 H new ATOM 0 HB2 MET A 68 11.657 5.371 -30.762 1.00 25.00 H new ATOM 0 HB3 MET A 68 12.498 6.138 -32.094 1.00 25.00 H new ATOM 0 HG2 MET A 68 10.293 6.895 -33.012 1.00 25.00 H new ATOM 0 HG3 MET A 68 9.494 6.185 -31.623 1.00 25.00 H new ATOM 0 HE1 MET A 68 9.350 10.076 -30.872 1.00 25.00 H new ATOM 0 HE2 MET A 68 9.239 9.293 -32.466 1.00 25.00 H new ATOM 0 HE3 MET A 68 8.397 8.586 -31.067 1.00 25.00 H new ATOM 1069 N TYR A 69 13.369 3.482 -33.695 1.00 25.00 N ATOM 1070 CA TYR A 69 14.661 2.813 -33.786 1.00 25.00 C ATOM 1071 C TYR A 69 15.264 3.273 -35.103 1.00 25.00 C ATOM 1072 O TYR A 69 14.527 3.579 -36.032 1.00 25.00 O ATOM 1073 CB TYR A 69 14.505 1.281 -33.776 1.00 25.00 C ATOM 1074 CG TYR A 69 13.226 0.762 -34.425 1.00 25.00 C ATOM 1075 CD1 TYR A 69 12.243 0.104 -33.651 1.00 25.00 C ATOM 1076 CD2 TYR A 69 12.994 0.910 -35.810 1.00 25.00 C ATOM 1077 CE1 TYR A 69 11.055 -0.399 -34.256 1.00 25.00 C ATOM 1078 CE2 TYR A 69 11.808 0.422 -36.409 1.00 25.00 C ATOM 1079 CZ TYR A 69 10.852 -0.226 -35.629 1.00 25.00 C ATOM 1080 OH TYR A 69 9.717 -0.699 -36.228 1.00 25.00 O ATOM 0 H TYR A 69 13.057 3.888 -34.577 1.00 25.00 H new ATOM 0 HA TYR A 69 15.293 3.062 -32.933 1.00 25.00 H new ATOM 0 HB2 TYR A 69 15.360 0.840 -34.288 1.00 25.00 H new ATOM 0 HB3 TYR A 69 14.538 0.934 -32.743 1.00 25.00 H new ATOM 0 HD1 TYR A 69 12.394 -0.019 -32.589 1.00 25.00 H new ATOM 0 HD2 TYR A 69 13.734 1.404 -36.423 1.00 25.00 H new ATOM 0 HE1 TYR A 69 10.316 -0.911 -33.658 1.00 25.00 H new ATOM 0 HE2 TYR A 69 11.644 0.552 -37.469 1.00 25.00 H new ATOM 0 HH TYR A 69 9.741 -0.490 -37.185 1.00 25.00 H new ATOM 1090 N ASP A 70 16.583 3.326 -35.191 1.00 25.00 N ATOM 1091 CA ASP A 70 17.241 3.743 -36.430 1.00 25.00 C ATOM 1092 C ASP A 70 17.126 2.635 -37.470 1.00 25.00 C ATOM 1093 O ASP A 70 16.801 2.877 -38.631 1.00 25.00 O ATOM 1094 CB ASP A 70 18.719 4.030 -36.160 1.00 25.00 C ATOM 1095 CG ASP A 70 18.921 4.884 -34.932 1.00 25.00 C ATOM 1096 OD1 ASP A 70 18.942 6.123 -35.044 1.00 25.00 O ATOM 1097 OD2 ASP A 70 18.990 4.293 -33.827 1.00 25.00 O ATOM 0 H ASP A 70 17.219 3.089 -34.430 1.00 25.00 H new ATOM 0 HA ASP A 70 16.758 4.646 -36.803 1.00 25.00 H new ATOM 0 HB2 ASP A 70 19.253 3.088 -36.037 1.00 25.00 H new ATOM 0 HB3 ASP A 70 19.153 4.532 -37.025 1.00 25.00 H new ATOM 1102 N LYS A 71 17.375 1.406 -37.010 1.00 25.00 N ATOM 1103 CA LYS A 71 17.338 0.201 -37.857 1.00 25.00 C ATOM 1104 C LYS A 71 18.281 0.359 -39.057 1.00 25.00 C ATOM 1105 