USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 919 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 34 LYS NZ :NH3+ -134:sc= 0.18 (180deg=-0.66) USER MOD Set 1.2: A 107 THR OG1 : rot 106:sc= 0.181 USER MOD Set 2.1: A 94 HIS : no HD1:sc= -0.66 K(o=-1.1,f=-3.1) USER MOD Set 2.2: A 98 LYS NZ :NH3+ -163:sc= -0.436 (180deg=-0.403) USER MOD Set 3.1: A 43 SER OG : rot -84:sc= 0.0121 USER MOD Set 3.2: A 45 SER OG : rot 180:sc= 0.0135 USER MOD Set 4.1: A 13 LYS NZ :NH3+ 160:sc= -0.071 (180deg=0) USER MOD Set 4.2: A 112 ASN : amide:sc= -1.84 K(o=-1.9,f=-6.2!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.099 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 18 THR OG1 : rot -62:sc= 0.694 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.5!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -4.01! C(o=-4!,f=-4.6!) USER MOD Single : A 37 SER OG : rot -68:sc= 0.144 USER MOD Single : A 46 ASN : amide:sc= -12.3! C(o=-12!,f=-13!) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0212) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= -0.185 (180deg=-0.624) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 59 THR OG1 : rot -30:sc= 0.461 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= 0.05 (180deg=0) USER MOD Single : A 66 HIS : no HE2:sc= -0.863 K(o=-0.86,f=-2.8!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.027 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 48:sc= 0.383 USER MOD Single : A 74 ASN : amide:sc= -0.106 K(o=-0.11,f=-3.4!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.521 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.885 F(o=-4.4!,f=-0.88) USER MOD Single : A 93 GLN : amide:sc= -0.63 K(o=-0.63,f=-4.1!) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.419 USER MOD Single : A 96 SER OG : rot 42:sc= 0.79 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 CYS SG : rot -35:sc= 0.724 USER MOD Single : A 104 GLN : amide:sc= -0.155 K(o=-0.15,f=-1) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 180:sc= -2.38! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.375 7.769 -37.634 1.00 0.00 N ATOM 2 CA GLY A 1 -14.700 6.501 -37.382 1.00 0.00 C ATOM 3 C GLY A 1 -13.280 6.711 -36.883 1.00 0.00 C ATOM 4 O GLY A 1 -12.879 7.830 -36.590 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.257 7.808 -37.084 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.755 8.555 -37.351 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.596 7.850 -38.647 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.264 5.928 -36.646 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.681 5.910 -38.298 1.00 0.00 H new ATOM 10 N SER A 2 -12.553 5.579 -36.800 1.00 0.00 N ATOM 11 CA SER A 2 -11.166 5.628 -36.333 1.00 0.00 C ATOM 12 C SER A 2 -11.153 5.993 -34.827 1.00 0.00 C ATOM 13 O SER A 2 -10.846 7.116 -34.447 1.00 0.00 O ATOM 14 CB SER A 2 -10.314 6.647 -37.144 1.00 0.00 C ATOM 15 OG SER A 2 -10.630 6.477 -38.609 1.00 0.00 O ATOM 0 H SER A 2 -12.895 4.650 -37.043 1.00 0.00 H new ATOM 0 HA SER A 2 -10.718 4.646 -36.484 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.536 7.665 -36.824 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.252 6.481 -36.964 1.00 0.00 H new ATOM 0 HG SER A 2 -10.102 7.114 -39.134 1.00 0.00 H new ATOM 21 N VAL A 3 -11.504 4.990 -34.002 1.00 0.00 N ATOM 22 CA VAL A 3 -11.552 5.246 -32.562 1.00 0.00 C ATOM 23 C VAL A 3 -10.222 4.909 -31.882 1.00 0.00 C ATOM 24 O VAL A 3 -9.715 5.697 -31.097 1.00 0.00 O ATOM 25 CB VAL A 3 -12.729 4.476 -31.941 1.00 0.00 C ATOM 26 CG1 VAL A 3 -14.073 4.956 -32.519 1.00 0.00 C ATOM 27 CG2 VAL A 3 -12.565 2.954 -32.099 1.00 0.00 C ATOM 0 H VAL A 3 -11.746 4.043 -34.292 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.714 6.312 -32.400 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.728 4.690 -30.872 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -14.887 4.394 -32.062 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -14.201 6.018 -32.308 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -14.083 4.797 -33.597 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.418 2.447 -31.647 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.513 2.702 -33.158 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.648 2.634 -31.604 1.00 0.00 H new ATOM 37 N ALA A 4 -9.700 3.708 -32.224 1.00 0.00 N ATOM 38 CA ALA A 4 -8.451 3.229 -31.642 1.00 0.00 C ATOM 39 C ALA A 4 -8.684 2.952 -30.138 1.00 0.00 C ATOM 40 O ALA A 4 -8.325 3.752 -29.284 1.00 0.00 O ATOM 41 CB ALA A 4 -7.323 4.242 -31.874 1.00 0.00 C ATOM 0 H ALA A 4 -10.128 3.068 -32.893 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.141 2.302 -32.125 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.400 3.866 -31.432 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.180 4.388 -32.945 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.586 5.192 -31.410 1.00 0.00 H new ATOM 47 N PRO A 5 -9.328 1.788 -29.845 1.00 0.00 N ATOM 48 CA PRO A 5 -9.639 1.414 -28.467 1.00 0.00 C ATOM 49 C PRO A 5 -8.385 1.198 -27.605 1.00 0.00 C ATOM 50 O PRO A 5 -8.186 1.847 -26.587 1.00 0.00 O ATOM 51 CB PRO A 5 -10.473 0.123 -28.576 1.00 0.00 C ATOM 52 CG PRO A 5 -10.456 -0.305 -30.050 1.00 0.00 C ATOM 53 CD PRO A 5 -9.742 0.794 -30.834 1.00 0.00 C ATOM 0 HA PRO A 5 -10.180 2.216 -27.964 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -10.055 -0.660 -27.943 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -11.495 0.295 -28.237 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.940 -1.258 -30.167 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.471 -0.444 -30.421 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -8.881 0.395 -31.370 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.404 1.236 -31.578 1.00 0.00 H new ATOM 61 N VAL A 6 -7.564 0.243 -28.093 1.00 0.00 N ATOM 62 CA VAL A 6 -6.329 -0.083 -27.391 1.00 0.00 C ATOM 63 C VAL A 6 -5.217 0.881 -27.799 1.00 0.00 C ATOM 64 O VAL A 6 -4.509 1.404 -26.949 1.00 0.00 O ATOM 65 CB VAL A 6 -5.906 -1.540 -27.657 1.00 0.00 C ATOM 66 CG1 VAL A 6 -5.653 -1.820 -29.149 1.00 0.00 C ATOM 67 CG2 VAL A 6 -4.661 -1.905 -26.828 1.00 0.00 C ATOM 0 H VAL A 6 -7.735 -0.294 -28.943 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.509 0.023 -26.321 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.741 -2.170 -27.348 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.358 -2.861 -29.279 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.565 -1.628 -29.715 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.857 -1.169 -29.511 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.379 -2.938 -27.031 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.837 -1.244 -27.098 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.884 -1.791 -25.767 1.00 0.00 H new ATOM 77 N GLU A 7 -5.100 1.064 -29.138 1.00 0.00 N ATOM 78 CA GLU A 7 -4.078 1.934 -29.709 1.00 0.00 C ATOM 79 C GLU A 7 -2.695 1.260 -29.715 1.00 0.00 C ATOM 80 O GLU A 7 -2.190 0.865 -30.759 1.00 0.00 O ATOM 81 CB GLU A 7 -4.071 3.301 -29.014 1.00 0.00 C ATOM 82 CG GLU A 7 -3.437 4.390 -29.880 1.00 0.00 C ATOM 83 CD