USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 HIS : no HD1:sc= 0 X(o=0.93,f=0.77) USER MOD Set 1.2: A 82 THR OG1 : rot 6:sc= 0.926 USER MOD Single : A 1 GLY N :NH3+ -177:sc= 0 (180deg=-0.0153) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.27) USER MOD Single : A 17 HIS : no HD1:sc= -0.0633 K(o=-0.063,f=-1.1) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 172:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.97 X(o=-2,f=-2.2) USER MOD Single : A 57 GLN : amide:sc= -0.0215 K(o=-0.021,f=-1.9!) USER MOD Single : A 58 SER OG : rot 33:sc= 0.564 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 64 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-6.1!) USER MOD Single : A 72 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.685 K(o=-0.68,f=-4.3!) USER MOD Single : A 81 LYS NZ :NH3+ -120:sc= -0.135 (180deg=-2.19!) USER MOD Single : A 83 MET CE :methyl 179:sc= -1.69 (180deg=-1.7) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.642 22.462 -12.849 1.00 0.00 N ATOM 2 CA GLY A 1 -0.474 23.327 -12.514 1.00 0.00 C ATOM 3 C GLY A 1 -1.454 22.669 -11.563 1.00 0.00 C ATOM 4 O GLY A 1 -1.918 23.292 -10.609 1.00 0.00 O ATOM 0 H1 GLY A 1 1.308 22.976 -13.460 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.128 22.169 -11.977 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.291 21.621 -13.350 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.096 24.244 -12.063 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.995 23.612 -13.428 1.00 0.00 H new ATOM 8 N SER A 2 -1.770 21.404 -11.825 1.00 0.00 N ATOM 9 CA SER A 2 -2.706 20.662 -10.988 1.00 0.00 C ATOM 10 C SER A 2 -2.062 19.386 -10.454 1.00 0.00 C ATOM 11 O SER A 2 -1.124 18.855 -11.049 1.00 0.00 O ATOM 12 CB SER A 2 -3.968 20.317 -11.780 1.00 0.00 C ATOM 13 OG SER A 2 -4.795 21.456 -11.942 1.00 0.00 O ATOM 0 H SER A 2 -1.392 20.872 -12.609 1.00 0.00 H new ATOM 0 HA SER A 2 -2.978 21.293 -10.142 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.691 19.923 -12.758 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.521 19.532 -11.265 1.00 0.00 H new ATOM 0 HG SER A 2 -5.594 21.210 -12.453 1.00 0.00 H new ATOM 19 N SER A 3 -2.573 18.900 -9.327 1.00 0.00 N ATOM 20 CA SER A 3 -2.046 17.688 -8.709 1.00 0.00 C ATOM 21 C SER A 3 -3.167 16.695 -8.420 1.00 0.00 C ATOM 22 O SER A 3 -3.670 16.619 -7.300 1.00 0.00 O ATOM 23 CB SER A 3 -1.306 18.031 -7.415 1.00 0.00 C ATOM 24 OG SER A 3 -0.309 17.066 -7.127 1.00 0.00 O ATOM 0 H SER A 3 -3.351 19.326 -8.823 1.00 0.00 H new ATOM 0 HA SER A 3 -1.347 17.227 -9.407 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.848 19.016 -7.504 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.016 18.083 -6.589 1.00 0.00 H new ATOM 0 HG SER A 3 0.151 17.308 -6.296 1.00 0.00 H new ATOM 30 N GLY A 4 -3.554 15.934 -9.440 1.00 0.00 N ATOM 31 CA GLY A 4 -4.613 14.956 -9.275 1.00 0.00 C ATOM 32 C GLY A 4 -5.122 14.425 -10.601 1.00 0.00 C ATOM 33 O GLY A 4 -6.124 14.908 -11.127 1.00 0.00 O ATOM 0 H GLY A 4 -3.153 15.978 -10.377 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.246 14.126 -8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.439 15.408 -8.727 1.00 0.00 H new ATOM 37 N SER A 5 -4.430 13.428 -11.143 1.00 0.00 N ATOM 38 CA SER A 5 -4.815 12.835 -12.418 1.00 0.00 C ATOM 39 C SER A 5 -5.581 11.533 -12.202 1.00 0.00 C ATOM 40 O SER A 5 -5.348 10.817 -11.228 1.00 0.00 O ATOM 41 CB SER A 5 -3.576 12.574 -13.278 1.00 0.00 C ATOM 42 OG SER A 5 -2.762 11.565 -12.706 1.00 0.00 O ATOM 0 H SER A 5 -3.600 13.014 -10.719 1.00 0.00 H new ATOM 0 HA SER A 5 -5.467 13.539 -12.936 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.882 12.274 -14.280 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.001 13.494 -13.382 1.00 0.00 H new ATOM 0 HG SER A 5 -1.978 11.416 -13.275 1.00 0.00 H new ATOM 48 N SER A 6 -6.496 11.234 -13.118 1.00 0.00 N ATOM 49 CA SER A 6 -7.301 10.021 -13.027 1.00 0.00 C ATOM 50 C SER A 6 -6.465 8.789 -13.360 1.00 0.00 C ATOM 51 O SER A 6 -5.637 8.813 -14.270 1.00 0.00 O ATOM 52 CB SER A 6 -8.501 10.108 -13.972 1.00 0.00 C ATOM 53 OG SER A 6 -9.441 9.084 -13.698 1.00 0.00 O ATOM 0 H SER A 6 -6.699 11.815 -13.932 1.00 0.00 H new ATOM 0 HA SER A 6 -7.661 9.929 -12.002 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.979 11.082 -13.869 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.161 10.027 -15.005 1.00 0.00 H new ATOM 0 HG SER A 6 -10.199 9.162 -14.314 1.00 0.00 H new ATOM 59 N GLY A 7 -6.689 7.711 -12.615 1.00 0.00 N ATOM 60 CA GLY A 7 -5.949 6.483 -12.845 1.00 0.00 C ATOM 61 C GLY A 7 -5.522 5.813 -11.554 1.00 0.00 C ATOM 62 O GLY A 7 -6.268 5.018 -10.982 1.00 0.00 O ATOM 0 H GLY A 7 -7.369 7.666 -11.856 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.565 5.794 -13.422 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.067 6.701 -13.447 1.00 0.00 H new ATOM 66 N VAL A 8 -4.317 6.133 -11.093 1.00 0.00 N ATOM 67 CA VAL A 8 -3.791 5.556 -9.862 1.00 0.00 C ATOM 68 C VAL A 8 -4.526 6.102 -8.642 1.00 0.00 C ATOM 69 O VAL A 8 -4.906 7.272 -8.604 1.00 0.00 O ATOM 70 CB VAL A 8 -2.285 5.838 -9.709 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.741 5.167 -8.457 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.528 5.374 -10.944 1.00 0.00 C ATOM 0 H VAL A 8 -3.687 6.789 -11.554 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.947 4.479 -9.925 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.143 6.914 -9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.675 5.377 -8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.264 5.552 -7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.894 4.090 -8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.465 5.581 -10.819 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.675 4.303 -11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.900 5.905 -11.820 1.00 0.00 H new ATOM 82 N THR A 9 -4.722 5.245 -7.644 1.00 0.00 N ATOM 83 CA THR A 9 -5.411 5.640 -6.422 1.00 0.00 C ATOM 84 C THR A 9 -4.454 5.669 -5.236 1.00 0.00 C ATOM 85 O THR A 9 -3.927 4.635 -4.825 1.00 0.00 O ATOM 86 CB THR A 9 -6.578 4.687 -6.103 1.00 0.00 C ATOM 87 OG1 THR A 9 -7.484 4.633 -7.210 1.00 0.00 O ATOM 88 CG2 THR A 9 -7.321 5.141 -4.855 1.00 0.00 C ATOM 0 H THR A 9 -4.413 4.273 -7.659 1.00 0.00 H new ATOM 0 HA THR A 9 -5.806 6.642 -6.591 1.00 0.00 H new ATOM 0 HB THR A 9 -6.167 3.694 -5.922 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.222 4.024 -6.999 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.141 4.453 -4.649 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.636 5.153 -4.008 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.719 6.143 -5.013 1.00 0.00 H new ATOM 96 N THR A 10 -4.234 6.860 -4.689 1.00 0.00 N ATOM 97 CA THR A 10 -3.340 7.024 -3.549 1.00 0.00 C ATOM 98 C THR A 10 -4.116 7.034 -2.238 1.00 0.00 C ATOM 99 O THR A 10 -5.188 7.632 -2.145 1.00 0.00 O ATOM 100 CB THR A 10 -2.522 8.325 -3.659 1.00 0.00 C ATOM 101 OG1 THR A 10 -1.915 8.414 -4.953 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.447 8.381 -2.584 1.00 0.00 C ATOM 0 H THR A 10 -4.663 7.726 -5.017 1.00 0.00 H new ATOM 0 HA THR A 10 -2.659 6.173 -3.557 1.00 0.00 H new ATOM 0 HB THR A 10 -3.199 9.167 -3.517 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.398 9.244 -5.016 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.883 9.308 -2.682 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.914 8.343 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.773 7.532 -2.699 1.00 0.00 H new ATOM 110 N ALA A 11 -3.569 6.370 -1.226 1.00 0.00 N ATOM 111 CA ALA A 11 -4.209 6.305 0.082 1.00 0.00 C ATOM 112 C ALA A 11 -3.213 6.603 1.197 1.00 0.00 C ATOM 113 O ALA A 11 -2.022 6.317 1.070 1.00 0.00 O ATOM 114 CB ALA A 11 -4.846 4.939 0.291 1.00 0.00 C ATOM 0 H ALA A 11 -2.683 5.869 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.989 7.066 0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.320 4.905 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.596 4.765 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.079 4.167 0.232 1.00 0.00 H new ATOM 120 N ILE A 12 -3.707 7.178 2.288 1.00 0.00 N ATOM 121 CA ILE A 12 -2.859 7.514 3.425 1.00 0.00 C ATOM 122 C ILE A 12 -3.287 6.751 4.674 1.00 0.00 C ATOM 123 O ILE A 12 -4.467 6.725 5.023 1.00 0.00 O ATOM 124 CB ILE A 12 -2.890 9.024 3.724 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.650 9.825 2.442 1.00 0.00 C ATOM 126 CG2 ILE A 12 -1.850 9.377 4.777 1.00 0.00 C ATOM 127 CD1 ILE A 12 -1.225 9.749 1.940 1.00 0.00 C ATOM 0 H ILE A 12 -4.690 7.421 2.409 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.843 7.226 3.156 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.875 9.282 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.321 9.460 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.908 10.869 2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.884 10.448 4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.061 8.829 5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.858 9.107 4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.128 10.340 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.550 10.141 2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.969 8.711 1.728 1.00 0.00 H new ATOM 139 N ILE A 13 -2.320 6.133 5.343 1.00 0.00 N ATOM 140 CA ILE A 13 -2.596 5.372 6.556 1.00 0.00 C ATOM 141 C ILE A 13 -2.094 6.108 7.793 1.00 0.00 C ATOM 142 O ILE A 13 -0.922 6.477 7.876 1.00 0.00 O ATOM 143 CB ILE A 13 -1.948 3.976 6.504 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.374 3.239 5.232 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.324 3.172 7.740 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.868 3.028 5.128 1.00 0.00 C ATOM 0 H ILE A 13 -1.338 6.144 5.066 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.678 5.259 6.618 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.865 4.094 6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.034 3.803 4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.875 2.270 5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.859 2.188 7.689 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.976 3.692 8.632 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.407 3.059 7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.097 2.500 4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.212 2.438 5.977 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.373 3.994 5.129 1.00 0.00 H new ATOM 158 N HIS A 14 -2.988 6.317 8.754 1.00 0.00 N ATOM 159 CA HIS A 14 -2.635 7.007 9.990 1.00 0.00 C ATOM 160 C HIS A 14 -2.001 6.043 10.989 1.00 0.00 C ATOM 161 O HIS A 14 -2.698 5.267 11.644 1.00 0.00 O ATOM 162 CB HIS A 14 -3.872 7.658 10.607 1.00 0.00 C ATOM 163 CG HIS A 14 -4.263 8.946 9.948 1.00 0.00 C ATOM 164 ND1 HIS A 14 -3.345 9.889 9.536 1.00 0.00 N ATOM 165 CD2 HIS A 14 -5.481 9.443 9.630 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.982 