O LYS A 71 19.158 1.211 -39.070 1.00 25.00 O ATOM 1106 CB LYS A 71 15.889 -0.063 -38.324 1.00 25.00 C ATOM 1107 CG LYS A 71 15.391 -1.495 -38.113 1.00 25.00 C ATOM 1108 CD LYS A 71 15.119 -1.784 -36.635 1.00 25.00 C ATOM 1109 CE LYS A 71 13.822 -2.579 -36.462 1.00 25.00 C ATOM 1110 NZ LYS A 71 13.399 -2.643 -35.019 1.00 25.00 N ATOM 0 H LYS A 71 17.609 1.213 -36.036 1.00 25.00 H new ATOM 0 HA LYS A 71 17.678 -0.656 -37.275 1.00 25.00 H new ATOM 0 HB2 LYS A 71 15.223 0.619 -37.795 1.00 25.00 H new ATOM 0 HB3 LYS A 71 15.815 0.178 -39.384 1.00 25.00 H new ATOM 0 HG2 LYS A 71 14.479 -1.652 -38.689 1.00 25.00 H new ATOM 0 HG3 LYS A 71 16.133 -2.198 -38.492 1.00 25.00 H new ATOM 0 HD2 LYS A 71 15.952 -2.344 -36.211 1.00 25.00 H new ATOM 0 HD3 LYS A 71 15.051 -0.846 -36.084 1.00 25.00 H new ATOM 0 HE2 LYS A 71 13.031 -2.118 -37.053 1.00 25.00 H new ATOM 0 HE3 LYS A 71 13.960 -3.590 -36.846 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 12.742 -3.438 -34.885 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 14.236 -2.780 -34.418 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 12.925 -1.755 -34.756 1.00 25.00 H new ATOM 1124 N LYS A 72 18.133 -0.520 -40.033 1.00 25.00 N ATOM 1125 CA LYS A 72 18.804 -0.377 -41.320 1.00 25.00 C ATOM 1126 C LYS A 72 17.661 -0.360 -42.325 1.00 25.00 C ATOM 1127 O LYS A 72 16.581 -0.876 -42.006 1.00 25.00 O ATOM 1128 CB LYS A 72 19.793 -1.523 -41.558 1.00 25.00 C ATOM 1129 CG LYS A 72 19.158 -2.899 -41.677 1.00 25.00 C ATOM 1130 CD LYS A 72 20.237 -3.948 -41.810 1.00 25.00 C ATOM 1131 CE LYS A 72 19.643 -5.310 -42.147 1.00 25.00 C ATOM 1132 NZ LYS A 72 20.723 -6.339 -42.349 1.00 25.00 N ATOM 0 H LYS A 72 17.547 -1.352 -39.959 1.00 25.00 H new ATOM 0 HA LYS A 72 19.414 0.523 -41.392 1.00 25.00 H new ATOM 0 HB2 LYS A 72 20.353 -1.317 -42.470 1.00 25.00 H new ATOM 0 HB3 LYS A 72 20.512 -1.540 -40.739 1.00 25.00 H new ATOM 0 HG2 LYS A 72 18.544 -3.104 -40.800 1.00 25.00 H new ATOM 0 HG3 LYS A 72 18.497 -2.931 -42.543 1.00 25.00 H new ATOM 0 HD2 LYS A 72 20.941 -3.653 -42.588 1.00 25.00 H new ATOM 0 HD3 LYS A 72 20.800 -4.014 -40.879 1.00 25.00 H new ATOM 0 HE2 LYS A 72 18.979 -5.629 -41.344 1.00 25.00 H new ATOM 0 HE3 LYS A 72 19.037 -5.232 -43.050 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 20.290 -7.257 -42.577 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 21.342 -6.044 -43.131 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 21.285 -6.428 -41.478 1.00 