GLU A 7 -3.823 5.765 -29.322 1.00 0.00 C ATOM 84 OE1 GLU A 7 -3.126 6.258 -28.437 1.00 0.00 O ATOM 85 OE2 GLU A 7 -4.825 6.318 -29.774 1.00 0.00 O ATOM 0 H GLU A 7 -5.704 0.617 -29.828 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.330 2.112 -30.754 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.094 3.586 -28.767 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.526 3.225 -28.073 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.353 4.279 -29.889 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.776 4.294 -30.912 1.00 0.00 H new ATOM 92 N THR A 8 -2.121 1.146 -28.496 1.00 0.00 N ATOM 93 CA THR A 8 -0.807 0.531 -28.349 1.00 0.00 C ATOM 94 C THR A 8 -0.603 -0.014 -26.921 1.00 0.00 C ATOM 95 O THR A 8 -0.411 -1.208 -26.736 1.00 0.00 O ATOM 96 CB THR A 8 0.320 1.544 -28.752 1.00 0.00 C ATOM 97 OG1 THR A 8 0.075 2.234 -30.027 1.00 0.00 O ATOM 98 CG2 THR A 8 1.729 0.908 -28.464 1.00 0.00 C ATOM 0 H THR A 8 -2.545 1.467 -27.626 1.00 0.00 H new ATOM 0 HA THR A 8 -0.747 -0.321 -29.027 1.00 0.00 H new ATOM 0 HB THR A 8 0.304 2.422 -28.107 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.815 2.849 -30.214 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.511 1.614 -28.745 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.813 0.676 -27.402 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.841 -0.007 -29.045 1.00 0.00 H new ATOM 106 N LEU A 9 -0.619 0.916 -25.941 1.00 0.00 N ATOM 107 CA LEU A 9 -0.413 0.509 -24.555 1.00 0.00 C ATOM 108 C LEU A 9 -1.645 -0.267 -24.041 1.00 0.00 C ATOM 109 O LEU A 9 -2.707 -0.264 -24.652 1.00 0.00 O ATOM 110 CB LEU A 9 -0.112 1.739 -23.678 1.00 0.00 C ATOM 111 CG LEU A 9 0.846 1.423 -22.516 1.00 0.00 C ATOM 112 CD1 LEU A 9 2.287 1.275 -23.018 1.00 0.00 C ATOM 113 CD2 LEU A 9 0.761 2.486 -21.411 1.00 0.00 C ATOM 0 H LEU A 9 -0.767 1.915 -26.085 1.00 0.00 H new ATOM 0 HA LEU A 9 0.448 -0.157 -24.500 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.322 2.524 -24.298 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.047 2.130 -23.276 1.00 0.00 H new ATOM 0 HG LEU A 9 0.535 0.472 -22.085 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.944 1.052 -22.177 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.338 0.463 -23.744 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.605 2.204 -23.490 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.451 2.231 -20.607 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.027 3.460 -21.822 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.255 2.523 -21.019 1.00 0.00 H new ATOM 125 N GLU A 10 -1.416 -0.926 -22.884 1.00 0.00 N ATOM 126 CA GLU A 10 -2.452 -1.721 -22.239 1.00 0.00 C ATOM 127 C GLU A 10 -2.900 -1.033 -20.944 1.00 0.00 C ATOM 128 O GLU A 10 -4.031 -0.584 -20.821 1.00 0.00 O ATOM 129 CB GLU A 10 -1.905 -3.128 -21.968 1.00 0.00 C ATOM 130 CG GLU A 10 -2.970 -4.062 -21.374 1.00 0.00 C ATOM 131 CD GLU A 10 -2.364 -5.424 -21.010 1.00 0.00 C ATOM 132 OE1 GLU A 10 -1.619 -5.979 -21.818 1.00 0.00 O ATOM 133 OE2 GLU A 10 -2.639 -5.913 -19.916 1.00 0.00 O ATOM 0 H GLU A 10 -0.524 -0.916 -22.390 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.323 -1.808 -22.888 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.528 -3.555 -22.898 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.060 -3.061 -21.283 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.406 -3.605 -20.486 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.779 -4.200 -22.091 1.00 0.00 H new ATOM 140 N VAL A 11 -1.943 -0.997 -19.991 1.00 0.00 N ATOM 141 CA VAL A 11 -2.186 -0.393 -18.686 1.00 0.00 C ATOM 142 C VAL A 11 -0.896 0.261 -18.191 1.00 0.00 C ATOM 143 O VAL A 11 -0.708 1.456 -18.390 1.00 0.00 O ATOM 144 CB VAL A 11 -2.778 -1.407 -17.680 1.00 0.00 C ATOM 145 CG1 VAL A 11 -4.285 -1.593 -17.903 1.00 0.00 C ATOM 146 CG2 VAL A 11 -2.070 -2.780 -17.704 1.00 0.00 C ATOM 0 H VAL A 11 -1.005 -1.379 -20.111 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.945 0.383 -18.782 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.607 -0.976 -16.693 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.674 -2.311 -17.181 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.793 -0.637 -17.773 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.460 -1.963 -18.913 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.536 -3.442 -16.974 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.157 -3.217 -18.699 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.017 -2.651 -17.456 1.00 0.00 H new ATOM 156 N GLU A 12 -0.030 -0.553 -17.534 1.00 0.00 N ATOM 157 CA GLU A 12 1.226 -0.018 -17.026 1.00 0.00 C ATOM 158 C GLU A 12 0.962 1.031 -15.985 1.00 0.00 C ATOM 159 O GLU A 12 -0.167 1.441 -15.773 1.00 0.00 O ATOM 160 CB GLU A 12 2.129 0.439 -18.169 1.00 0.00 C ATOM 161 CG GLU A 12 2.476 -0.709 -19.133 1.00 0.00 C ATOM 162 CD GLU A 12 3.685 -1.496 -18.602 1.00 0.00 C ATOM 163 OE1 GLU A 12 4.790 -0.952 -18.622 1.00 0.00 O ATOM 164 OE2 GLU A 12 3.509 -2.631 -18.164 1.00 0.00 O ATOM 0 H GLU A 12 -0.184 -1.545 -17.356 1.00 0.00 H new ATOM 0 HA GLU A 12 1.784 -0.806 -16.521 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.635 1.238 -18.722 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.048 0.856 -17.758 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.619 -1.374 -19.243 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.698 -0.309 -20.122 1.00 0.00 H new ATOM 171 N LYS A 13 2.065 1.363 -15.291 1.00 0.00 N ATOM 172 CA LYS A 13 2.053 2.422 -14.316 1.00 0.00 C ATOM 173 C LYS A 13 1.507 1.957 -12.995 1.00 0.00 C ATOM 174 O LYS A 13 2.215 1.888 -12.000 1.00 0.00 O ATOM 175 CB LYS A 13 1.431 3.663 -14.843 1.00 0.00 C ATOM 176 CG LYS A 13 2.157 4.103 -16.016 1.00 0.00 C ATOM 177 CD LYS A 13 3.611 4.022 -16.119 1.00 0.00 C ATOM 178 CE LYS A 13 4.280 4.888 -17.172 1.00 0.00 C ATOM 179 NZ LYS A 13 5.237 4.138 -17.975 1.00 0.00 N ATOM 0 H LYS A 13 2.968 0.901 -15.401 1.00 0.00 H new ATOM 0 HA LYS A 13 3.086 2.701 -14.111 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.386 3.481 -15.095 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.444 4.442 -14.080 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.754 3.543 -16.860 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.892 5.149 -16.172 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.034 4.282 -15.149 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.879 2.984 -16.315 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.519 5.317 -17.824 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.789 5.720 -16.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.413 4.643 -18.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.129 4.040 -17.