10.911 8.994 1.00 0.00 C ATOM 167 NE2 HIS A 14 -5.279 10.666 9.038 1.00 0.00 N ATOM 0 H HIS A 14 -3.962 6.019 8.701 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.908 7.782 9.749 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.708 6.961 10.547 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.686 7.843 11.665 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.434 8.967 9.808 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.520 11.797 8.584 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.011 11.284 8.689 1.00 0.00 H new ATOM 175 N ARG A 15 -0.678 6.096 11.099 1.00 0.00 N ATOM 176 CA ARG A 15 0.048 5.227 12.016 1.00 0.00 C ATOM 177 C ARG A 15 0.617 6.024 13.186 1.00 0.00 C ATOM 178 O ARG A 15 1.798 6.370 13.218 1.00 0.00 O ATOM 179 CB ARG A 15 1.178 4.504 11.280 1.00 0.00 C ATOM 180 CG ARG A 15 0.707 3.321 10.451 1.00 0.00 C ATOM 181 CD ARG A 15 1.799 2.274 10.303 1.00 0.00 C ATOM 182 NE ARG A 15 1.950 1.466 11.511 1.00 0.00 N ATOM 183 CZ ARG A 15 2.479 0.247 11.519 1.00 0.00 C ATOM 184 NH1 ARG A 15 2.906 -0.301 10.389 1.00 0.00 N ATOM 185 NH2 ARG A 15 2.582 -0.425 12.658 1.00 0.00 N ATOM 0 H ARG A 15 -0.087 6.732 10.564 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.652 4.489 12.408 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.688 5.213 10.628 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.911 4.157 12.008 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.168 2.872 10.921 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.397 3.667 9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.566 1.624 9.459 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.745 2.766 10.075 1.00 0.00 H new ATOM 0 HE ARG A 15 1.632 1.859 12.397 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.829 0.213 9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.312 -1.237 10.397 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.255 -0.006 13.529 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.988 -1.361 12.663 1.00 0.00 H new ATOM 199 N PRO A 16 -0.243 6.324 14.171 1.00 0.00 N ATOM 200 CA PRO A 16 0.151 7.083 15.361 1.00 0.00 C ATOM 201 C PRO A 16 1.076 6.288 16.277 1.00 0.00 C ATOM 202 O PRO A 16 1.615 6.822 17.247 1.00 0.00 O ATOM 203 CB PRO A 16 -1.181 7.364 16.060 1.00 0.00 C ATOM 204 CG PRO A 16 -2.085 6.270 15.606 1.00 0.00 C ATOM 205 CD PRO A 16 -1.665 5.943 14.199 1.00 0.00 C ATOM 0 HA PRO A 16 0.711 7.982 15.103 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.068 7.360 17.144 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.574 8.343 15.784 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.996 5.397 16.253 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.128 6.586 15.639 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.802 4.885 13.974 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.246 6.503 13.466 1.00 0.00 H new ATOM 213 N HIS A 17 1.256 5.009 15.963 1.00 0.00 N ATOM 214 CA HIS A 17 2.117 4.140 16.757 1.00 0.00 C ATOM 215 C HIS A 17 2.570 2.933 15.943 1.00 0.00 C ATOM 216 O HIS A 17 1.890 2.512 15.007 1.00 0.00 O ATOM 217 CB HIS A 17 1.385 3.675 18.017 1.00 0.00 C ATOM 218 CG HIS A 17 2.287 3.480 19.196 1.00 0.00 C ATOM 219 ND1 HIS A 17 3.051 2.346 19.379 1.00 0.00 N ATOM 220 CD2 HIS A 17 2.547 4.282 20.255 1.00 0.00 C ATOM 221 CE1 HIS A 17 3.740 2.459 20.501 1.00 0.00 C ATOM 222 NE2 HIS A 17 3.452 3.625 21.051 1.00 0.00 N ATOM 0 H HIS A 17 0.817 4.551 15.164 1.00 0.00 H new ATOM 0 HA HIS A 17 2.999 4.711 17.048 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.619 4.407 18.273 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.872 2.737 17.804 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.122 5.257 20.439 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.422 1.723 20.900 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.839 3.980 21.925 1.00 0.00 H new ATOM 230 N ALA A 18 3.724 2.380 16.305 1.00 0.00 N ATOM 231 CA ALA A 18 4.267 1.221 15.608 1.00 0.00 C ATOM 232 C ALA A 18 3.710 -0.077 16.185 1.00 0.00 C ATOM 233 O ALA A 18 3.084 -0.864 15.475 1.00 0.00 O ATOM 234 CB ALA A 18 5.786 1.224 15.683 1.00 0.00 C ATOM 0 H ALA A 18 4.300 2.716 17.077 1.00 0.00 H new ATOM 0 HA ALA A 18 3.966 1.283 14.562 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.178 0.353 15.158 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.171 2.131 15.218 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.099 1.190 16.727 1.00 0.00 H new ATOM 240 N ARG A 19 3.943 -0.293 17.475 1.00 0.00 N ATOM 241 CA ARG A 19 3.466 -1.496 18.147 1.00 0.00 C ATOM 242 C ARG A 19 2.118 -1.935 17.583 1.00 0.00 C ATOM 243 O ARG A 19 1.814 -3.126 17.533 1.00 0.00 O ATOM 244 CB ARG A 19 3.347 -1.253 19.652 1.00 0.00 C ATOM 245 CG ARG A 19 4.665 -1.387 20.397 1.00 0.00 C ATOM 246 CD ARG A 19 4.877 -2.805 20.903 1.00 0.00 C ATOM 247 NE ARG A 19 5.557 -3.642 19.918 1.00 0.00 N ATOM 248 CZ ARG A 19 4.921 -4.336 18.980 1.00 0.00 C ATOM 249 NH1 ARG A 19 3.599 -4.293 18.900 1.00 0.00 N ATOM 250 NH2 ARG A 19 5.609 -5.075 18.119 1.00 0.00 N ATOM 0 H ARG A 19 4.459 0.349 18.076 1.00 0.00 H new ATOM 0 HA ARG A 19 4.190 -2.291 17.971 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.945 -0.254 19.819 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.630 -1.959 20.070 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.487 -1.108 19.738 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.681 -0.693 21.238 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.463 -2.778 21.822 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.913 -3.249 21.152 1.00 0.00 H new ATOM 0 HE ARG A 19 6.575 -3.697 19.952 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.066 -3.726 19.560 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.114 -4.827 18.179 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.627 -5.111 18.177 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.120 -5.607 17.399 1.00 0.00 H new ATOM 264 N GLU A 20 1.314 -0.964 17.161 1.00 0.00 N ATOM 265 CA GLU A 20 -0.002 -1.250 16.603 1.00 0.00 C ATOM 266 C GLU A 20 0.110 -1.704 15.150 1.00 0.00 C ATOM 267 O GLU A 20 0.938 -1.197 14.393 1.00 0.00 O ATOM 268 CB GLU A 20 -0.900 -0.015 16.694 1.00 0.00 C ATOM 269 CG GLU A 20 -0.941 0.606 18.081 1.00 0.00 C ATOM 270 CD GLU A 20 -1.930 -0.085 18.999 1.00 0.00 C ATOM 271 OE1 GLU A 20 -2.949 -0.602 18.495 1.00 0.00 O ATOM 272 OE2 GLU A 20 -1.685 -0.109 20.224 1.00 0.00 O ATOM 0 H GLU A 20 1.551 0.027 17.195 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.447 -2.057 17.185 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.550 0.732 15.981 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.912 -0.289 16.398 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.054 0.561 18.525 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.205 1.660 17.996 1.00 0.00 H new ATOM 279 N GLN A 21 -0.727 -2.664 14.770 1.00 0.00 N ATOM 280 CA GLN A 21 -0.721 -3.187 13.409 1.00 0.00 C ATOM 281 C GLN A 21 -1.330 -2.182 12.436 1.00 0.00 C ATOM 282 O GLN A 21 -1.662 -1.058 12.815 1.00 0.00 O ATOM 283 CB GLN A 21 -1.491 -4.508 13.344 1.00 0.00 C ATOM 284 CG GLN A 21 -2.945 -4.386 13.769 1.00 0.00 C ATOM 285 CD GLN A 21 -3.664 -5.720 13.779 1.00 0.00 C ATOM 286 OE1 GLN A 21 -4.137 -6.191 12.744 1.00 0.00 O ATOM 287 NE2 GLN A 21 -3.750 -6.338 14.951 1.00 0.00 N ATOM 0 H GLN A 21 -1.417 -3.095 15.385 1.00 0.00 H new ATOM 0 HA GLN A 21 0.315 -3.363 13.120 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.450 -4.893 12.325 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -0.995 -5.240 13.982 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.993 -3.944 14.764 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.461 -3.704 13.093 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.344 -5.911 15.784 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.222 -7.239 15.019 1.00 0.00 H new ATOM 296 N LEU A 22 -1.473 -2.593 11.181 1.00 0.00 N ATOM 297 CA LEU A 22 -2.042 -1.729 10.153 1.00 0.00 C ATOM 298 C LEU A 22 -3.479 -2.130 9.838 1.00 0.00 C ATOM 299 O LEU A 22 -4.351 -1.277 9.674 1.00 0.00 O ATOM 300 CB LEU A 22 -1.194 -1.789 8.882 1.00 0.00 C ATOM 301 CG LEU A 22 -0.061 -0.766 8.782 1.00 0.00 C ATOM 302 CD1 LEU A 22 1.008 -1.247 7.813 1.00 0.00 C ATOM 303 CD2 LEU A 22 -0.602 0.589 8.352 1.00 0.00 C ATOM 0 H LEU A 22 -1.203 -3.519 10.851 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.045 -0.707 10.533 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.763 -2.787 8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.852 -1.657 8.023 1.00 0.00 H new ATOM 0 HG LEU A 22 0.393 -0.657 9.767 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.806 -0.507 7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.417 -2.195 8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.568 -1.385 6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.218 1.304 8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.082 0.497 7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.330 0.939 9.084 1.00 0.00 H new ATOM 315 N GLY A 23 -3.720 -3.435 9.757 1.00 0.00 N ATOM 316 CA GLY A 23 -5.054 -3.927 9.465 1.00 0.00 C ATOM 317 C GLY A 23 -5.134 -4.620 8.119 1.00 0.00 C ATOM 318 O GLY A 23 -5.772 -5.664 7.987 1.00 0.00 O ATOM 0 H GLY A 23 -3.015 -4.160 9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.361 -4.622 10.247 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.757 -3.095 9.484 1.00 0.00 H new ATOM 322 N PHE A 24 -4.487 -4.036 7.115 1.00 0.00 N ATOM 323 CA PHE A 24 -4.490 -4.602 5.771 1.00 0.00 C ATOM 324 C PHE A 24 -3.363 -5.619 5.607 1.00 0.00 C ATOM 325 O PHE A 24 -2.257 -5.421 6.110 1.00 0.00 O ATOM 326 CB PHE A 24 -4.347 -3.493 4.727 1.00 0.00 C ATOM 327 CG PHE A 24 -3.018 -2.794 4.772 1.00 0.00 C ATOM 328 CD1 PHE A 24 -2.834 -1.679 5.573 1.00 0.00 C ATOM 329 CD2 PHE A 24 -1.953 -3.254 4.015 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.613 -1.033 5.615 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.729 -2.613 4.054 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.558 -1.502 4.856 1.00 0.00 C ATOM 0 H PHE A 24 -3.954 -3.171 7.207 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.441 -5.112 5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.491 -3.919 3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.139 -2.760 4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.654 -1.310 6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.080 -4.123 3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.484 -0.162 6.241 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.093 -2.981 3.458 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.398 -1.001 4.890 1.00 0.00 H new ATOM 342 N CYS A 25 -3.654 -6.705 4.901 1.00 0.00 N ATOM 343 CA CYS A 25 -2.667 -7.754 4.671 1.00 0.00 C ATOM 344 C CYS A 25 -2.181 -7.736 3.225 1.00 0.00 C ATOM 345 O CYS A 25 -2.981 -7.768 2.290 1.00 0.00 O ATOM 346 CB CYS A 25 -3.260 -9.124 5.005 1.00 0.00 C ATOM 347 SG CYS A 25 -2.057 -10.474 4.987 1.00 0.00 S ATOM 0 H CYS A 25 -4.565 -6.883 4.478 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.815 -7.566 5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.723 -9.077 5.991 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.053 -9.349 4.291 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.653 -11.591 5.284 1.00 0.00 H new ATOM 353 N VAL A 26 -0.865 -7.683 3.049 1.00 0.00 N ATOM 354 CA VAL A 26 -0.272 -7.659 1.717 1.00 0.00 C ATOM 355 C VAL A 26 0.372 -8.999 1.379 1.00 0.00 C ATOM 356 O VAL A 26 1.050 -9.601 2.211 1.00 0.00 O ATOM 357 CB VAL A 26 0.788 -6.548 1.594 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.417 -6.562 0.210 1.00 0.00 C ATOM 359 CG2 VAL A 26 0.172 -5.190 1.895 1.00 0.00 C ATOM 0 H VAL A 26 -0.189 -7.656 3.812 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.081 -7.459 1.014 1.00 0.00 H new ATOM 0 HB VAL A 26 1.574 -6.736 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.163 -5.770 0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.894 -7.527 0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.645 -6.399 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.934 -4.416 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.633 -4.991 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.227 -5.188 2.909 1.00 0.00 H new ATOM 369 N GLU A 27 0.154 -9.461 0.151 1.00 0.00 N ATOM 370 CA GLU A 27 0.713 -10.731 -0.297 1.00 0.00 C ATOM 371 C GLU A 27 1.502 -10.551 -1.591 1.00 0.00 C ATOM 372 O GLU A 27 0.937 -10.223 -2.635 1.00 0.00 O ATOM 373 CB GLU A 27 -0.401 -11.759 -0.505 1.00 0.00 C ATOM 374 CG GLU A 27 -1.133 -12.130 0.774 1.00 0.00 C ATOM 375 CD GLU A 27 -1.931 -13.412 0.638 1.00 0.00 C ATOM 376 OE1 GLU A 27 -1.310 -14.484 0.484 1.00 0.00 O ATOM 377 OE2 GLU A 27 -3.177 -13.343 0.685 1.00 0.00 O ATOM 0 H GLU A 27 -0.405 -8.975 -0.550 1.00 0.00 H new ATOM 0 HA GLU A 27 1.392 -11.093 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.119 -11.364 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.026 -12.661 -0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.411 -12.240 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.803 -11.317 1.054 1.00 0.00 H new ATOM 384 N ASP A 28 2.810 -10.768 -1.514 1.00 0.00 N ATOM 385 CA ASP A 28 3.678 -10.631 -2.678 1.00 0.00 C ATOM 386 C ASP A 28 3.522 -9.253 -3.313 1.00 0.00 C ATOM 387 O ASP A 28 3.728 -9.085 -4.514 1.00 0.00 O ATOM 388 CB ASP A 28 3.364 -11.719 -3.706 1.00 0.00 C ATOM 389 CG ASP A 28 4.172 -12.981 -3.479 1.00 0.00 C ATOM 390 OD1 ASP A 28 4.407 -13.333 -2.304 1.00 0.00 O ATOM 391 OD2 ASP A 28 4.570 -13.618 -4.477 1.00 0.00 O ATOM 0 H ASP A 28 3.293 -11.040 -0.658 1.00 0.00 H new ATOM 0 HA ASP A 28 4.710 -10.743 -2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.302 -11.959 -3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.565 -11.338 -4.707 1.00 0.00 H new ATOM 396 N GLY A 29 3.155 -8.269 -2.498 1.00 0.00 N ATOM 397 CA GLY A 29 2.976 -6.919 -2.998 1.00 0.00 C ATOM 398 C GLY A 29 1.563 -6.664 -3.486 1.00 0.00 C ATOM 399 O GLY A 29 1.329 -5.752 -4.279 1.00 0.00 O ATOM 0 H GLY A 29 2.978 -8.383 -1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.219 -6.207 -2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.677 -6.741 -3.814 1.00 0.00 H new ATOM 403 N ILE A 30 0.621 -7.471 -3.012 1.00 0.00 N ATOM 404 CA ILE A 30 -0.776 -7.328 -3.405 1.00 0.00 C ATOM 405 C ILE A 30 -1.707 -7.572 -2.223 1.00 0.00 C ATOM 406 O ILE A 30 -1.770 -8.679 -1.688 1.00 0.00 O ATOM 407 CB ILE A 30 -1.142 -8.300 -4.543 1.00 0.00 C ATOM 408 CG1 ILE A 30 -0.238 -8.065 -5.754 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.605 -8.137 -4.927 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.494 -9.026 -6.894 1.00 0.00 C ATOM 0 H ILE A 30 0.799 -8.231 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.902 -6.304 -3.758 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.990 -9.321 -4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.380 -7.045 -6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.803 -8.152 -5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.849 -8.830 -5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.234 -8.349 -4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.782 -7.115 -5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.182 -8.801 -7.719 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.324 -10.048 -6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.525 -8.923 -7.232 1.00 0.00 H new ATOM 422 N ILE A 31 -2.431 -6.532 -1.822 1.00 0.00 N ATOM 423 CA ILE A 31 -3.362 -6.634 -0.706 1.00 0.00 C ATOM 424 C ILE A 31 -4.430 -7.689 -0.975 1.00 0.00 C ATOM 425 O ILE A 31 -4.931 -7.808 -2.094 1.00 0.00 O ATOM 426 CB ILE A 31 -4.048 -5.286 -0.420 1.00 0.00 C ATOM 427 CG1 ILE A 31 -3.002 -4.186 -0.229 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.940 -5.395 0.808 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.523 -2.798 -0.526 1.00 0.00 C ATOM 0 H ILE A 31 -2.390 -5.609 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.778 -6.927 0.166 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.671 -5.024 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.638 -4.216 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.149 -4.391 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.418 -4.434 0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.704 -6.153 0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.337 -5.677 1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.727 -2.070 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.861 -2.750 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.357 -2.573 0.138 1.00 0.00 H new ATOM 441 N CYS A 32 -4.775 -8.450 0.057 1.00 0.00 N ATOM 442 CA CYS A 32 -5.785 -9.495 -0.068 1.00 0.00 C ATOM 443 C CYS A 32 -6.941 -9.252 0.897 1.00 0.00 C ATOM 444 O CYS A 32 -8.083 -9.059 0.478 1.00 0.00 O ATOM 445 CB CYS A 32 -5.165 -10.868 0.197 1.00 0.00 C ATOM 446 SG CYS A 32 -6.085 -12.246 -0.527 1.00 0.00 S ATOM 0 H CYS A 32 -4.371 -8.363 0.989 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.173 -9.470 -1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.148 -10.878 -0.196 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.092 -11.020 1.274 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.394 -13.340 -0.406 1.00 0.00 H new ATOM 452 N SER A 33 -6.638 -9.263 2.191 1.00 0.00 N ATOM 453 CA SER A 33 -7.652 -9.049 3.216 1.00 0.00 C ATOM 454 C SER A 33 -7.430 -7.719 3.931 1.00 0.00 C ATOM 455 O SER A 33 -6.316 -7.194 3.957 1.00 0.00 O ATOM 456 CB SER A 33 -7.634 -10.195 4.229 1.00 0.00 C ATOM 457 OG SER A 33 -8.760 -10.135 5.088 1.00 0.00 O ATOM 0 H SER A 33 -5.698 -9.418 2.554 1.00 0.00 H new ATOM 0 HA SER A 33 -8.626 -9.021 2.728 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.625 -11.149 3.703 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.719 -10.148 4.820 1.00 0.00 H new ATOM 0 HG SER A 33 -8.726 -10.879 5.725 1.00 0.00 H new ATOM 463 N LEU A 34 -8.498 -7.181 4.510 1.00 0.00 N ATOM 464 CA LEU A 34 -8.421 -5.912 5.226 1.00 0.00 C ATOM 465 C LEU A 34 -9.116 -6.009 6.581 1.00 0.00 C ATOM 466 O LEU A 34 -10.234 -6.515 6.682 1.00 0.00 O ATOM 467 CB LEU A 34 -9.054 -4.795 4.394 1.00 0.00 C ATOM 468 CG LEU A 34 -8.504 -3.388 4.632 1.00 0.00 C ATOM 469 CD1 LEU A 34 -8.873 -2.469 3.477 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.023 -2.828 5.948 1.00 0.00 C ATOM 0 H LEU A 34 -9.426 -7.603 4.498 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.369 -5.680 5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.929 -5.039 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.126 -4.783 4.593 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.417 -3.448 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.474 -1.472 3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.452 -2.861 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.958 -2.414 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.621 -1.826 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.112 -2.782 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.708 -3.474 6.768 1.00 0.00 H new ATOM 482 N LEU A 35 -8.447 -5.519 7.619 1.00 0.00 N ATOM 483 CA LEU A 35 -9.001 -5.548 8.968 1.00 0.00 C ATOM 484 C LEU A 35 -10.197 -4.608 9.086 1.00 0.00 C ATOM 485 O LEU A 35 -10.071 -3.399 8.891 1.00 0.00 O ATOM 486 CB LEU A 35 -7.930 -5.159 9.989 1.00 0.00 C ATOM 487 CG LEU A 35 -8.375 -5.133 11.451 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.200 -6.503 12.087 1.00 0.00 C ATOM 489 CD2 LEU A 35 -7.597 -4.080 12.227 1.00 0.00 C ATOM 0 H LEU A 35 -7.521 -5.097 7.552 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.339 -6.564 9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.097 -5.856 9.896 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.549 -4.171 9.728 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.433 -4.872 11.484 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.522 -6.465 13.128 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.802 -7.234 11.547 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.150 -6.793 12.042 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.927 -4.076 13.266 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.532 -4.310 12.185 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.774 -3.099 11.786 1.00 0.00 H new ATOM 501 N ARG A 36 -11.357 -5.173 9.407 1.00 0.00 N ATOM 502 CA ARG A 36 -12.575 -4.386 9.552 1.00 0.00 C ATOM 503 C ARG A 36 -12.555 -3.587 10.852 1.00 0.00 C ATOM 504 O ARG A 36 -12.470 -4.154 11.940 1.00 0.00 O ATOM 505 CB ARG A 36 -13.804 -5.297 9.520 1.00 0.00 C ATOM 506 CG ARG A 36 -15.109 -4.553 9.290 1.00 0.00 C ATOM 507 CD ARG A 36 -15.673 -4.002 10.590 1.00 0.00 C ATOM 508 NE ARG A 36 -15.927 -5.058 11.567 1.00 0.00 N ATOM 509 CZ ARG A 36 -16.348 -4.828 12.805 1.00 0.00 C ATOM 510 NH1 ARG A 36 -16.562 -3.585 13.216 1.00 0.00 N ATOM 511 NH2 ARG A 36 -16.557 -5.841 13.636 1.00 0.00 N ATOM 0 H ARG A 36 -11.478 -6.172 9.571 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.627 -3.687 8.717 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.675 -6.039 8.732 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.867 -5.841 10.463 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.944 -3.735 8.588 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.836 -5.224 8.832 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.974 -3.279 11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.600 -3.467 10.385 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.772 -6.025 11.282 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.403 -2.803 12.580 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.885 -3.411 14.168 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.394 -6.798 13.324 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.880 -5.662 14.587 1.00 0.00 H new ATOM 525 N GLY A 37 -12.633 -2.265 10.730 1.00 0.00 N ATOM 526 CA GLY A 37 -12.621 -1.410 11.902 1.00 0.00 C ATOM 527 C GLY A 37 -11.217 -1.033 12.331 1.00 0.00 C ATOM 528 O GLY A 37 -10.932 -0.929 13.523 1.00 0.00 O ATOM 0 H GLY A 37 -12.704 -1.771 9.840 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.189 -0.504 11.692 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.124 -1.919 12.724 1.00 0.00 H new ATOM 532 N GLY A 38 -10.337 -0.829 11.356 1.00 0.00 N ATOM 533 CA GLY A 38 -8.965 -0.466 11.659 1.00 0.00 C ATOM 534 C GLY A 38 -8.586 0.890 11.098 1.00 0.00 C ATOM 535 O GLY A 38 -9.382 1.829 11.136 1.00 0.00 O ATOM 0 H GLY A 38 -10.550 -0.909 10.362 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.824 -0.461 12.740 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.294 -1.224 11.254 1.00 0.00 H new ATOM 539 N ILE A 39 -7.368 0.994 10.577 1.00 0.00 N ATOM 540 CA ILE A 39 -6.886 2.246 10.006 1.00 0.00 C ATOM 541 C ILE A 39 -7.011 2.241 8.487 1.00 0.00 C ATOM 542 O ILE A 39 -7.571 3.164 7.897 1.00 0.00 O ATOM 543 CB ILE A 39 -5.418 2.511 10.389 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.171 2.123 11.848 1.00 0.00 C ATOM 545 CG2 ILE A 39 -5.066 3.973 10.157 1.00 0.00 C ATOM 546 CD1 ILE A 39 -3.717 2.205 12.257 1.00 0.00 C ATOM 0 H ILE A 39 -6.697 0.227 10.538 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.509 3.041 10.417 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.776 1.898 9.756 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.759 2.775 12.494 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.529 1.106 12.011 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.025 4.145 10.432 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.208 4.219 9.105 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.712 4.604 10.768 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.616 1.916 13.303 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.126 1.532 11.636 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.359 3.226 12.127 1.00 0.00 H new ATOM 558 N ALA A 40 -6.486 1.194 7.859 1.00 0.00 N ATOM 559 CA ALA A 40 -6.541 1.067 6.408 1.00 0.00 C ATOM 560 C ALA A 40 -7.892 1.523 5.868 1.00 0.00 C ATOM 561 O ALA A 40 -7.978 2.513 5.142 1.00 0.00 O ATOM 562 CB ALA A 40 -6.263 -0.371 5.993 1.00 0.00 C ATOM 0 H ALA A 40 -6.018 0.421 8.333 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.772 1.712 5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.307 -0.451 4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.272 -0.664 6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.011 -1.029 6.436 1.00 0.00 H new ATOM 568 N GLU A 41 -8.945 0.794 6.226 1.00 0.00 N ATOM 569 CA GLU A 41 -10.291 1.125 5.776 1.00 0.00 C ATOM 570 C GLU A 41 -10.529 2.631 5.830 1.00 0.00 C ATOM 571 O GLU A 41 -11.232 3.190 4.987 1.00 0.00 O ATOM 572 CB GLU A 41 -11.332 0.402 6.634 1.00 0.00 C ATOM 573 CG GLU A 41 -12.764 0.639 6.183 1.00 0.00 C ATOM 574 CD GLU A 41 -13.774 -0.104 7.035 1.00 0.00 C ATOM 575 OE1 GLU A 41 -14.075 0.372 8.150 1.00 0.00 O ATOM 576 OE2 GLU A 41 -14.265 -1.161 6.586 1.00 0.00 O ATOM 0 H GLU A 41 -8.891 -0.029 6.826 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.391 0.796 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.126 -0.668 6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.227 0.728 7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.980 1.707 6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.870 0.326 5.144 1.00 0.00 H new ATOM 583 N ARG A 42 -9.938 3.282 6.826 1.00 0.00 N ATOM 584 CA ARG A 42 -10.086 4.723 6.992 1.00 0.00 C ATOM 585 C ARG A 42 -9.119 5.477 6.084 1.00 0.00 C ATOM 586 O ARG A 42 -9.425 6.567 5.603 1.00 0.00 O ATOM 587 CB ARG A 42 -9.846 5.117 8.450 1.00 0.00 C ATOM 588 CG ARG A 42 -10.853 4.518 9.418 1.00 0.00 C ATOM 589 CD ARG A 42 -10.972 5.350 10.685 1.00 0.00 C ATOM 590 NE ARG A 42 -11.514 4.576 11.799 1.00 0.00 N ATOM 591 CZ ARG A 42 -11.655 5.058 13.028 1.00 0.00 C ATOM 592 NH1 ARG A 42 -11.296 6.305 13.300 1.00 0.00 N ATOM 593 NH2 ARG A 42 -12.156 4.292 13.989 1.00 0.00 N ATOM 0 H ARG A 42 -9.352 2.834 7.531 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.104 4.993 6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.844 4.803 8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.877 6.203 8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.827 4.449 8.934 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.552 3.502 9.675 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.991 5.739 10.957 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.614 6.210 10.495 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.800 3.613 11.623 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.910 6.897 12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.406 6.673 14.245 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.433 3.332 13.784 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.264 4.663 14.933 1.00 0.00 H new ATOM 607 N GLY A 43 -7.950 4.887 5.854 1.00 0.00 N ATOM 608 CA GLY A 43 -6.955 5.518 5.005 1.00 0.00 C ATOM 609 C GLY A 43 -7.348 5.499 3.541 1.00 0.00 C ATOM 610 O GLY A 43 -7.205 6.500 2.840 1.00 0.00 O ATOM 0 H GLY A 43 -7.674 3.984 6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.809 6.549 5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.000 5.008 5.129 1.00 0.00 H new ATOM 614 N GLY A 44 -7.842 4.355 3.076 1.00 0.00 N ATOM 615 CA GLY A 44 -8.246 4.231 1.688 1.00 0.00 C ATOM 616 C GLY A 44 -7.676 2.992 1.027 1.00 0.00 C ATOM 617 O GLY A 44 -7.489 2.961 -0.190 1.00 0.00 O ATOM 0 H GLY A 44 -7.969 3.512 3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.334 4.202 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.922 5.114 1.138 1.00 0.00 H new ATOM 621 N ILE A 45 -7.396 1.971 1.829 1.00 0.00 N ATOM 622 CA ILE A 45 -6.842 0.725 1.314 1.00 0.00 C ATOM 623 C ILE A 45 -7.947 -0.211 0.835 1.00 0.00 C ATOM 624 O ILE A 45 -8.934 -0.433 1.536 1.00 0.00 O ATOM 625 CB ILE A 45 -5.998 0.001 2.379 1.00 0.00 C ATOM 626 CG1 ILE A 45 -4.854 0.900 2.852 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.455 -1.308 1.825 1.00 0.00 C ATOM 628 CD1 ILE A 45 -3.798 1.141 1.796 1.00 0.00 C ATOM 0 H ILE A 45 -7.544 1.982 2.838 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.201 0.989 0.472 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.635 -0.225 3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.264 1.859 3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.385 0.448 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.861 -1.808 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.285 -1.951 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.830 -1.104 0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.019 1.786 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.361 0.189 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.253 1.622 0.930 1.00 0.00 H new ATOM 640 N ARG A 46 -7.773 -0.759 -0.363 1.00 0.00 N ATOM 641 CA ARG A 46 -8.755 -1.672 -0.936 1.00 0.00 C ATOM 642 C ARG A 46 -8.075 -2.915 -1.504 1.00 0.00 C ATOM 643 O ARG A 46 -7.275 -2.827 -2.436 1.00 0.00 O ATOM 644 CB ARG A 46 -9.556 -0.970 -2.033 1.00 0.00 C ATOM 645 CG ARG A 46 -10.694 -0.113 -1.503 1.00 0.00 C ATOM 646 CD ARG A 46 -11.976 -0.917 -1.358 1.00 0.00 C ATOM 647 NE ARG A 46 -12.575 -1.231 -2.652 1.00 0.00 N ATOM 648 CZ ARG A 46 -13.812 -1.693 -2.797 1.00 0.00 C ATOM 649 NH1 ARG A 46 -14.577 -1.893 -1.733 1.00 0.00 N ATOM 650 NH2 ARG A 46 -14.286 -1.955 -4.008 1.00 0.00 N ATOM 0 H ARG A 46 -6.961 -0.587 -0.956 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.434 -1.981 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.883 -0.344 -2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.963 -1.720 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.415 0.307 -0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.864 0.726 -2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.765 -1.842 -0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.690 -0.356 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.013 -1.088 -3.491 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.216 -1.692 -0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.526 -2.248 -1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.700 -1.802 -4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.236 -2.310 -4.118 1.00 0.00 H new ATOM 664 N VAL A 47 -8.399 -4.072 -0.935 1.00 0.00 N ATOM 665 CA VAL A 47 -7.821 -5.333 -1.385 1.00 0.00 C ATOM 666 C VAL A 47 -7.886 -5.457 -2.903 1.00 0.00 C ATOM 667 O VAL A 47 -8.526 -4.650 -3.575 1.00 0.00 O ATOM 668 CB VAL A 47 -8.541 -6.538 -0.751 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.501 -6.446 0.767 1.00 0.00 C ATOM 670 CG2 VAL A 47 -9.975 -6.625 -1.251 1.00 0.00 C ATOM 0 H VAL A 47 -9.058 -4.162 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.778 -5.334 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.021 -7.448 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.015 -7.306 1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.464 -6.437 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.995 -5.530 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.469 -7.482 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.509 -5.713 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.976 -6.742 -2.335 1.00 0.00 H new ATOM 680 N GLY A 48 -7.218 -6.475 -3.437 1.00 0.00 N ATOM 681 CA GLY A 48 -7.213 -6.687 -4.873 1.00 0.00 C ATOM 682 C GLY A 48 -6.189 -5.823 -5.583 1.00 0.00 C ATOM 683 O GLY A 48 -5.555 -6.261 -6.543 1.00 0.00 O ATOM 0 H GLY A 48 -6.680 -7.156 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.006 -7.737 -5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.204 -6.473 -5.272 1.00 0.00 H new ATOM 687 N HIS A 49 -6.028 -4.591 -5.111 1.00 0.00 N ATOM 688 CA HIS A 49 -5.075 -3.662 -5.708 1.00 0.00 C ATOM 689 C HIS A 49 -3.642 -4.060 -5.367 1.00 0.00 C ATOM 690 O HIS A 49 -3.389 -4.679 -4.333 1.00 0.00 O ATOM 691 CB HIS A 49 -5.350 -2.237 -5.227 1.00 0.00 C ATOM 692 CG HIS A 49 -6.442 -1.549 -5.986 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.435 -0.196 -6.255 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.581 -2.034 -6.534 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.522 0.120 -6.935 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.234 -0.977 -7.118 1.00 0.00 N ATOM 0 H HIS A 49 -6.545 -4.213 -4.317 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.196 -3.701 -6.791 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.615 -2.264 -4.170 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.435 -1.651 -5.312 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.914 -3.061 -6.515 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.784 