25.00 H new ATOM 1146 N PRO A 73 17.866 0.190 -43.535 1.00 25.00 N ATOM 1147 CA PRO A 73 16.741 0.097 -44.474 1.00 25.00 C ATOM 1148 C PRO A 73 16.461 -1.357 -44.860 1.00 25.00 C ATOM 1149 O PRO A 73 17.373 -2.191 -44.892 1.00 25.00 O ATOM 1150 CB PRO A 73 17.221 0.923 -45.672 1.00 25.00 C ATOM 1151 CG PRO A 73 18.705 0.816 -45.620 1.00 25.00 C ATOM 1152 CD PRO A 73 19.027 0.864 -44.149 1.00 25.00 C ATOM 0 HA PRO A 73 15.801 0.462 -44.060 1.00 25.00 H new ATOM 0 HB2 PRO A 73 16.826 0.531 -46.609 1.00 25.00 H new ATOM 0 HB3 PRO A 73 16.894 1.960 -45.597 1.00 25.00 H new ATOM 0 HG2 PRO A 73 19.054 -0.112 -46.074 1.00 25.00 H new ATOM 0 HG3 PRO A 73 19.183 1.634 -46.159 1.00 25.00 H new ATOM 0 HD2 PRO A 73 19.960 0.348 -43.923 1.00 25.00 H new ATOM 0 HD3 PRO A 73 19.135 1.888 -43.792 1.00 25.00 H new ATOM 1160 N ALA A 74 15.194 -1.663 -45.103 1.00 25.00 N ATOM 1161 CA ALA A 74 14.755 -3.017 -45.420 1.00 25.00 C ATOM 1162 C ALA A 74 13.397 -2.914 -46.117 1.00 25.00 C ATOM 1163 O ALA A 74 12.807 -1.838 -46.162 1.00 25.00 O ATOM 1164 CB ALA A 74 14.632 -3.850 -44.125 1.00 25.00 C ATOM 0 H ALA A 74 14.439 -0.978 -45.086 1.00 25.00 H new ATOM 0 HA ALA A 74 15.477 -3.512 -46.070 1.00 25.00 H new ATOM 0 HB1 ALA A 74 14.304 -4.860 -44.372 1.00 25.00 H new ATOM 0 HB2 ALA A 74 15.601 -3.895 -43.628 1.00 25.00 H new ATOM 0 HB3 ALA A 74 13.904 -3.384 -43.460 1.00 25.00 H new ATOM 1170 N GLY A 75 12.903 -4.039 -46.609 1.00 25.00 N ATOM 1171 CA GLY A 75 11.596 -4.102 -47.245 1.00 25.00 C ATOM 1172 C GLY A 75 11.132 -5.538 -47.166 1.00 25.00 C ATOM 1173 O GLY A 75 11.077 -6.092 -46.075 1.00 25.00 O ATOM 0 H GLY A 75 13.395 -4.932 -46.579 1.00 25.00 H new ATOM 0 HA2 GLY A 75 10.890 -3.441 -46.742 1.00 25.00 H new ATOM 0 HA3 GLY A 75 11.656 -3.773 -48.282 1.00 25.00 H new ATOM 1177 N GLU A 76 10.898 -6.152 -48.322 1.00 25.00 N ATOM 1178 CA GLU A 76 10.598 -7.592 -48.422 1.00 25.00 C ATOM 1179 C GLU A 76 9.341 -8.020 -47.638 1.00 25.00 C ATOM 1180 O GLU A 76 9.337 -9.003 -46.903 1.00 25.00 O ATOM 1181 CB GLU A 76 11.842 -8.401 -48.002 1.00 25.00 C ATOM 1182 CG GLU A 76 11.948 -9.787 -48.631 1.00 25.00 C ATOM 1183 CD GLU A 76 13.235 -10.494 -48.221 1.00 25.00 C ATOM 1184 OE1 GLU A 76 14.325 -9.913 -48.431 1.00 25.00 O ATOM 1185 OE2 GLU A 76 13.163 -11.618 -47.679 1.00 25.00 O ATOM 0 H GLU A 76 10.909 -5.672 -49.222 1.00 25.00 H new ATOM 0 HA GLU A 76 10.359 -7.806 -49.464 1.00 25.00 H new ATOM 0 HB2 GLU A 76 12.734 -7.830 -48.262 1.00 