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.852 3.194 -18.182 1.00 0.00 H new ATOM 193 N TRP A 14 0.237 1.497 -13.066 1.00 0.00 N ATOM 194 CA TRP A 14 -0.332 1.061 -11.810 1.00 0.00 C ATOM 195 C TRP A 14 0.151 -0.388 -11.628 1.00 0.00 C ATOM 196 O TRP A 14 0.551 -0.778 -10.550 1.00 0.00 O ATOM 197 CB TRP A 14 -1.859 1.227 -11.746 1.00 0.00 C ATOM 198 CG TRP A 14 -2.742 0.241 -12.501 1.00 0.00 C ATOM 199 CD1 TRP A 14 -3.571 0.584 -13.576 1.00 0.00 C ATOM 200 CD2 TRP A 14 -3.077 -1.130 -12.145 1.00 0.00 C ATOM 201 NE1 TRP A 14 -4.401 -0.467 -13.855 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.142 -1.541 -12.990 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.600 -1.997 -11.188 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.678 -2.814 -12.833 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.126 -3.280 -11.074 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.162 -3.687 -11.891 1.00 0.00 C ATOM 0 H TRP A 14 -0.349 1.427 -13.898 1.00 0.00 H new ATOM 0 HA TRP A 14 0.003 1.684 -10.981 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.150 1.192 -10.696 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -2.097 2.227 -12.110 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.557 1.528 -14.101 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.109 -0.470 -14.589 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.812 -1.679 -10.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.506 -3.125 -13.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.721 -3.962 -10.341 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.568 -4.683 -11.795 1.00 0.00 H new ATOM 217 N PHE A 15 0.103 -1.168 -12.729 1.00 0.00 N ATOM 218 CA PHE A 15 0.643 -2.531 -12.721 1.00 0.00 C ATOM 219 C PHE A 15 2.146 -2.447 -13.110 1.00 0.00 C ATOM 220 O PHE A 15 2.443 -2.364 -14.295 1.00 0.00 O ATOM 221 CB PHE A 15 -0.175 -3.437 -13.663 1.00 0.00 C ATOM 222 CG PHE A 15 -0.087 -4.905 -13.302 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.360 -5.339 -12.001 1.00 0.00 C ATOM 224 CD2 PHE A 15 0.258 -5.851 -14.276 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.300 -6.698 -11.709 1.00 0.00 C ATOM 226 CE2 PHE A 15 0.324 -7.206 -13.970 1.00 0.00 C ATOM 227 CZ PHE A 15 0.041 -7.632 -12.681 1.00 0.00 C ATOM 0 H PHE A 15 -0.300 -0.876 -13.620 1.00 0.00 H new ATOM 0 HA PHE A 15 0.566 -2.983 -11.732 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.219 -3.126 -13.640 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.176 -3.299 -14.686 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.615 -4.626 -11.231 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.476 -5.522 -15.281 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.523 -7.034 -10.707 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.594 -7.922 -14.732 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.085 -8.682 -12.434 1.00 0.00 H new ATOM 237 N PHE A 16 3.071 -2.456 -12.111 1.00 0.00 N ATOM 238 CA PHE A 16 4.507 -2.319 -12.451 1.00 0.00 C ATOM 239 C PHE A 16 5.364 -3.495 -11.944 1.00 0.00 C ATOM 240 O PHE A 16 6.484 -3.275 -11.493 1.00 0.00 O ATOM 241 CB PHE A 16 5.061 -0.964 -11.901 1.00 0.00 C ATOM 242 CG PHE A 16 6.049 -0.279 -12.833 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.617 0.299 -14.031 1.00 0.00 C ATOM 244 CD2 PHE A 16 7.406 -0.208 -12.503 1.00 0.00 C ATOM 245 CE1 PHE A 16 6.514 0.923 -14.895 1.00 0.00 C ATOM 246 CE2 PHE A 16 8.308 0.397 -13.387 1.00 0.00 C ATOM 247 CZ PHE A 16 7.864 0.966 -14.577 1.00 0.00 C ATOM 0 H PHE A 16 2.862 -2.551 -11.117 1.00 0.00 H new ATOM 0 HA PHE A 16 4.577 -2.332 -13.539 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.225 -0.290 -11.714 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.546 -1.144 -10.942 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.569 0.261 -14.291 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.758 -0.619 -11.568 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.159 1.373 -15.811 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.360 0.422 -13.143 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.566 1.438 -15.249 1.00 0.00 H new ATOM 257 N ARG A 17 4.824 -4.747 -12.021 1.00 0.00 N ATOM 258 CA ARG A 17 5.629 -5.903 -11.584 1.00 0.00 C ATOM 259 C ARG A 17 6.152 -5.752 -10.157 1.00 0.00 C ATOM 260 O ARG A 17 5.693 -4.915 -9.403 1.00 0.00 O ATOM 261 CB ARG A 17 6.764 -6.188 -12.589 1.00 0.00 C ATOM 262 CG ARG A 17 6.330 -7.156 -13.684 1.00 0.00 C ATOM 263 CD ARG A 17 7.540 -7.702 -14.446 1.00 0.00 C ATOM 264 NE ARG A 17 8.135 -6.656 -15.275 1.00 0.00 N ATOM 265 CZ ARG A 17 7.661 -6.369 -16.507 1.00 0.00 C ATOM 266 NH1 ARG A 17 6.634 -7.037 -17.016 1.00 0.00 N ATOM 267 NH2 ARG A 17 8.221 -5.403 -17.222 1.00 0.00 N ATOM 0 H ARG A 17 3.888 -4.965 -12.363 1.00 0.00 H new ATOM 0 HA ARG A 17 4.968 -6.769 -11.567 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.090 -5.252 -13.042 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.622 -6.602 -12.059 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.771 -7.981 -13.244 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.658 -6.649 -14.377 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.280 -8.082 -13.742 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.235 -8.541 -15.071 1.00 0.00 H new ATOM 0 HE ARG A 17 8.930 -6.128 -14.914 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.190 -7.780 -16.475 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.288 -6.808 -17.948 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.008 -4.878 -16.842 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.864 -5.185 -18.152 1.00 0.00 H new ATOM 281 N THR A 18 7.093 -6.646 -9.800 1.00 0.00 N ATOM 282 CA THR A 18 7.679 -6.567 -8.487 1.00 0.00 C ATOM 283 C THR A 18 9.009 -5.768 -8.560 1.00 0.00 C ATOM 284 O THR A 18 10.104 -6.311 -8.506 1.00 0.00 O ATOM 285 CB THR A 18 8.067 -7.917 -7.799 1.00 0.00 C ATOM 286 OG1 THR A 18 9.151 -7.813 -6.792 1.00 0.00 O ATOM 287 CG2 THR A 18 8.217 -9.072 -8.822 1.00 0.00 C ATOM 0 H THR A 18 7.442 -7.400 -10.392 1.00 0.00 H new ATOM 0 HA THR A 18 6.886 -6.108 -7.897 1.00 0.00 H new ATOM 0 HB THR A 18 7.214 -8.194 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.974 -7.509 -7.228 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.487 -9.989 -8.298 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.273 -9.218 -9.347 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.997 -8.822 -9.541 1.00 0.00 H new ATOM 295 N ILE A 19 8.859 -4.442 -8.728 1.00 0.00 N ATOM 296 CA ILE A 19 10.050 -3.587 -8.709 1.00 0.00 C ATOM 297 C ILE A 19 10.518 -3.505 -7.252 1.00 0.00 C ATOM 298 O ILE A 19 9.774 -3.838 -6.332 1.00 0.00 O ATOM 299 CB ILE A 19 9.693 -2.191 -9.229 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.904 -1.400 -9.721 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.846 -1.396 -8.246 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.523 0.037 -10.134 1.00 0.00 C ATOM 0 H ILE A 19 7.971 -3.961 -8.871 1.00 0.00 H new ATOM 0 HA ILE A 19 10.837 -3.993 -9.345 1.00 0.00 H new ATOM 0 HB ILE A 19 9.071 -2.362 -10.108 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.658 -1.364 -8.935 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.353 -1.915 -10.570 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.624 -0.416 -8.667 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.914 -1.929 -8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.393 -1.274 -7.311 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.413 