1.108 -7.283 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.124 -1.030 -7.613 1.00 0.00 H new ATOM 704 N ARG A 50 -2.709 -3.701 -6.243 1.00 0.00 N ATOM 705 CA ARG A 50 -1.302 -4.023 -6.035 1.00 0.00 C ATOM 706 C ARG A 50 -0.502 -2.768 -5.697 1.00 0.00 C ATOM 707 O ARG A 50 -0.824 -1.672 -6.157 1.00 0.00 O ATOM 708 CB ARG A 50 -0.720 -4.691 -7.282 1.00 0.00 C ATOM 709 CG ARG A 50 0.793 -4.827 -7.250 1.00 0.00 C ATOM 710 CD ARG A 50 1.364 -5.026 -8.645 1.00 0.00 C ATOM 711 NE ARG A 50 2.692 -5.633 -8.611 1.00 0.00 N ATOM 712 CZ ARG A 50 3.415 -5.881 -9.698 1.00 0.00 C ATOM 713 NH1 ARG A 50 2.941 -5.574 -10.897 1.00 0.00 N ATOM 714 NH2 ARG A 50 4.615 -6.435 -9.586 1.00 0.00 N ATOM 0 H ARG A 50 -2.902 -3.187 -7.103 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.233 -4.715 -5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.163 -5.681 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.006 -4.113 -8.161 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.230 -3.935 -6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.070 -5.671 -6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.691 -5.658 -9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.418 -4.064 -9.155 1.00 0.00 H new ATOM 0 HE ARG A 50 3.086 -5.880 -7.703 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.019 -5.146 -10.987 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.498 -5.765 -11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.984 -6.671 -8.665 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.169 -6.625 -10.421 1.00 0.00 H new ATOM 728 N ILE A 51 0.540 -2.937 -4.891 1.00 0.00 N ATOM 729 CA ILE A 51 1.386 -1.819 -4.492 1.00 0.00 C ATOM 730 C ILE A 51 2.514 -1.598 -5.495 1.00 0.00 C ATOM 731 O ILE A 51 3.211 -2.538 -5.877 1.00 0.00 O ATOM 732 CB ILE A 51 1.993 -2.043 -3.095 1.00 0.00 C ATOM 733 CG1 ILE A 51 0.898 -2.410 -2.091 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.743 -0.800 -2.637 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.220 -1.393 -2.018 1.00 0.00 C ATOM 0 H ILE A 51 0.819 -3.837 -4.501 1.00 0.00 H new ATOM 0 HA ILE A 51 0.749 -0.935 -4.465 1.00 0.00 H new ATOM 0 HB ILE A 51 2.700 -2.871 -3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.479 -3.380 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.344 -2.519 -1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.166 -0.974 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.545 -0.579 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.055 0.045 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.960 -1.718 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.186 -0.427 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.692 -1.301 -2.996 1.00 0.00 H new ATOM 747 N ILE A 52 2.688 -0.349 -5.915 1.00 0.00 N ATOM 748 CA ILE A 52 3.733 -0.004 -6.870 1.00 0.00 C ATOM 749 C ILE A 52 4.691 1.030 -6.288 1.00 0.00 C ATOM 750 O ILE A 52 5.798 1.216 -6.791 1.00 0.00 O ATOM 751 CB ILE A 52 3.139 0.544 -8.181 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.348 1.826 -7.912 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.252 -0.503 -8.839 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.013 2.603 -9.165 1.00 0.00 C ATOM 0 H ILE A 52 2.119 0.440 -5.609 1.00 0.00 H new ATOM 0 HA ILE A 52 4.280 -0.922 -7.084 1.00 0.00 H new ATOM 0 HB ILE A 52 3.957 0.780 -8.862 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.423 1.571 -7.394 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.923 2.464 -7.241 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.840 -0.101 -9.764 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.842 -1.392 -9.061 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.438 -0.767 -8.164 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.452 3.499 -8.899 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.934 2.889 -9.673 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.411 1.982 -9.828 1.00 0.00 H new ATOM 766 N GLU A 53 4.256 1.698 -5.224 1.00 0.00 N ATOM 767 CA GLU A 53 5.076 2.713 -4.573 1.00 0.00 C ATOM 768 C GLU A 53 4.687 2.867 -3.106 1.00 0.00 C ATOM 769 O GLU A 53 3.555 2.578 -2.719 1.00 0.00 O ATOM 770 CB GLU A 53 4.933 4.055 -5.294 1.00 0.00 C ATOM 771 CG GLU A 53 6.146 4.959 -5.144 1.00 0.00 C ATOM 772 CD GLU A 53 6.211 6.029 -6.216 1.00 0.00 C ATOM 773 OE1 GLU A 53 5.838 5.737 -7.371 1.00 0.00 O ATOM 774 OE2 GLU A 53 6.636 7.160 -5.899 1.00 0.00 O ATOM 0 H GLU A 53 3.342 1.555 -4.795 1.00 0.00 H new ATOM 0 HA GLU A 53 6.116 2.391 -4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.756 3.871 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.055 4.573 -4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.122 5.434 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.052 4.355 -5.184 1.00 0.00 H new ATOM 781 N ILE A 54 5.634 3.324 -2.294 1.00 0.00 N ATOM 782 CA ILE A 54 5.391 3.517 -0.870 1.00 0.00 C ATOM 783 C ILE A 54 6.291 4.610 -0.302 1.00 0.00 C ATOM 784 O ILE A 54 7.514 4.543 -0.415 1.00 0.00 O ATOM 785 CB ILE A 54 5.621 2.217 -0.078 1.00 0.00 C ATOM 786 CG1 ILE A 54 7.119 1.956 0.094 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.951 1.044 -0.779 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.701 2.580 1.343 1.00 0.00 C ATOM 0 H ILE A 54 6.577 3.568 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 54 4.348 3.817 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 54 5.175 2.328 0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.291 0.880 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.649 2.342 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.123 0.132 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.879 1.229 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.371 0.930 -1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.766 2.354 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.560 3.660 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.197 2.175 2.221 1.00 0.00 H new ATOM 800 N ASN A 55 5.675 5.616 0.312 1.00 0.00 N ATOM 801 CA ASN A 55 6.420 6.724 0.899 1.00 0.00 C ATOM 802 C ASN A 55 7.390 7.324 -0.113 1.00 0.00 C ATOM 803 O ASN A 55 8.417 7.893 0.257 1.00 0.00 O ATOM 804 CB ASN A 55 7.185 6.251 2.137 1.00 0.00 C ATOM 805 CG ASN A 55 6.288 5.546 3.137 1.00 0.00 C ATOM 806 OD1 ASN A 55 6.564 4.419 3.547 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.208 6.209 3.533 1.00 0.00 N ATOM 0 H ASN A 55 4.663 5.686 0.416 1.00 0.00 H new ATOM 0 HA ASN A 55 5.707 7.494 1.192 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.984 5.576 1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.658 7.107 2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.567 5.786 4.204 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.019 7.142 3.166 1.00 0.00 H new ATOM 814 N GLY A 56 7.057 7.194 -1.394 1.00 0.00 N ATOM 815 CA GLY A 56 7.908 7.729 -2.440 1.00 0.00 C ATOM 816 C GLY A 56 9.000 6.761 -2.851 1.00 0.00 C ATOM 817 O GLY A 56 9.995 7.159 -3.455 1.00 0.00 O ATOM 0 H GLY A 56 6.213 6.727 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.299 7.975 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.361 8.658 -2.095 1.00 0.00 H new ATOM 821 N GLN A 57 8.814 5.487 -2.521 1.00 0.00 N ATOM 822 CA GLN A 57 9.793 4.461 -2.858 1.00 0.00 C ATOM 823 C GLN A 57 9.180 3.402 -3.770 1.00 0.00 C ATOM 824 O GLN A 57 8.192 2.760 -3.414 1.00 0.00 O ATOM 825 CB GLN A 57 10.334 3.804 -1.586 1.00 0.00 C ATOM 826 CG GLN A 57 11.397 4.630 -0.880 1.00 0.00 C ATOM 827 CD GLN A 57 11.917 3.960 0.376 1.00 0.00 C ATOM 828 OE1 GLN A 57 11.164 3.714 1.319 1.00 0.00 O ATOM 829 NE2 GLN A 57 13.210 3.662 0.396 1.00 0.00 N ATOM 0 H GLN A 57 7.995 5.141 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 57 10.616 4.940 -3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.507 3.627 -0.898 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.752 2.830 -1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.228 4.807 -1.563 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.983 5.605 -0.622 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.797 3.884 -0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.617 3.211 1.215 1.00 0.00 H new ATOM 838 N SER A 58 9.773 3.227 -4.946 1.00 0.00 N ATOM 839 CA SER A 58 9.283 2.249 -5.911 1.00 0.00 C ATOM 840 C SER A 58 9.403 0.833 -5.358 1.00 0.00 C ATOM 841 O SER A 58 10.506 0.331 -5.138 1.00 0.00 O ATOM 842 CB SER A 58 10.059 2.364 -7.224 1.00 0.00 C ATOM 843 OG SER A 58 11.447 2.165 -7.015 1.00 0.00 O ATOM 0 H SER A 58 10.593 3.749 -5.254 1.00 0.00 H new ATOM 0 HA SER A 58 8.230 2.458 -6.100 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.686 1.628 -7.936 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.892 3.347 -7.664 1.00 0.00 H new ATOM 0 HG SER A 58 11.579 1.524 -6.286 1.00 0.00 H new ATOM 849 N VAL A 59 8.260 0.192 -5.135 1.00 0.00 N ATOM 850 CA VAL A 59 8.235 -1.167 -4.608 1.00 0.00 C ATOM 851 C VAL A 59 7.899 -2.174 -5.702 1.00 0.00 C ATOM 852 O VAL A 59 8.108 -3.377 -5.540 1.00 0.00 O ATOM 853 CB VAL A 59 7.213 -1.308 -3.465 1.00 0.00 C ATOM 854 CG1 VAL A 59 7.591 -0.409 -2.297 1.00 0.00 C ATOM 855 CG2 VAL A 59 5.811 -0.989 -3.961 1.00 0.00 C ATOM 0 H VAL A 59 7.339 0.593 -5.311 1.00 0.00 H new ATOM 0 HA VAL A 59 9.233 -1.374 -4.220 1.00 0.00 H new ATOM 0 HB VAL A 59 7.224 -2.341 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.857 -0.522 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.577 -0.689 -1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.610 0.629 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.102 -1.094 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.782 0.034 -4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.543 -1.678 -4.762 1.00 0.00 H new ATOM 865 N VAL A 60 7.377 -1.675 -6.818 1.00 0.00 N ATOM 866 CA VAL A 60 7.012 -2.531 -7.941 1.00 0.00 C ATOM 867 C VAL A 60 8.052 -3.624 -8.159 1.00 0.00 C ATOM 868 O VAL A 60 7.722 -4.736 -8.570 1.00 0.00 O ATOM 869 CB VAL A 60 6.859 -1.718 -9.240 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.015 -0.742 -9.399 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.764 -2.646 -10.441 1.00 0.00 C ATOM 0 H VAL A 60 7.197 -0.682 -6.969 1.00 0.00 H new ATOM 0 HA VAL A 60 6.054 -2.988 -7.692 1.00 0.00 H new ATOM 0 HB VAL A 60 5.935 -1.142 -9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.889 -0.177 -10.322 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.031 -0.056 -8.552 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.954 -1.294 -9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.656 -2.055 -11.350 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.669 -3.250 -10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.899 -3.299 -10.328 1.00 0.00 H new ATOM 881 N ALA A 61 9.311 -3.300 -7.881 1.00 0.00 N ATOM 882 CA ALA A 61 10.400 -4.255 -8.044 1.00 0.00 C ATOM 883 C ALA A 61 10.885 -4.770 -6.694 1.00 0.00 C ATOM 884 O ALA A 61 11.318 -5.917 -6.574 1.00 0.00 O ATOM 885 CB ALA A 61 11.549 -3.619 -8.812 1.00 0.00 C ATOM 0 H ALA A 61 9.602 -2.383 -7.542 1.00 0.00 H new ATOM 0 HA ALA A 61 10.023 -5.105 -8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.355 -4.343 -8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.200 -3.306 -9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.916 -2.751 -8.265 1.00 0.00 H new ATOM 891 N THR A 62 10.810 -3.916 -5.678 1.00 0.00 N ATOM 892 CA THR A 62 11.243 -4.285 -4.336 1.00 0.00 C ATOM 893 C THR A 62 10.658 -5.629 -3.919 1.00 0.00 C ATOM 894 O THR A 62 9.491 -5.930 -4.172 1.00 0.00 O ATOM 895 CB THR A 62 10.837 -3.218 -3.302 1.00 0.00 C ATOM 896 OG1 THR A 62 11.457 -1.966 -3.620 1.00 0.00 O ATOM 897 CG2 THR A 62 11.238 -3.645 -1.898 1.00 0.00 C ATOM 0 H THR A 62 10.453 -2.964 -5.759 1.00 0.00 H new ATOM 0 HA THR A 62 12.330 -4.359 -4.364 1.00 0.00 H new ATOM 0 HB THR A 62 9.753 -3.106 -3.335 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.192 -1.293 -2.959 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.941 -2.876 -1.185 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.742 -4.583 -1.647 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.318 -3.783 -1.854 1.00 0.00 H new ATOM 905 N PRO A 63 11.484 -6.457 -3.263 1.00 0.00 N ATOM 906 CA PRO A 63 11.069 -7.783 -2.796 1.00 0.00 C ATOM 907 C PRO A 63 10.073 -7.706 -1.643 1.00 0.00 C ATOM 908 O PRO A 63 10.181 -6.840 -0.774 1.00 0.00 O ATOM 909 CB PRO A 63 12.379 -8.421 -2.328 1.00 0.00 C ATOM 910 CG PRO A 63 13.257 -7.270 -1.979 1.00 0.00 C ATOM 911 CD PRO A 63 12.887 -6.163 -2.927 1.00 0.00 C ATOM 0 HA PRO A 63 10.559 -8.348 -3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.218 -9.071 -1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.823 -9.034 -3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.106 -6.964 -0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.309 -7.537 -2.082 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.992 -5.183 -2.461 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.521 -6.164 -3.813 1.00 0.00 H new ATOM 919 N HIS A 64 9.105 -8.616 -1.642 1.00 0.00 N ATOM 920 CA HIS A 64 8.090 -8.652 -0.594 1.00 0.00 C ATOM 921 C HIS A 64 8.701 -8.327 0.765 1.00 0.00 C ATOM 922 O HIS A 64 8.279 -7.387 1.438 1.00 0.00 O ATOM 923 CB HIS A 64 7.420 -10.025 -0.550 1.00 0.00 C ATOM 924 CG HIS A 64 6.324 -10.125 0.466 1.00 0.00 C ATOM 925 ND1 HIS A 64 4.992 -9.942 0.157 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.368 -10.391 1.792 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.265 -10.090 1.250 1.00 0.00 C ATOM 928 NE2 HIS A 64 5.076 -10.364 2.256 1.00 0.00 N ATOM 0 H HIS A 64 9.001 -9.338 -2.355 1.00 0.00 H new ATOM 0 HA HIS A 64 7.338 -7.897 -0.825 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.013 -10.253 -1.535 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.174 -10.781 -0.334 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.254 -10.588 2.377 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.190 -10.002 1.311 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.789 -10.529 3.221 1.00 0.00 H new ATOM 936 N ALA A 65 9.697 -9.112 1.164 1.00 0.00 N ATOM 937 CA ALA A 65 10.367 -8.908 2.442 1.00 0.00 C ATOM 938 C ALA A 65 10.460 -7.424 2.781 1.00 0.00 C ATOM 939 O ALA A 65 9.927 -6.974 3.795 1.00 0.00 O ATOM 940 CB ALA A 65 11.753 -9.534 2.418 1.00 0.00 C ATOM 0 H ALA A 65 10.058 -9.896 0.620 1.00 0.00 H new ATOM 0 HA ALA A 65 9.775 -9.395 3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.241 -9.374 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.666 -10.604 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.347 -9.074 1.628 1.00 0.00 H new ATOM 946 N ARG A 66 11.143 -6.668 1.927 1.00 0.00 N ATOM 947 CA ARG A 66 11.308 -5.235 2.138 1.00 0.00 C ATOM 948 C ARG A 66 9.954 -4.549 2.292 1.00 0.00 C ATOM 949 O ARG A 66 9.701 -3.870 3.288 1.00 0.00 O ATOM 950 CB ARG A 66 12.078 -4.612 0.972 1.00 0.00 C ATOM 951 CG ARG A 66 13.585 -4.608 1.170 1.00 0.00 C ATOM 952 CD ARG A 66 13.975 -3.906 2.461 1.00 0.00 C ATOM 953 NE ARG A 66 15.325 -3.353 2.397 1.00 0.00 N ATOM 954 CZ ARG A 66 15.976 -2.878 3.453 1.00 0.00 C ATOM 955 NH1 ARG A 66 15.403 -2.889 4.649 1.00 0.00 N ATOM 956 NH2 ARG A 66 17.202 -2.391 3.314 1.00 0.00 N ATOM 0 H ARG A 66 11.591 -7.024 1.083 1.00 0.00 H new ATOM 0 HA ARG A 66 11.875 -5.091 3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.842 -5.158 0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.736 -3.587 0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.954 -5.634 1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.063 -4.111 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.265 -3.105 2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.911 -4.610 3.290 1.00 0.00 H new ATOM 0 HE ARG A 66 15.794 -3.330 1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.460 -3.263 4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.905 -2.524 5.458 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.646 -2.381 2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.701 -2.026 4.125 1.00 0.00 H new ATOM 970 N ILE A 67 9.088 -4.731 1.301 1.00 0.00 N ATOM 971 CA ILE A 67 7.760 -4.130 1.328 1.00 0.00 C ATOM 972 C ILE A 67 7.179 -4.141 2.738 1.00 0.00 C ATOM 973 O ILE A 67 6.443 -3.233 3.124 1.00 0.00 O ATOM 974 CB ILE A 67 6.792 -4.861 0.380 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.200 -4.633 -1.077 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.364 -4.392 0.616 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.500 -5.554 -2.052 1.00 0.00 C ATOM 0 H ILE A 67 9.282 -5.289 0.470 1.00 0.00 H new ATOM 0 HA ILE A 67 7.874 -3.099 0.993 1.00 0.00 H new ATOM 0 HB ILE A 67 6.841 -5.930 0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.986 -3.599 -1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.277 -4.770 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.692 -4.918 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.078 -4.602 1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.298 -3.320 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.838 -5.336 -3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.734 -6.590 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.423 -5.401 -1.988 1.00 0.00 H new ATOM 989 N ILE A 68 7.517 -5.174 3.502 1.00 0.00 N ATOM 990 CA ILE A 68 7.032 -5.302 4.871 1.00 0.00 C ATOM 991 C ILE A 68 7.829 -4.416 5.822 1.00 0.00 C ATOM 992 O ILE A 68 7.260 -3.619 6.566 1.00 0.00 O ATOM 993 CB ILE A 68 7.107 -6.760 5.360 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.459 -7.698 4.340 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.433 -6.898 6.717 1.00 0.00 C ATOM 996 CD1 ILE A 68 4.965 -7.504 4.204 1.00 0.00 C ATOM 0 H ILE A 68 8.125 -5.934 3.197 1.00 0.00 H new ATOM 0 HA ILE A 68 5.990 -4.982 4.868 1.00 0.00 H new ATOM 0 HB ILE A 68 8.155 -7.038 5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.927 -7.544 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.658 -8.730 4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.494 -7.934 7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.935 -6.255 7.440 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.387 -6.604 6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.573 -8.202 3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.485 -7.687 5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.758 -6.483 3.884 1.00 0.00 H new ATOM 1008 N GLU A 69 9.150 -4.561 5.790 1.00 0.00 N ATOM 1009 CA GLU A 69 10.026 -3.773 6.649 1.00 0.00 C ATOM 1010 C GLU A 69 9.809 -2.280 6.423 1.00 0.00 C ATOM 1011 O GLU A 69 9.620 -1.518 7.372 1.00 0.00 O ATOM 1012 CB GLU A 69 11.490 -4.132 6.389 1.00 0.00 C ATOM 1013 CG GLU A 69 11.937 -5.408 7.084 1.00 0.00 C ATOM 1014 CD GLU A 69 11.960 -5.272 8.594 1.00 0.00 C ATOM 1015 OE1 GLU A 69 12.880 -4.610 9.117 1.00 0.00 O ATOM 1016 OE2 GLU A 69 11.056 -5.829 9.252 1.00 0.00 O ATOM 0 H GLU A 69 9.637 -5.217 5.179 1.00 0.00 H new ATOM 0 HA GLU A 69 9.781 -4.006 7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.644 -4.240 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.122 -3.308 6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.268 -6.222 6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.932 -5.680 6.732 1.00 0.00 H new ATOM 1023 N LEU A 70 9.839 -1.868 5.161 1.00 0.00 N ATOM 1024 CA LEU A 70 9.646 -0.466 4.808 1.00 0.00 C ATOM 1025 C LEU A 70 8.331 0.062 5.373 1.00 0.00 C ATOM 1026 O LEU A 70 8.322 0.928 6.249 1.00 0.00 O ATOM 1027 CB LEU A 70 9.667 -0.293 3.289 1.00 0.00 C ATOM 1028 CG LEU A 70 11.049 -0.159 2.647 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.924 0.017 1.142 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.810 1.007 3.261 1.00 0.00 C ATOM 0 H LEU A 70 9.995 -2.485 4.364 1.00 0.00 H new ATOM 0 HA LEU A 70 10.464 0.108 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.161 -1.147 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.084 0.592 3.036 1.00 0.00 H new ATOM 0 HG LEU A 70 11.609 -1.074 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.917 0.111 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.419 -0.849 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.346 0.916 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.791 1.088 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.253 1.930 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.931 0.839 4.331 1.00 0.00 H new ATOM 1042 N LEU A 71 7.222 -0.466 4.868 1.00 0.00 N ATOM 1043 CA LEU A 71 5.900 -0.050 5.323 1.00 0.00 C ATOM 1044 C LEU A 71 5.849 0.029 6.846 1.00 0.00 C ATOM 1045 O LEU A 71 5.468 1.054 7.413 1.00 0.00 O ATOM 1046 CB LEU A 71 4.835 -1.023 4.816 1.00 0.00 C ATOM 1047 CG LEU A 71 4.220 -0.695 3.455 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.489 -1.905 2.893 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.277 0.494 3.568 1.00 0.00 C ATOM 0 H LEU A 71 7.212 -1.183 4.143 1.00 0.00 H new ATOM 0 HA LEU A 71 5.699 0.942 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.277 -2.018 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.033 -1.069 5.553 1.00 0.00 H new ATOM 0 HG LEU A 71 5.025 -0.431 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.058 -1.652 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.190 -2.731 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.694 -2.200 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.849 0.713 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.477 0.259 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.829 1.363 3.925 1.00 0.00 H new ATOM 1061 N THR A 72 6.237 -1.059 7.503 1.00 0.00 N ATOM 1062 CA THR A 72 6.237 -1.113 8.960 1.00 0.00 C ATOM 1063 C THR A 72 7.083 0.008 9.552 1.00 0.00 C ATOM 1064 O THR A 72 6.668 0.679 10.496 1.00 0.00 O ATOM 1065 CB THR A 72 6.766 -2.465 