25.00 H new ATOM 0 HB3 GLU A 76 11.838 -8.509 -46.917 1.00 25.00 H new ATOM 0 HG2 GLU A 76 11.090 -10.389 -48.332 1.00 25.00 H new ATOM 0 HG3 GLU A 76 11.911 -9.698 -49.717 1.00 25.00 H new ATOM 1192 N PHE A 77 8.254 -7.290 -47.842 1.00 25.00 N ATOM 1193 CA PHE A 77 6.963 -7.647 -47.261 1.00 25.00 C ATOM 1194 C PHE A 77 5.874 -7.183 -48.218 1.00 25.00 C ATOM 1195 O PHE A 77 6.127 -6.346 -49.083 1.00 25.00 O ATOM 1196 CB PHE A 77 6.773 -6.990 -45.883 1.00 25.00 C ATOM 1197 CG PHE A 77 6.712 -5.482 -45.929 1.00 25.00 C ATOM 1198 CD1 PHE A 77 5.485 -4.818 -46.136 1.00 25.00 C ATOM 1199 CD2 PHE A 77 7.882 -4.716 -45.763 1.00 25.00 C ATOM 1200 CE1 PHE A 77 5.427 -3.403 -46.190 1.00 25.00 C ATOM 1201 CE2 PHE A 77 7.837 -3.300 -45.816 1.00 25.00 C ATOM 1202 CZ PHE A 77 6.607 -2.643 -46.036 1.00 25.00 C ATOM 0 H PHE A 77 8.238 -6.442 -48.408 1.00 25.00 H new ATOM 0 HA PHE A 77 6.913 -8.726 -47.116 1.00 25.00 H new ATOM 0 HB2 PHE A 77 5.854 -7.368 -45.435 1.00 25.00 H new ATOM 0 HB3 PHE A 77 7.593 -7.291 -45.231 1.00 25.00 H new ATOM 0 HD1 PHE A 77 4.579 -5.394 -46.255 1.00 25.00 H new ATOM 0 HD2 PHE A 77 8.825 -5.214 -45.593 1.00 25.00 H new ATOM 0 HE1 PHE A 77 4.481 -2.906 -46.349 1.00 25.00 H new ATOM 0 HE2 PHE A 77 8.742 -2.725 -45.688 1.00 25.00 H new ATOM 0 HZ PHE A 77 6.569 -1.565 -46.086 1.00 25.00 H new ATOM 1212 N ILE A 78 4.670 -7.713 -48.045 1.00 25.00 N ATOM 1213 CA ILE A 78 3.500 -7.309 -48.818 1.00 25.00 C ATOM 1214 C ILE A 78 2.342 -7.272 -47.826 1.00 25.00 C ATOM 1215 O ILE A 78 2.431 -7.886 -46.759 1.00 25.00 O ATOM 1216 CB ILE A 78 3.178 -8.305 -49.985 1.00 25.00 C ATOM 1217 CG1 ILE A 78 2.982 -9.743 -49.449 1.00 25.00 C ATOM 1218 CG2 ILE A 78 4.303 -8.269 -51.053 1.00 25.00 C ATOM 1219 CD1 ILE A 78 2.418 -10.733 -50.484 1.00 25.00 C ATOM 0 H ILE A 78 4.475 -8.442 -47.359 1.00 25.00 H new ATOM 0 HA ILE A 78 3.677 -6.343 -49.292 1.00 25.00 H new ATOM 0 HB ILE A 78 2.245 -7.990 -50.452 1.00 25.00 H new ATOM 0 HG12 ILE A 78 3.940 -10.118 -49.089 1.00 25.00 H new ATOM 0 HG13 ILE A 78 2.310 -9.710 -48.591 1.00 25.00 H new ATOM 0 HG21 ILE A 78 4.064 -8.966 -51.856 1.00 25.00 H new ATOM 0 HG22 ILE A 78 4.386 -7.261 -51.460 1.00 25.00 H new ATOM 0 HG23 ILE A 78 5.250 -8.555 -50.594 1.00 25.00 H new ATOM 0 HD11 ILE A 78 2.312 -11.717 -50.026 1.00 25.00 H new ATOM 0 HD12 ILE A 78 1.444 -10.385 -50.827 1.00 25.00 H new ATOM 0 HD13 ILE A 78 3.099 -10.799 -51.333 1.00 25.00 H new ATOM 1231 N VAL A 79 1.286 -6.542 -48.155 