0.565 -10.477 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.789 0.002 -10.939 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.098 0.561 -9.278 1.00 0.00 H new ATOM 314 N SER A 20 11.768 -3.027 -7.075 1.00 0.00 N ATOM 315 CA SER A 20 12.220 -2.906 -5.694 1.00 0.00 C ATOM 316 C SER A 20 11.314 -1.890 -4.989 1.00 0.00 C ATOM 317 O SER A 20 10.770 -0.970 -5.580 1.00 0.00 O ATOM 318 CB SER A 20 13.691 -2.402 -5.626 1.00 0.00 C ATOM 319 OG SER A 20 14.524 -2.637 -4.408 1.00 0.00 O ATOM 0 H SER A 20 12.423 -2.744 -7.804 1.00 0.00 H new ATOM 0 HA SER A 20 12.172 -3.884 -5.214 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.221 -2.847 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.669 -1.326 -5.796 1.00 0.00 H new ATOM 0 HG SER A 20 15.416 -2.255 -4.543 1.00 0.00 H new ATOM 325 N ARG A 21 11.281 -2.061 -3.669 1.00 0.00 N ATOM 326 CA ARG A 21 10.418 -1.203 -2.867 1.00 0.00 C ATOM 327 C ARG A 21 10.796 0.264 -3.074 1.00 0.00 C ATOM 328 O ARG A 21 10.008 1.085 -3.516 1.00 0.00 O ATOM 329 CB ARG A 21 10.538 -1.582 -1.390 1.00 0.00 C ATOM 330 CG ARG A 21 9.393 -0.989 -0.548 1.00 0.00 C ATOM 331 CD ARG A 21 8.694 -2.046 0.310 1.00 0.00 C ATOM 332 NE ARG A 21 8.101 -3.077 -0.538 1.00 0.00 N ATOM 333 CZ ARG A 21 7.417 -4.110 -0.004 1.00 0.00 C ATOM 334 NH1 ARG A 21 7.258 -4.219 1.310 1.00 0.00 N ATOM 335 NH2 ARG A 21 6.888 -5.030 -0.798 1.00 0.00 N ATOM 0 H ARG A 21 11.818 -2.756 -3.151 1.00 0.00 H new ATOM 0 HA ARG A 21 9.384 -1.342 -3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.535 -2.668 -1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.494 -1.230 -1.002 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.788 -0.204 0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.664 -0.521 -1.209 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.410 -2.498 0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.921 -1.577 0.918 1.00 0.00 H new ATOM 0 HE ARG A 21 8.206 -3.015 -1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.656 -3.515 1.932 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.738 -5.006 1.697 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.999 -4.956 -1.809 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.370 -5.812 -0.398 1.00 0.00 H new ATOM 349 N LYS A 22 12.081 0.502 -2.764 1.00 0.00 N ATOM 350 CA LYS A 22 12.658 1.832 -2.946 1.00 0.00 C ATOM 351 C LYS A 22 12.627 2.311 -4.395 1.00 0.00 C ATOM 352 O LYS A 22 12.719 3.503 -4.662 1.00 0.00 O ATOM 353 CB LYS A 22 14.031 2.006 -2.309 1.00 0.00 C ATOM 354 CG LYS A 22 15.001 0.952 -2.728 1.00 0.00 C ATOM 355 CD LYS A 22 15.539 1.017 -4.123 1.00 0.00 C ATOM 356 CE LYS A 22 16.988 0.538 -4.225 1.00 0.00 C ATOM 357 NZ LYS A 22 17.911 1.646 -3.999 1.00 0.00 N ATOM 0 H LYS A 22 12.724 -0.198 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 22 11.993 2.492 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.428 2.985 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.928 1.988 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.846 0.982 -2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.520 -0.017 -2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.914 0.409 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.475 2.043 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.169 -0.249 -3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.165 0.105 -5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.890 1.303 -4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.749 2.384 -4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.753 2.042 -3.050 1.00 0.00 H new ATOM 371 N ASP A 23 12.450 1.334 -5.325 1.00 0.00 N ATOM 372 CA ASP A 23 12.454 1.677 -6.720 1.00 0.00 C ATOM 373 C ASP A 23 11.112 2.318 -7.111 1.00 0.00 C ATOM 374 O ASP A 23 11.024 3.444 -7.562 1.00 0.00 O ATOM 375 CB ASP A 23 12.783 0.501 -7.671 1.00 0.00 C ATOM 376 CG ASP A 23 14.301 0.226 -7.788 1.00 0.00 C ATOM 377 OD1 ASP A 23 15.103 1.073 -7.392 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.668 -0.832 -8.289 1.00 0.00 O ATOM 0 H ASP A 23 12.310 0.345 -5.117 1.00 0.00 H new ATOM 0 HA ASP A 23 13.268 2.391 -6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.283 -0.399 -7.314 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.381 0.718 -8.661 1.00 0.00 H new ATOM 383 N ALA A 24 10.064 1.530 -6.878 1.00 0.00 N ATOM 384 CA ALA A 24 8.698 1.995 -7.149 1.00 0.00 C ATOM 385 C ALA A 24 8.441 3.356 -6.450 1.00 0.00 C ATOM 386 O ALA A 24 7.858 4.277 -7.004 1.00 0.00 O ATOM 387 CB ALA A 24 7.726 0.914 -6.657 1.00 0.00 C ATOM 0 H ALA A 24 10.128 0.581 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 24 8.551 2.156 -8.217 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.701 1.233 -6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.919 -0.018 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.866 0.758 -5.587 1.00 0.00 H new ATOM 393 N GLU A 25 8.937 3.420 -5.201 1.00 0.00 N ATOM 394 CA GLU A 25 8.799 4.617 -4.388 1.00 0.00 C ATOM 395 C GLU A 25 9.561 5.804 -5.009 1.00 0.00 C ATOM 396 O GLU A 25 9.126 6.939 -4.903 1.00 0.00 O ATOM 397 CB GLU A 25 9.324 4.350 -2.980 1.00 0.00 C ATOM 398 CG GLU A 25 8.413 3.444 -2.146 1.00 0.00 C ATOM 399 CD GLU A 25 8.872 3.452 -0.676 1.00 0.00 C ATOM 400 OE1 GLU A 25 10.076 3.381 -0.420 1.00 0.00 O ATOM 401 OE2 GLU A 25 8.017 3.553 0.200 1.00 0.00 O ATOM 0 H GLU A 25 9.433 2.654 -4.744 1.00 0.00 H new ATOM 0 HA GLU A 25 7.741 4.876 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.311 3.893 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.449 5.301 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.381 3.787 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.438 2.427 -2.539 1.00 0.00 H new ATOM 408 N ARG A 26 10.691 5.496 -5.696 1.00 0.00 N ATOM 409 CA ARG A 26 11.504 6.555 -6.308 1.00 0.00 C ATOM 410 C ARG A 26 10.714 7.291 -7.407 1.00 0.00 C ATOM 411 O ARG A 26 10.959 8.446 -7.731 1.00 0.00 O ATOM 412 CB ARG A 26 12.808 5.969 -6.902 1.00 0.00 C ATOM 413 CG ARG A 26 12.781 5.477 -8.369 1.00 0.00 C ATOM 414 CD ARG A 26 13.645 4.232 -8.642 1.00 0.00 C ATOM 415 NE ARG A 26 14.453 4.406 -9.844 1.00 0.00 N ATOM 416 CZ ARG A 26 14.949 3.350 -10.529 1.00 0.00 C ATOM 417 NH1 ARG A 26 14.721 2.105 -10.134 1.00 0.00 N ATOM 418 NH2 ARG A 26 15.686 3.547 -11.611 1.00 0.00 N ATOM 0 H ARG A 26 11.044 4.549 -5.833 1.00 0.00 H new ATOM 0 HA ARG A 26 11.761 7.270 -5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.584 6.730 -6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.114 5.132 -6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.750 5.256 -8.646 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.118 6.286 -9.016 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.295 4.042 -7.788 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.003 3.358 -8.755 1.00 0.00 H new ATOM 0 HE ARG A 26 14.649 5.350 -10.177 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.162 1.929 -9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.104 1.323 -10.665 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.881 4.496 -11.930 