9.472 1.00 0.00 C ATOM 1066 OG1 THR A 72 5.978 -3.534 8.937 1.00 0.00 O ATOM 1067 CG2 THR A 72 6.735 -2.518 10.992 1.00 0.00 C ATOM 0 H THR A 72 6.555 -1.915 7.049 1.00 0.00 H new ATOM 0 HA THR A 72 5.202 -0.991 9.280 1.00 0.00 H new ATOM 0 HB THR A 72 7.799 -2.574 9.141 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.294 -3.754 8.036 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.113 -3.483 11.330 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.359 -1.721 11.397 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.710 -2.388 11.340 1.00 0.00 H new ATOM 1075 N GLU A 73 8.272 0.206 8.990 1.00 0.00 N ATOM 1076 CA GLU A 73 9.176 1.247 9.464 1.00 0.00 C ATOM 1077 C GLU A 73 8.537 2.626 9.327 1.00 0.00 C ATOM 1078 O GLU A 73 8.829 3.536 10.102 1.00 0.00 O ATOM 1079 CB GLU A 73 10.492 1.203 8.685 1.00 0.00 C ATOM 1080 CG GLU A 73 11.430 0.096 9.137 1.00 0.00 C ATOM 1081 CD GLU A 73 12.697 0.029 8.306 1.00 0.00 C ATOM 1082 OE1 GLU A 73 13.478 1.003 8.337 1.00 0.00 O ATOM 1083 OE2 GLU A 73 12.906 -0.996 7.624 1.00 0.00 O ATOM 0 H GLU A 73 8.631 -0.340 8.207 1.00 0.00 H new ATOM 0 HA GLU A 73 9.380 1.063 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.273 1.072 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.999 2.162 8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.694 0.253 10.183 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.911 -0.861 9.079 1.00 0.00 H new ATOM 1090 N ALA A 74 7.665 2.772 8.335 1.00 0.00 N ATOM 1091 CA ALA A 74 6.984 4.038 8.097 1.00 0.00 C ATOM 1092 C ALA A 74 5.937 4.310 9.173 1.00 0.00 C ATOM 1093 O ALA A 74 4.996 3.536 9.346 1.00 0.00 O ATOM 1094 CB ALA A 74 6.339 4.040 6.719 1.00 0.00 C ATOM 0 H ALA A 74 7.414 2.029 7.683 1.00 0.00 H new ATOM 0 HA ALA A 74 7.727 4.835 8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.834 4.992 6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.107 3.901 5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.614 3.229 6.656 1.00 0.00 H new ATOM 1100 N TYR A 75 6.109 5.413 9.894 1.00 0.00 N ATOM 1101 CA TYR A 75 5.181 5.784 10.955 1.00 0.00 C ATOM 1102 C TYR A 75 4.400 7.040 10.581 1.00 0.00 C ATOM 1103 O TYR A 75 4.695 7.694 9.582 1.00 0.00 O ATOM 1104 CB TYR A 75 5.936 6.011 12.265 1.00 0.00 C ATOM 1105 CG TYR A 75 7.027 4.995 12.519 1.00 0.00 C ATOM 1106 CD1 TYR A 75 6.720 3.710 12.951 1.00 0.00 C ATOM 1107 CD2 TYR A 75 8.364 5.320 12.329 1.00 0.00 C ATOM 1108 CE1 TYR A 75 7.714 2.779 13.184 1.00 0.00 C ATOM 1109 CE2 TYR A 75 9.364 4.395 12.559 1.00 0.00 C ATOM 1110 CZ TYR A 75 9.034 3.126 12.987 1.00 0.00 C ATOM 1111 OH TYR A 75 10.027 2.202 13.218 1.00 0.00 O ATOM 0 H TYR A 75 6.882 6.065 9.763 1.00 0.00 H new ATOM 0 HA TYR A 75 4.474 4.965 11.088 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.376 7.008 12.253 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.227 5.985 13.092 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.687 3.435 13.107 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.626 6.313 11.996 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.458 1.784 13.519 1.00 0.00 H new ATOM 0 HE2 TYR A 75 10.398 4.664 12.405 1.00 0.00 H new ATOM 0 HH TYR A 75 10.900 2.606 13.031 1.00 0.00 H new ATOM 1121 N GLY A 76 3.400 7.372 11.393 1.00 0.00 N ATOM 1122 CA GLY A 76 2.592 8.548 11.132 1.00 0.00 C ATOM 1123 C GLY A 76 1.937 8.510 9.766 1.00 0.00 C ATOM 1124 O GLY A 76 1.201 7.576 9.450 1.00 0.00 O ATOM 0 H GLY A 76 3.136 6.847 12.227 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.822 8.633 11.899 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.217 9.438 11.207 1.00 0.00 H new ATOM 1128 N GLU A 77 2.203 9.530 8.955 1.00 0.00 N ATOM 1129 CA GLU A 77 1.631 9.609 7.616 1.00 0.00 C ATOM 1130 C GLU A 77 2.334 8.644 6.666 1.00 0.00 C ATOM 1131 O GLU A 77 3.495 8.843 6.308 1.00 0.00 O ATOM 1132 CB GLU A 77 1.734 11.038 7.078 1.00 0.00 C ATOM 1133 CG GLU A 77 0.648 11.389 6.074 1.00 0.00 C ATOM 1134 CD GLU A 77 0.927 12.690 5.346 1.00 0.00 C ATOM 1135 OE1 GLU A 77 2.110 12.970 5.060 1.00 0.00 O ATOM 1136 OE2 GLU A 77 -0.040 13.428 5.061 1.00 0.00 O ATOM 0 H GLU A 77 2.810 10.312 9.202 1.00 0.00 H new ATOM 0 HA GLU A 77 0.580 9.327 7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.685 11.736 7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.709 11.171 6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.556 10.582 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.309 11.464 6.590 1.00 0.00 H new ATOM 1143 N VAL A 78 1.622 7.597 6.262 1.00 0.00 N ATOM 1144 CA VAL A 78 2.176 6.601 5.353 1.00 0.00 C ATOM 1145 C VAL A 78 1.477 6.643 3.999 1.00 0.00 C ATOM 1146 O VAL A 78 0.295 6.315 3.888 1.00 0.00 O ATOM 1147 CB VAL A 78 2.056 5.180 5.937 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.644 4.157 4.977 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.738 5.103 7.294 1.00 0.00 C ATOM 0 H VAL A 78 0.660 7.417 6.550 1.00 0.00 H new ATOM 0 HA VAL A 78 3.230 6.844 5.222 1.00 0.00 H new ATOM 0 HB VAL A 78 0.999 4.950 6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.550 3.159 5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.107 4.196 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.697 4.381 4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.644 4.093 7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.793 5.353 7.186 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.267 5.808 7.979 1.00 0.00 H new ATOM 1159 N HIS A 79 2.215 7.048 2.970 1.00 0.00 N ATOM 1160 CA HIS A 79 1.666 7.132 1.621 1.00 0.00 C ATOM 1161 C HIS A 79 1.814 5.800 0.891 1.00 0.00 C ATOM 1162 O HIS A 79 2.928 5.337 0.646 1.00 0.00 O ATOM 1163 CB HIS A 79 2.363 8.240 0.832 1.00 0.00 C ATOM 1164 CG HIS A 79 2.164 9.606 1.414 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.774 10.694 0.663 1.00 0.00 N ATOM 1166 CD2 HIS A 79 2.301 10.056 2.683 1.00 0.00 C ATOM 1167 CE1 HIS A 79 1.682 11.756 1.444 1.00 0.00 C ATOM 1168 NE2 HIS A 79 1.996 11.395 2.675 1.00 0.00 N ATOM 0 H HIS A 79 3.194 7.323 3.045 1.00 0.00 H new ATOM 0 HA HIS A 79 0.605 7.367 1.701 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.431 8.026 0.786 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.992 8.233 -0.193 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.586 10.681 -0.339 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.595 9.471 3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.398 12.749 1.129 1.00 0.00 H new ATOM 1176 N ILE A 80 0.685 5.191 0.547 1.00 0.00 N ATOM 1177 CA ILE A 80 0.690 3.914 -0.156 1.00 0.00 C ATOM 1178 C ILE A 80 0.030 4.037 -1.525 1.00 0.00 C ATOM 1179 O ILE A 80 -1.181 4.237 -1.627 1.00 0.00 O ATOM 1180 CB ILE A 80 -0.034 2.823 0.655 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.730 2.524 1.946 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.190 1.560 -0.179 1.00 0.00 C ATOM 1183 CD1 ILE A 80 -0.096 1.796 2.983 1.00 0.00 C ATOM 0 H ILE A 80 -0.245 5.561 0.743 1.00 0.00 H new ATOM 0 HA ILE A 80 1.734 3.628 -0.284 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.027 3.186 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.609 1.925 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.089 3.461 2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.703 0.798 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.772 1.784 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.794 1.192 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.510 1.618 3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.961 2.402 3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.433 0.843 2.576 1.00 0.00 H new ATOM 1195 N LYS A 81 0.833 3.914 -2.576 1.00 0.00 N ATOM 1196 CA LYS A 81 0.328 4.008 -3.941 1.00 0.00 C ATOM 1197 C LYS A 81 -0.207 2.661 -4.417 1.00 0.00 C ATOM 1198 O LYS A 81 0.557 1.719 -4.634 1.00 0.00 O ATOM 1199 CB LYS A 81 1.432 4.493 -4.883 1.00 0.00 C ATOM 1200 CG LYS A 81 0.912 5.274 -6.078 1.00 0.00 C ATOM 1201 CD LYS A 81 1.937 6.279 -6.575 1.00 0.00 C ATOM 1202 CE LYS A 81 1.269 7.490 -7.208 1.00 0.00 C ATOM 1203 NZ LYS A 81 1.044 7.300 -8.667 1.00 0.00 N ATOM 0 H LYS A 81 1.837 3.749 -2.509 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.491 4.728 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.126 5.120 -4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.997 3.632 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.658 4.584 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.005 5.794 -5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.565 6.601 -5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.593 5.802 -7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.315 7.678 -6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.889 8.372 -7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.552 8.038 -9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.396 6.364 -8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.027 7.365 -8.873 1.00 0.00 H new ATOM 1217 N THR A 82 -1.523 2.576 -4.580 1.00 0.00 N ATOM 1218 CA THR A 82 -2.160 1.344 -5.031 1.00 0.00 C ATOM 1219 C THR A 82 -2.478 1.404 -6.520 1.00 0.00 C ATOM 1220 O THR A 82 -2.749 2.474 -7.065 1.00 0.00 O ATOM 1221 CB THR A 82 -3.458 1.064 -4.251 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.305 2.218 -4.279 1.00 0.00 O ATOM 1223 CG2 THR A 82 -3.152 0.688 -2.809 1.00 0.00 C ATOM 0 H THR A 82 -2.169 3.346 -4.407 1.00 0.00 H new ATOM 0 HA THR A 82 -1.453 0.536 -4.845 1.00 0.00 H new ATOM 0 HB THR A 82 -3.969 0.227 -4.727 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.916 2.895 -4.871 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.084 0.495 -2.278 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.531 -0.208 -2.790 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.621 1.507 -2.324 1.00 0.00 H new ATOM 1231 N MET A 83 -2.445 0.248 -7.175 1.00 0.00 N ATOM 1232 CA MET A 83 -2.732 0.169 -8.602 1.00 0.00 C ATOM 1233 C MET A 83 -3.131 -1.249 -8.999 1.00 0.00 C ATOM 1234 O MET A 83 -2.571 -2.235 -8.519 1.00 0.00 O ATOM 1235 CB MET A 83 -1.515 0.615 -9.415 1.00 0.00 C ATOM 1236 CG MET A 83 -1.874 1.250 -10.748 1.00 0.00 C ATOM 1237 SD MET A 83 -0.498 2.158 -11.478 1.00 0.00 S ATOM 1238 CE MET A 83 -1.252 2.760 -12.987 1.00 0.00 C ATOM 0 H MET A 83 -2.222 -0.647 -6.740 1.00 0.00 H new ATOM 0 HA MET A 83 -3.567 0.836 -8.816 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.937 1.327 -8.827 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.872 -0.247 -9.594 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.200 0.473 -11.440 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.717 1.926 -10.608 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.529 3.358 -13.542 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.569 1.915 -13.598 1.00 0.00 H new ATOM 0 HE3 MET A 83 -2.118 3.375 -12.741 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.122 -1.357 -9.896 