1.00 25.00 N ATOM 1232 CA VAL A 79 0.114 -6.424 -47.290 1.00 25.00 C ATOM 1233 C VAL A 79 -1.009 -5.887 -48.180 1.00 25.00 C ATOM 1234 O VAL A 79 -0.720 -5.264 -49.196 1.00 25.00 O ATOM 1235 CB VAL A 79 0.412 -5.462 -46.069 1.00 25.00 C ATOM 1236 CG1 VAL A 79 0.588 -4.002 -46.526 1.00 25.00 C ATOM 1237 CG2 VAL A 79 -0.682 -5.562 -44.991 1.00 25.00 C ATOM 0 H VAL A 79 1.214 -6.015 -49.025 1.00 25.00 H new ATOM 0 HA VAL A 79 -0.166 -7.382 -46.851 1.00 25.00 H new ATOM 0 HB VAL A 79 1.353 -5.792 -45.628 1.00 25.00 H new ATOM 0 HG11 VAL A 79 0.791 -3.372 -45.660 1.00 25.00 H new ATOM 0 HG12 VAL A 79 1.422 -3.938 -47.225 1.00 25.00 H new ATOM 0 HG13 VAL A 79 -0.324 -3.662 -47.016 1.00 25.00 H new ATOM 0 HG21 VAL A 79 -0.445 -4.888 -44.168 1.00 25.00 H new ATOM 0 HG22 VAL A 79 -1.644 -5.284 -45.422 1.00 25.00 H new ATOM 0 HG23 VAL A 79 -0.733 -6.585 -44.619 1.00 25.00 H new ATOM 1247 N THR A 80 -2.259 -6.120 -47.789 1.00 25.00 N ATOM 1248 CA THR A 80 -3.443 -5.589 -48.486 1.00 25.00 C ATOM 1249 C THR A 80 -3.467 -5.861 -49.998 1.00 25.00 C ATOM 1250 O THR A 80 -3.250 -4.986 -50.828 1.00 25.00 O ATOM 1251 CB THR A 80 -3.584 -4.067 -48.226 1.00 25.00 C ATOM 1252 OG1 THR A 80 -3.297 -3.802 -46.849 1.00 25.00 O ATOM 1253 CG2 THR A 80 -5.005 -3.580 -48.503 1.00 25.00 C ATOM 0 H THR A 80 -2.488 -6.687 -46.973 1.00 25.00 H new ATOM 0 HA THR A 80 -4.292 -6.130 -48.068 1.00 25.00 H new ATOM 0 HB THR A 80 -2.892 -3.549 -48.890 1.00 25.00 H new ATOM 0 HG1 THR A 80 -3.382 -2.841 -46.676 1.00 25.00 H new ATOM 0 HG21 THR A 80 -5.067 -2.509 -48.310 1.00 25.00 H new ATOM 0 HG22 THR A 80 -5.260 -3.777 -49.544 1.00 25.00 H new ATOM 0 HG23 THR A 80 -5.703 -4.107 -47.852 1.00 25.00 H new ATOM 1261 N ASP A 81 -3.811 -7.105 -50.344 1.00 25.00 N ATOM 1262 CA ASP A 81 -3.928 -7.592 -51.738 1.00 25.00 C ATOM 1263 C ASP A 81 -4.848 -6.743 -52.625 1.00 25.00 C ATOM 1264 O ASP A 81 -4.709 -6.623 -53.823 1.00 25.00 O ATOM 1265 CB ASP A 81 -4.428 -9.056 -51.748 1.00 25.00 C ATOM 1266 CG ASP A 81 -3.764 -9.864 -50.670 1.00 25.00 C ATOM 1267 OD1 ASP A 81 -2.785 -10.517 -50.945 1.00 25.00 O ATOM 1268 OD2 ASP A 81 -4.219 -9.799 -49.541 1.00 25.00 O ATOM 1269 OXT ASP A 81 -5.861 -6.231 -51.986 1.00 25.00 O ATOM 0 H ASP A 81 -4.023 -7.825 -49.653 1.00 25.00 H new ATOM 0 HA ASP A 81 -2.926 -7.516 -52.161 1.00 25.00 H new ATOM 0 HB2 ASP A 81 -5.509 -9.075 -51.607 1.00 25.00 H new ATOM 0 HB3 ASP A 81 -4.226 -9.506 -52.720 1.00 25.00 H new TER 1275 ASP A 81