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.059 2.750 -12.126 1.00 0.00 H new ATOM 432 N GLN A 27 9.746 6.524 -7.950 1.00 0.00 N ATOM 433 CA GLN A 27 8.923 7.067 -9.034 1.00 0.00 C ATOM 434 C GLN A 27 7.874 8.063 -8.528 1.00 0.00 C ATOM 435 O GLN A 27 7.783 9.191 -8.992 1.00 0.00 O ATOM 436 CB GLN A 27 8.208 5.955 -9.814 1.00 0.00 C ATOM 437 CG GLN A 27 9.206 4.990 -10.460 1.00 0.00 C ATOM 438 CD GLN A 27 9.658 5.475 -11.848 1.00 0.00 C ATOM 439 OE1 GLN A 27 8.961 6.206 -12.535 1.00 0.00 O ATOM 440 NE2 GLN A 27 10.864 5.029 -12.218 1.00 0.00 N ATOM 0 H GLN A 27 9.526 5.569 -7.667 1.00 0.00 H new ATOM 0 HA GLN A 27 9.615 7.590 -9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.550 5.404 -9.142 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.578 6.398 -10.585 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.076 4.881 -9.813 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.750 4.004 -10.551 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.395 4.420 -11.596 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.252 5.298 -13.122 1.00 0.00 H new ATOM 449 N LEU A 28 7.045 7.544 -7.602 1.00 0.00 N ATOM 450 CA LEU A 28 5.984 8.369 -7.031 1.00 0.00 C ATOM 451 C LEU A 28 6.554 9.600 -6.317 1.00 0.00 C ATOM 452 O LEU A 28 6.009 10.682 -6.449 1.00 0.00 O ATOM 453 CB LEU A 28 5.097 7.538 -6.102 1.00 0.00 C ATOM 454 CG LEU A 28 4.579 6.314 -6.828 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.235 5.247 -5.828 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.352 6.669 -7.652 1.00 0.00 C ATOM 0 H LEU A 28 7.091 6.589 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 28 5.362 8.735 -7.848 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.664 7.235 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.261 8.142 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 28 5.353 5.944 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.862 4.366 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.126 4.982 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.467 5.618 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.991 5.780 -8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.570 7.050 -6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.614 7.432 -8.385 1.00 0.00 H new ATOM 468 N LEU A 29 7.702 9.402 -5.627 1.00 0.00 N ATOM 469 CA LEU A 29 8.319 10.514 -4.907 1.00 0.00 C ATOM 470 C LEU A 29 8.890 11.587 -5.852 1.00 0.00 C ATOM 471 O LEU A 29 9.365 12.621 -5.394 1.00 0.00 O ATOM 472 CB LEU A 29 9.484 9.963 -4.081 1.00 0.00 C ATOM 473 CG LEU A 29 9.009 9.068 -2.941 1.00 0.00 C ATOM 474 CD1 LEU A 29 10.141 8.165 -2.453 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.437 9.918 -1.802 1.00 0.00 C ATOM 0 H LEU A 29 8.196 8.512 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 29 7.547 10.975 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.152 9.397 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.062 10.792 -3.673 1.00 0.00 H new ATOM 0 HG LEU A 29 8.213 8.422 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.779 7.536 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.484 7.536 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.968 8.779 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.102 9.267 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.208 10.592 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.594 10.501 -2.172 1.00 0.00 H new ATOM 487 N ALA A 30 8.824 11.306 -7.173 1.00 0.00 N ATOM 488 CA ALA A 30 9.296 12.267 -8.156 1.00 0.00 C ATOM 489 C ALA A 30 8.407 13.517 -8.092 1.00 0.00 C ATOM 490 O ALA A 30 7.211 13.417 -7.838 1.00 0.00 O ATOM 491 CB ALA A 30 9.302 11.689 -9.576 1.00 0.00 C ATOM 0 H ALA A 30 8.455 10.438 -7.562 1.00 0.00 H new ATOM 0 HA ALA A 30 10.328 12.524 -7.917 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.662 12.444 -10.275 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.958 10.819 -9.612 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.290 11.392 -9.852 1.00 0.00 H new ATOM 497 N PRO A 31 9.036 14.703 -8.336 1.00 0.00 N ATOM 498 CA PRO A 31 8.287 15.947 -8.287 1.00 0.00 C ATOM 499 C PRO A 31 7.234 16.088 -9.384 1.00 0.00 C ATOM 500 O PRO A 31 6.275 16.839 -9.242 1.00 0.00 O ATOM 501 CB PRO A 31 9.365 17.028 -8.532 1.00 0.00 C ATOM 502 CG PRO A 31 10.712 16.330 -8.732 1.00 0.00 C ATOM 503 CD PRO A 31 10.464 14.853 -8.533 1.00 0.00 C ATOM 0 HA PRO A 31 7.745 16.014 -7.344 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.112 17.623 -9.409 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.415 17.713 -7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.106 16.526 -9.729 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.450 16.699 -8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.799 14.282 -9.399 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.017 14.479 -7.671 1.00 0.00 H new ATOM 511 N MET A 32 7.401 15.254 -10.420 1.00 0.00 N ATOM 512 CA MET A 32 6.437 15.170 -11.481 1.00 0.00 C ATOM 513 C MET A 32 5.128 14.545 -11.076 1.00 0.00 C ATOM 514 O MET A 32 4.053 14.917 -11.511 1.00 0.00 O ATOM 515 CB MET A 32 7.062 14.440 -12.660 1.00 0.00 C ATOM 516 CG MET A 32 7.905 15.318 -13.567 1.00 0.00 C ATOM 517 SD MET A 32 9.635 15.441 -13.140 1.00 0.00 S ATOM 518 CE MET A 32 10.177 13.908 -13.911 1.00 0.00 C ATOM 0 H MET A 32 8.203 14.634 -10.529 1.00 0.00 H new ATOM 0 HA MET A 32 6.177 16.190 -11.765 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.683 13.628 -12.281 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.268 13.984 -13.252 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.828 14.936 -14.585 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.478 16.321 -13.569 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.250 13.785 -13.761 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.649 13.068 -13.461 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.961 13.942 -14.979 1.00 0.00 H new ATOM 528 N ASN A 33 5.317 13.534 -10.204 1.00 0.00 N ATOM 529 CA ASN A 33 4.195 12.776 -9.679 1.00 0.00 C ATOM 530 C ASN A 33 3.739 13.325 -8.317 1.00 0.00 C ATOM 531 O ASN A 33 4.506 13.951 -7.595 1.00 0.00 O ATOM 532 CB ASN A 33 4.627 11.312 -9.603 1.00 0.00 C ATOM 533 CG ASN A 33 4.837 10.732 -10.993 1.00 0.00 C ATOM 534 OD1 ASN A 33 3.978 10.808 -11.860 1.00 0.00 O ATOM 535 ND2 ASN A 33 6.020 10.136 -11.141 1.00 0.00 N ATOM 0 H ASN A 33 6.230 13.236 -9.860 1.00 0.00 H new ATOM 0 HA ASN A 33 3.329 12.866 -10.334 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.550 11.231 -9.028 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.870 10.733 -9.074 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.263 9.699 -12.030 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.682 10.117 -10.365 1.00 0.00 H new ATOM 542 N LYS A 34 2.444 13.072 -8.027 1.00 0.00 N ATOM 543 CA LYS A 34 1.945 13.491 -6.722 1.00 0.00 C ATOM 544 C LYS A 34 0.827 12.549 -6.259 1.00 0.00 C ATOM 545 O LYS A 34 0.374 11.708 -7.009 1.00 0.00 O ATOM 546 CB LYS A 34 1.479 14.961 -6.803 1.00 0.00 C ATOM 547 CG LYS A 34 0.424 15.250 -7.877 1.00 0.00 C ATOM 548 CD LYS A 34 -0.923 14.714 -7.445 1.00 0.00 C ATOM 549 CE LYS A 34 -2.116 15.435 -8.100 1.00 0.00 C ATOM 550 NZ LYS A 34 -3.207 14.615 -8.595 1.00 0.00 N ATOM 0 H LYS A 34 1.772 12.610 -8.640 1.00 0.00 H new ATOM 0 HA LYS A 34 2.739 13.433 -5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.077 15.252 -5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.348 15.592 -6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.357 16.324 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.720 14.792 -8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.975 13.652 -7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.008 14.800 -6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.526 16.136 -7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.735 16.026 -8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.478 14.935 -9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.903 13.621 -8.