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.617 -2.650 -10.377 1.00 0.00 C ATOM 1250 C PRO A 84 -3.604 -3.365 -11.265 1.00 0.00 C ATOM 1251 O PRO A 84 -3.168 -2.827 -12.282 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.864 -2.275 -11.183 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.627 -0.869 -11.615 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.835 -0.224 -10.511 1.00 0.00 C ATOM 0 HA PRO A 84 -4.814 -3.341 -9.558 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.995 -2.936 -12.040 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.766 -2.356 -10.577 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.080 -0.837 -12.557 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.570 -0.346 -11.776 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.143 0.524 -10.897 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.482 0.280 -9.794 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.235 -4.580 -10.873 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.275 -5.369 -11.635 1.00 0.00 C ATOM 1264 C ALA A 85 -2.572 -5.302 -13.129 1.00 0.00 C ATOM 1265 O ALA A 85 -1.671 -5.101 -13.942 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.283 -6.814 -11.158 1.00 0.00 C ATOM 0 H ALA A 85 -3.586 -5.039 -10.033 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.283 -4.948 -11.469 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.562 -7.392 -11.736 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.015 -6.850 -10.102 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.278 -7.237 -11.294 1.00 0.00 H new ATOM 1272 N ALA A 86 -3.842 -5.472 -13.484 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.257 -5.429 -14.880 1.00 0.00 C ATOM 1274 C ALA A 86 -3.670 -4.214 -15.590 1.00 0.00 C ATOM 1275 O ALA A 86 -2.831 -4.347 -16.482 1.00 0.00 O ATOM 1276 CB ALA A 86 -5.775 -5.419 -14.979 1.00 0.00 C ATOM 0 H ALA A 86 -4.601 -5.641 -12.823 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.878 -6.324 -15.374 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.071 -5.387 -16.028 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.176 -6.321 -14.516 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.167 -4.542 -14.464 1.00 0.00 H new ATOM 1282 N THR A 87 -4.118 -3.028 -15.191 1.00 0.00 N ATOM 1283 CA THR A 87 -3.639 -1.789 -15.790 1.00 0.00 C ATOM 1284 C THR A 87 -2.115 -1.741 -15.812 1.00 0.00 C ATOM 1285 O THR A 87 -1.495 -1.862 -16.869 1.00 0.00 O ATOM 1286 CB THR A 87 -4.169 -0.556 -15.033 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.596 -0.619 -14.934 1.00 0.00 O ATOM 1288 CG2 THR A 87 -3.760 0.729 -15.738 1.00 0.00 C ATOM 0 H THR A 87 -4.812 -2.900 -14.455 1.00 0.00 H new ATOM 0 HA THR A 87 -4.015 -1.768 -16.813 1.00 0.00 H new ATOM 0 HB THR A 87 -3.735 -0.556 -14.033 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.925 0.167 -14.450 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.145 1.586 -15.185 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.673 0.787 -15.786 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.169 0.735 -16.749 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.517 -1.566 -14.639 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.065 -1.501 -14.523 1.00 0.00 C ATOM 1298 C TYR A 88 0.602 -2.483 -15.481 1.00 0.00 C ATOM 1299 O TYR A 88 1.314 -2.083 -16.402 1.00 0.00 O ATOM 1300 CB TYR A 88 0.367 -1.798 -13.086 1.00 0.00 C ATOM 1301 CG TYR A 88 1.644 -1.098 -12.681 1.00 0.00 C ATOM 1302 CD1 TYR A 88 1.839 0.249 -12.958 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.657 -1.785 -12.021 1.00 0.00 C ATOM 1304 CE1 TYR A 88 3.005 0.893 -12.590 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.825 -1.149 -11.649 1.00 0.00 C ATOM 1306 CZ TYR A 88 3.995 0.190 -11.935 1.00 0.00 C ATOM 1307 OH TYR A 88 5.158 0.826 -11.567 1.00 0.00 O ATOM 0 H TYR A 88 -2.015 -1.467 -13.755 1.00 0.00 H new ATOM 0 HA TYR A 88 0.251 -0.492 -14.788 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.432 -1.501 -12.407 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.500 -2.874 -12.970 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.066 0.803 -13.470 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.528 -2.833 -11.796 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.140 1.941 -12.814 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.602 -1.697 -11.137 1.00 0.00 H new ATOM 0 HH TYR A 88 5.750 0.189 -11.115 1.00 0.00 H new ATOM 1317 N ARG A 89 0.366 -3.772 -15.255 1.00 0.00 N ATOM 1318 CA ARG A 89 0.944 -4.813 -16.097 1.00 0.00 C ATOM 1319 C ARG A 89 0.810 -4.455 -17.574 1.00 0.00 C ATOM 1320 O ARG A 89 1.756 -4.605 -18.349 1.00 0.00 O ATOM 1321 CB ARG A 89 0.264 -6.155 -15.823 1.00 0.00 C ATOM 1322 CG ARG A 89 0.691 -6.799 -14.514 1.00 0.00 C ATOM 1323 CD ARG A 89 0.344 -8.279 -14.481 1.00 0.00 C ATOM 1324 NE ARG A 89 -0.993 -8.516 -13.942 1.00 0.00 N ATOM 1325 CZ ARG A 89 -2.105 -8.410 -14.661 1.00 0.00 C ATOM 1326 NH1 ARG A 89 -2.040 -8.073 -15.942 1.00 0.00 N ATOM 1327 NH2 ARG A 89 -3.284 -8.641 -14.099 1.00 0.00 N ATOM 0 H ARG A 89 -0.221 -4.120 -14.497 1.00 0.00 H new ATOM 0 HA ARG A 89 2.004 -4.894 -15.856 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.816 -6.009 -15.811 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.484 -6.838 -16.643 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.765 -6.673 -14.379 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.203 -6.291 -13.682 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.406 -8.688 -15.489 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.078 -8.810 -13.875 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.077 -8.777 -12.960 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.135 -7.895 -16.377 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.895 -7.992 -16.492 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.337 -8.900 -13.114 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.137 -8.559 -14.652 1.00 0.00 H new ATOM 1341 N LEU A 90 -0.370 -3.980 -17.958 1.00 0.00 N ATOM 1342 CA LEU A 90 -0.629 -3.601 -19.342 1.00 0.00 C ATOM 1343 C LEU A 90 0.200 -2.383 -19.737 1.00 0.00 C ATOM 1344 O LEU A 90 0.595 -2.235 -20.894 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.116 -3.306 -19.542 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.009 -4.515 -19.820 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -4.467 -4.093 -19.911 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -2.574 -5.217 -21.098 1.00 0.00 C ATOM 0 H LEU A 90 -1.163 -3.848 -17.330 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.342 -4.436 -19.981 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.489 -2.802 -18.651 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.219 -2.606 -20.371 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.907 -5.216 -18.991 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.087 -4.967 -20.109 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.773 -3.637 -18.970 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.587 -3.372 -20.719 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.221 -6.075 -21.280 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.646 -4.524 -21.936 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.543 -5.555 -20.994 1.00 0.00 H new ATOM 1360 N LEU A 91 0.463 -1.513 -18.768 1.00 0.00 N ATOM 1361 CA LEU A 91 1.248 -0.308 -19.013 1.00 0.00 C ATOM 1362 C LEU A 91 2.729 -0.642 -19.151 1.00 0.00 C ATOM 1363 O LEU A 91 3.455 0.003 -19.909 1.00 0.00 O ATOM 1364 CB LEU A 91 1.043 0.697 -17.878 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.408 1.043 -17.541 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.518 1.543 -16.109 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -0.949 2.080 -18.513 1.00 0.00 C ATOM 0 H LEU A 91 0.144 -1.620 -17.805 1.00 0.00 H new ATOM 0 HA LEU A 91 0.906 0.135 -19.948 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.519 0.303 -16.980 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.564 1.618 -18.137 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.009 0.138 -17.636 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.557 1.784 -15.887 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.171 0.768 -15.425 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.096 2.435 -15.987 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.983 2.314 -18.258 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.346 2.986 -18.451 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.907 1.684 -19.528 1.00 0.00 H new ATOM 1379 N THR A 92 3.174 -1.655 -18.414 1.00 0.00 N ATOM 1380 CA THR A 92 4.568 -2.076 -18.454 1.00 0.00 C ATOM 1381 C THR A 92 4.772 -3.210 -19.453 1.00 0.00 C ATOM 1382 O THR A 92 5.829 -3.838 -19.487 1.00 0.00 O ATOM 1383 CB THR A 92 5.058 -2.534 -17.067 1.00 0.00 C ATOM 1384 OG1 THR A 92 4.194 -3.556 -16.557 1.00 0.00 O ATOM 1385 CG2 THR A 92 5.099 -1.365 -16.095 1.00 0.00 C ATOM 0 H THR A 92 2.588 -2.199 -17.781 1.00 0.00 H new ATOM 0 HA THR A 92 5.150 -1.210 -18.768 1.00 0.00 H new ATOM 0 HB THR A 92 6.067 -2.932 -17.174 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.512 -3.844 -15.676 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.448 -1.712 -15.123 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.779 -0.601 -16.473 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.100 -0.942 -15.992 1.00 0.00 H new ATOM 1393 N GLY A 93 3.751 -3.467 -20.265 1.00 0.00 N ATOM 1394 CA GLY A 93 3.839 -4.526 -21.254 1.00 0.00 C ATOM 1395 C GLY A 93 5.180 -4.549 -21.961 1.00 0.00 C ATOM 1396 O GLY A 93 5.649 -3.521 -22.448 1.00 0.00 O ATOM 0 H GLY A 93 2.865 -2.961 -20.256 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.671 -5.487 -20.768 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.046 -4.398 -21.990 1.00 0.00 H new ATOM 1400 N GLN A 94 5.797 -5.725 -22.017 1.00 0.00 N ATOM 1401 CA GLN A 94 7.093 -5.876 -22.667 1.00 0.00 C ATOM 1402 C GLN A 94 6.961 -5.744 -24.181 1.00 0.00 C ATOM 1403 O GLN A 94 5.863 -5.550 -24.704 1.00 0.00 O ATOM 1404 CB GLN A 94 7.710 -7.230 -22.314 1.00 0.00 C ATOM 1405 CG GLN A 94 8.511 -7.215 -21.021 1.00 0.00 C ATOM 1406 CD GLN A 94 9.971 -6.872 -21.243 1.00 0.00 C ATOM 1407 OE1 GLN A 94 10.308 -5.741 -21.596 1.00 0.00 O ATOM 1408 NE2 GLN A 94 10.847 -7.848 -21.037 1.00 0.00 N ATOM 0 H GLN A 94 5.421 -6.586 -21.620 1.00 0.00 H new ATOM 0 HA GLN A 94 7.747 -5.082 -22.306 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.915 -7.971 -22.231 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.359 -7.548 -23.130 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.072 -6.491 -20.334 1.00 0.00 H new ATOM 0 HG3 GLN A 94 8.440 -8.192 -20.543 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.524 -8.770 -20.745 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.843 -7.676 -21.171 1.00 0.00 H new TER 1417 GLN A 94