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.023 14.700 -7.956 1.00 0.00 H new ATOM 564 N ALA A 35 0.201 12.913 -5.130 1.00 0.00 N ATOM 565 CA ALA A 35 -0.857 12.098 -4.552 1.00 0.00 C ATOM 566 C ALA A 35 -1.912 11.686 -5.611 1.00 0.00 C ATOM 567 O ALA A 35 -2.666 12.510 -6.115 1.00 0.00 O ATOM 568 CB ALA A 35 -1.471 12.892 -3.389 1.00 0.00 C ATOM 0 H ALA A 35 0.413 13.763 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.448 11.159 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.270 12.308 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.702 13.100 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.877 13.831 -3.764 1.00 0.00 H new ATOM 574 N GLY A 36 -1.895 10.363 -5.909 1.00 0.00 N ATOM 575 CA GLY A 36 -2.767 9.754 -6.905 1.00 0.00 C ATOM 576 C GLY A 36 -2.033 8.860 -7.913 1.00 0.00 C ATOM 577 O GLY A 36 -2.614 7.937 -8.457 1.00 0.00 O ATOM 0 H GLY A 36 -1.268 9.699 -5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.526 9.161 -6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.289 10.543 -7.447 1.00 0.00 H new ATOM 581 N SER A 37 -0.757 9.194 -8.174 1.00 0.00 N ATOM 582 CA SER A 37 0.116 8.326 -8.963 1.00 0.00 C ATOM 583 C SER A 37 0.321 7.097 -8.057 1.00 0.00 C ATOM 584 O SER A 37 0.647 7.233 -6.873 1.00 0.00 O ATOM 585 CB SER A 37 1.473 9.043 -9.260 1.00 0.00 C ATOM 586 OG SER A 37 1.925 9.982 -8.206 1.00 0.00 O ATOM 0 H SER A 37 -0.315 10.054 -7.850 1.00 0.00 H new ATOM 0 HA SER A 37 -0.303 8.062 -9.934 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.243 8.286 -9.407 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.381 9.590 -10.198 1.00 0.00 H new ATOM 0 HG SER A 37 1.325 10.756 -8.178 1.00 0.00 H new ATOM 592 N PHE A 38 0.129 5.903 -8.685 1.00 0.00 N ATOM 593 CA PHE A 38 0.240 4.677 -7.903 1.00 0.00 C ATOM 594 C PHE A 38 1.048 3.622 -8.712 1.00 0.00 C ATOM 595 O PHE A 38 1.372 3.785 -9.877 1.00 0.00 O ATOM 596 CB PHE A 38 -1.180 4.060 -7.713 1.00 0.00 C ATOM 597 CG PHE A 38 -2.108 4.503 -6.602 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.303 5.827 -6.264 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.861 3.549 -5.916 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.242 6.214 -5.320 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.780 3.920 -4.937 1.00 0.00 C ATOM 602 CZ PHE A 38 -3.977 5.262 -4.635 1.00 0.00 C ATOM 0 H PHE A 38 -0.090 5.782 -9.674 1.00 0.00 H new ATOM 0 HA PHE A 38 0.716 4.914 -6.951 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.716 4.213 -8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.042 2.985 -7.597 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.706 6.585 -6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.729 2.503 -6.149 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.401 7.263 -5.118 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.341 3.162 -4.411 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.690 5.557 -3.880 1.00 0.00 H new ATOM 612 N LEU A 39 1.330 2.519 -7.963 1.00 0.00 N ATOM 613 CA LEU A 39 2.051 1.339 -8.481 1.00 0.00 C ATOM 614 C LEU A 39 1.604 0.159 -7.600 1.00 0.00 C ATOM 615 O LEU A 39 1.353 0.407 -6.424 1.00 0.00 O ATOM 616 CB LEU A 39 3.583 1.389 -8.364 1.00 0.00 C ATOM 617 CG LEU A 39 4.222 2.756 -8.481 1.00 0.00 C ATOM 618 CD1 LEU A 39 5.446 2.794 -7.565 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.583 3.110 -9.956 1.00 0.00 C ATOM 0 H LEU A 39 1.060 2.431 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 39 1.819 1.270 -9.544 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.867 0.960 -7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.006 0.747 -9.137 1.00 0.00 H new ATOM 0 HG LEU A 39 3.509 3.518 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.922 3.772 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.136 2.613 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.154 2.024 -7.871 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.039 4.099 -9.992 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.285 2.373 -10.346 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.678 3.106 -10.563 1.00 0.00 H new ATOM 631 N ILE A 40 1.541 -1.086 -8.162 1.00 0.00 N ATOM 632 CA ILE A 40 1.107 -2.149 -7.263 1.00 0.00 C ATOM 633 C ILE A 40 2.223 -3.198 -7.489 1.00 0.00 C ATOM 634 O ILE A 40 2.161 -4.040 -8.384 1.00 0.00 O ATOM 635 CB ILE A 40 -0.350 -2.581 -7.582 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.121 -3.076 -6.371 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.512 -3.764 -8.520 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.604 -2.653 -6.542 1.00 0.00 C ATOM 0 H ILE A 40 1.761 -1.343 -9.124 1.00 0.00 H new ATOM 0 HA ILE A 40 1.019 -1.901 -6.205 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.715 -1.650 -8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.041 -4.160 -6.285 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.707 -2.652 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.572 -3.970 -8.666 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.052 -3.532 -9.481 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.028 -4.640 -8.088 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.182 -2.997 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.667 -1.567 -6.610 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.007 -3.098 -7.452 1.00 0.00 H new ATOM 650 N ARG A 41 3.253 -3.157 -6.601 1.00 0.00 N ATOM 651 CA ARG A 41 4.332 -4.102 -6.816 1.00 0.00 C ATOM 652 C ARG A 41 4.047 -5.339 -5.981 1.00 0.00 C ATOM 653 O ARG A 41 3.447 -5.268 -4.921 1.00 0.00 O ATOM 654 CB ARG A 41 5.654 -3.422 -6.407 1.00 0.00 C ATOM 655 CG ARG A 41 5.998 -3.471 -4.905 1.00 0.00 C ATOM 656 CD ARG A 41 6.858 -4.708 -4.567 1.00 0.00 C ATOM 657 NE ARG A 41 7.955 -4.360 -3.662 1.00 0.00 N ATOM 658 CZ ARG A 41 9.025 -5.176 -3.498 1.00 0.00 C ATOM 659 NH1 ARG A 41 9.120 -6.317 -4.166 1.00 0.00 N ATOM 660 NH2 ARG A 41 9.999 -4.846 -2.659 1.00 0.00 N ATOM 0 H ARG A 41 3.342 -2.530 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 41 4.412 -4.404 -7.860 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.468 -3.889 -6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.615 -2.378 -6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.534 -2.565 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.079 -3.493 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.233 -5.474 -4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.262 -5.135 -5.485 1.00 0.00 H new ATOM 0 HE ARG A 41 7.913 -3.483 -3.143 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.382 -6.592 -4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.931 -6.920 -4.032 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.945 -3.974 -2.133 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.801 -5.465 -2.540 1.00 0.00 H new ATOM 674 N GLU A 42 4.523 -6.474 -6.521 1.00 0.00 N ATOM 675 CA GLU A 42 4.304 -7.737 -5.832 1.00 0.00 C ATOM 676 C GLU A 42 5.458 -8.045 -4.926 1.00 0.00 C ATOM 677 O GLU A 42 6.612 -7.809 -5.246 1.00 0.00 O ATOM 678 CB GLU A 42 4.035 -8.908 -6.794 1.00 0.00 C ATOM 679 CG GLU A 42 5.031 -9.056 -7.932 1.00 0.00 C ATOM 680 CD GLU A 42 4.402 -9.618 -9.206 1.00 0.00 C ATOM 681 OE1 GLU A 42 3.583 -8.927 -9.809 1.00 0.00 O ATOM 682 OE2 GLU A 42 4.744 -10.733 -9.588 1.00 0.00 O ATOM 0 H GLU A 42 5.041 -6.535 -7.398 1.00 0.00 H new ATOM 0 HA GLU A 42 3.401 -7.618 -5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.025 -9.834 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.039 -8.786 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.473 -8.084 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.843 -9.711 -7.615 1.00 0.00 H new ATOM 689 N SER A 43 5.091 -8.631 -3.771 1.00 0.00 N ATOM 690 CA SER A 43 6.183 -9.004 -2.886 1.00 0.00 C ATOM 691 C SER A 43 6.804 -10.272 -3.499 1.00 0.00 C ATOM 692 O SER A 43 6.198 -11.337 -3.465 1.00 0.00 O ATOM 693 CB SER A 43 5.683 -9.349 -1.455 1.00 0.00 C ATOM 694 OG SER A 43 6.720 -9.236 -0.373 1.00 0.00 O ATOM 0 H SER A 43 4.142 -8.837 -3.458 1.00 0.00 H new ATOM 0 HA SER A 43 6.885 -8.175 -2.795 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.850 -8.690 -1.209 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.293 -10.367 -1.459 1.00 0.00 H new ATOM 0 HG SER A 43 7.241 -10.065 -0.331 1.00 0.00 H new ATOM 700 N GLU A 44 7.995 -10.097 -4.099 1.00 0.00 N ATOM 701 CA GLU A 44 8.667 -11.224 -4.734 1.00 0.00 C ATOM 702 C GLU A 44 9.327 -12.202 -3.719 1.00 0.00 C ATOM 703 O GLU A 44 10.453 -12.643 -3.898 1.00 0.00 O ATOM 704 CB GLU A 44 9.731 -10.714 -5.690 1.00 0.00 C ATOM 705 CG GLU A 44 10.783 -9.835 -4.970 1.00 0.00 C ATOM 706 CD GLU A 44 12.072 -9.731 -5.801 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.140 -8.936 -6.735 1.00 0.00 O ATOM 708 OE2 GLU A 44 12.996 -10.489 -5.518 1.00 0.00 O ATOM 0 H GLU A 44 8.494 -9.209 -4.153 1.00 0.00 H new ATOM 0 HA GLU A 44 7.896 -11.782 -5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.228 -11.560 -6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.258 -10.136 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.375 -8.839 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.009 -10.259 -3.992 1.00 0.00 H new ATOM 715 N SER A 45 8.591 -12.481 -2.635 1.00 0.00 N ATOM 716 CA SER A 45 9.054 -13.376 -1.587 1.00 0.00 C ATOM 717 C SER A 45 7.890 -14.201 -0.992 1.00 0.00 C ATOM 718 O SER A 45 8.131 -15.228 -0.369 1.00 0.00 O ATOM 719 CB SER A 45 9.695 -12.521 -0.460 1.00 0.00 C ATOM 720 OG SER A 45 8.755 -11.706 0.366 1.00 0.00 O ATOM 0 H SER A 45 7.664 -12.091 -2.468 1.00 0.00 H new ATOM 0 HA SER A 45 9.777 -14.070 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.245 -13.187 0.204 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.424 -11.849 -0.913 1.00 0.00 H new ATOM 0 HG SER A 45 9.261 -11.210 1.043 1.00 0.00 H new ATOM 726 N ASN A 46 6.634 -13.689 -1.156 1.00 0.00 N ATOM 727 CA ASN A 46 5.467 -14.386 -0.602 1.00 0.00 C ATOM 728 C ASN A 46 4.776 -15.232 -1.727 1.00 0.00 C ATOM 729 O ASN A 46 5.217 -15.271 -2.871 1.00 0.00 O ATOM 730 CB ASN A 46 4.421 -13.353 -0.067 1.00 0.00 C ATOM 731 CG ASN A 46 3.449 -12.950 -1.120 1.00 0.00 C ATOM 732 OD1 ASN A 46 2.311 -13.382 -1.094 1.00 0.00 O ATOM 733 ND2 ASN A 46 4.027 -12.248 -2.098 1.00 0.00 N ATOM 0 H ASN A 46 6.423 -12.824 -1.653 1.00 0.00 H new ATOM 0 HA ASN A 46 5.806 -15.029 0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.883 -13.785 0.777 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.941 -12.470 0.304 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.501 -12.020 -2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.995 -11.940 -2.001 1.00 0.00 H new ATOM 740 N LYS A 47 3.673 -15.900 -1.303 1.00 0.00 N ATOM 741 CA LYS A 47 2.752 -16.653 -2.150 1.00 0.00 C ATOM 742 C LYS A 47 1.814 -15.857 -3.072 1.00 0.00 C ATOM 743 O LYS A 47 0.615 -16.108 -3.047 1.00 0.00 O ATOM 744 CB LYS A 47 2.084 -17.834 -1.456 1.00 0.00 C ATOM 745 CG LYS A 47 1.499 -17.381 -0.144 1.00 0.00 C ATOM 746 CD LYS A 47 2.544 -17.435 0.976 1.00 0.00 C ATOM 747 CE LYS A 47 2.060 -18.252 2.167 1.00 0.00 C ATOM 748 NZ LYS A 47 1.920 -19.674 1.864 1.00 0.00 N ATOM 0 H LYS A 47 3.402 -15.921 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 47 3.446 -17.082 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.301 -18.248 -2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.811 -18.629 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.121 -16.364 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.650 -18.013 0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.467 -17.868 0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.779 -16.422 1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.760 -18.129 2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.099 -17.861 2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.771 -20.204 2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.106 -19.816 1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.784 -20.016 1.396 1.00 0.00 H new ATOM 762 N GLY A 48 2.347 -14.922 -3.882 1.00 0.00 N ATOM 763 CA GLY A 48 1.434 -14.211 -4.780 1.00 0.00 C ATOM 764 C GLY A 48 0.670 -13.021 -4.172 1.00 0.00 C ATOM 765 O GLY A 48 -0.490 -12.787 -4.486 1.00 0.00 O ATOM 0 H GLY A 48 3.331 -14.658 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.006 -13.850 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.706 -14.925 -5.164 1.00 0.00 H new ATOM 769 N ALA A 49 1.401 -12.289 -3.312 1.00 0.00 N ATOM 770 CA ALA A 49 0.859 -11.066 -2.662 1.00 0.00 C ATOM 771 C ALA A 49 1.307 -9.810 -3.453 1.00 0.00 C ATOM 772 O ALA A 49 2.252 -9.842 -4.234 1.00 0.00 O ATOM 773 CB ALA A 49 1.257 -10.875 -1.160 1.00 0.00 C ATOM 0 H ALA A 49 2.360 -12.514 -3.048 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.223 -11.197 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.812 -9.955 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.894 -11.722 -0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.342 -10.815 -1.076 1.00 0.00 H new ATOM 779 N PHE A 50 0.577 -8.708 -3.176 1.00 0.00 N ATOM 780 CA PHE A 50 0.831 -7.426 -3.837 1.00 0.00 C ATOM 781 C PHE A 50 0.864 -6.303 -2.773 1.00 0.00 C ATOM 782 O PHE A 50 0.454 -6.488 -1.636 1.00 0.00 O ATOM 783 CB PHE A 50 -0.189 -7.148 -4.988 1.00 0.00 C ATOM 784 CG PHE A 50 0.169 -7.726 -6.343 1.00 0.00 C ATOM 785 CD1 PHE A 50 0.953 -7.010 -7.248 1.00 0.00 C ATOM 786 CD2 PHE A 50 -0.351 -8.956 -6.745 1.00 0.00 C ATOM 787 CE1 PHE A 50 1.166 -7.484 -8.539 1.00 0.00 C ATOM 788 CE2 PHE A 50 -0.129 -9.439 -8.031 1.00 0.00 C ATOM 789 CZ PHE A 50 0.623 -8.701 -8.933 1.00 0.00 C ATOM 0 H PHE A 50 -0.188 -8.688 -2.501 1.00 0.00 H new ATOM 0 HA PHE A 50 1.805 -7.460 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.160 -7.544 -4.691 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.303 -6.069 -5.093 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.400 -6.076 -6.943 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.934 -9.541 -6.049 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.754 -6.905 -9.236 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.543 -10.391 -8.328 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.785 -9.070 -9.935 1.00 0.00 H new ATOM 799 N SER A 51 1.368 -5.129 -3.227 1.00 0.00 N ATOM 800 CA SER A 51 1.518 -3.936 -2.387 1.00 0.00 C ATOM 801 C SER A 51 1.302 -2.671 -3.244 1.00 0.00 C ATOM 802 O SER A 51 1.851 -2.582 -4.326 1.00 0.00 O ATOM 803 CB SER A 51 2.908 -3.844 -1.687 1.00 0.00 C ATOM 804 OG SER A 51 2.953 -4.962 -0.664 1.00 0.00 O ATOM 0 H SER A 51 1.680 -4.992 -4.189 1.00 0.00 H new ATOM 0 HA SER A 51 0.766 -4.012 -1.601 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.715 -3.950 -2.412 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.036 -2.874 -1.207 1.00 0.00 H new ATOM 0 HG SER A 51 3.815 -4.944 -0.198 1.00 0.00 H new ATOM 810 N LEU A 52 0.540 -1.696 -2.705 1.00 0.00 N ATOM 811 CA LEU A 52 0.241 -0.447 -3.419 1.00 0.00 C ATOM 812 C LEU A 52 1.006 0.750 -2.829 1.00 0.00 C ATOM 813 O LEU A 52 1.076 0.923 -1.623 1.00 0.00 O ATOM 814 CB LEU A 52 -1.283 -0.250 -3.245 1.00 0.00 C ATOM 815 CG LEU A 52 -1.991 0.680 -4.238 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.607 0.338 -5.674 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.528 0.626 -4.041 1.00 0.00 C ATOM 0 H LEU A 52 0.122 -1.755 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 52 0.544 -0.506 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.758 -1.229 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.461 0.132 -2.240 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.663 1.701 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.122 1.012 -6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.530 0.448 -5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.894 -0.691 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.010 1.293 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.880 -0.393 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.776 0.940 -3.027 1.00 0.00 H new ATOM 829 N SER A 53 1.592 1.524 -3.771 1.00 0.00 N ATOM 830 CA SER A 53 2.385 2.708 -3.495 1.00 0.00 C ATOM 831 C SER A 53 1.624 3.956 -3.952 1.00 0.00 C ATOM 832 O SER A 53 1.146 3.995 -5.073 1.00 0.00 O ATOM 833 CB SER A 53 3.729 2.540 -4.261 1.00 0.00 C ATOM 834 OG SER A 53 4.398 1.225 -4.004 1.00 0.00 O ATOM 0 H SER A 53 1.514 1.322 -4.768 1.00 0.00 H new ATOM 0 HA SER A 53 2.580 2.826 -2.429 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.545 2.643 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.405 3.346 -3.975 1.00 0.00 H new ATOM 0 HG SER A 53 5.234 1.178 -4.513 1.00 0.00 H new ATOM 840 N VAL A 54 1.565 4.969 -3.074 1.00 0.00 N ATOM 841 CA VAL A 54 0.879 6.190 -3.480 1.00 0.00 C ATOM 842 C VAL A 54 1.683 7.349 -2.931 1.00 0.00 C ATOM 843 O VAL A 54 2.208 7.234 -1.841 1.00 0.00 O ATOM 844 CB VAL A 54 -0.557 6.243 -2.919 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.316 7.474 -3.442 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.258 4.916 -3.181 1.00 0.00 C ATOM 0 H VAL A 54 1.960 4.968 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 54 0.803 6.230 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.529 6.373 -1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.324 7.482 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.792 8.380 -3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.370 7.433 -4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.272 4.956 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.296 4.730 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.708 4.111 -2.692 1.00 0.00 H new ATOM 856 N LYS A 55 1.693 8.486 -3.632 1.00 0.00 N ATOM 857 CA LYS A 55 2.514 9.545 -3.056 1.00 0.00 C ATOM 858 C LYS A 55 1.735 10.244 -1.923 1.00 0.00 C ATOM 859 O LYS A 55 0.790 10.968 -2.171 1.00 0.00 O ATOM 860 CB LYS A 55 2.816 10.504 -4.195 1.00 0.00 C ATOM 861 CG LYS A 55 3.370 11.890 -3.809 1.00 0.00 C ATOM 862 CD LYS A 55 4.586 12.303 -4.639 1.00 0.00 C ATOM 863 CE LYS A 55 4.986 13.750 -4.390 1.00 0.00 C ATOM 864 NZ LYS A 55 6.238 14.106 -5.051 1.00 0.00 N ATOM 0 H LYS A 55 1.201 8.685 -4.503 1.00 0.00 H new ATOM 0 HA LYS A 55 3.438 9.164 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.534 10.025 -4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.900 10.652 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.584 12.635 -3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.643 11.884 -2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.425 11.650 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.365 12.166 -5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.193 14.409 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.085 13.917 -3.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.276 15.136 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.040 13.806 -4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.291 13.630 -5.974 1.00 0.00 H new ATOM 878 N ASP A 56 2.316 10.114 -0.690 1.00 0.00 N ATOM 879 CA ASP A 56 1.587 10.801 0.373 1.00 0.00 C ATOM 880 C ASP A 56 2.315 12.127 0.551 1.00 0.00 C ATOM 881 O ASP A 56 3.518 12.255 0.375 1.00 0.00 O ATOM 882 CB ASP A 56 1.670 9.974 1.677 1.00 0.00 C ATOM 883 CG ASP A 56 0.289 9.617 2.244 1.00 0.00 C ATOM 884 OD1 ASP A 56 -0.579 9.194 1.483 1.00 0.00 O ATOM 885 OD2 ASP A 56 0.096 9.761 3.450 1.00 0.00 O ATOM 0 H ASP A 56 3.168 9.610 -0.445 1.00 0.00 H new ATOM 0 HA ASP A 56 0.532 10.939 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.227 9.057 1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.230 10.537 2.424 1.00 0.00 H new ATOM 890 N ILE A 57 1.461 13.103 0.904 1.00 0.00 N ATOM 891 CA ILE A 57 1.940 14.478 0.997 1.00 0.00 C ATOM 892 C ILE A 57 1.288 15.177 2.186 1.00 0.00 C ATOM 893 O ILE A 57 0.075 15.345 2.253 1.00 0.00 O ATOM 894 CB ILE A 57 1.591 15.243 -0.294 1.00 0.00 C ATOM 895 CG1 ILE A 57 1.994 14.462 -1.562 1.00 0.00 C ATOM 896 CG2 ILE A 57 2.217 16.648 -0.282 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.019 15.325 -2.819 1.00 0.00 C ATOM 0 H ILE A 57 0.474 12.967 1.121 1.00 0.00 H new ATOM 0 HA ILE A 57 3.022 14.464 1.132 1.00 0.00 H new ATOM 0 HB ILE A 57 0.507 15.351 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.980 14.023 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.297 13.637 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.957 17.170 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.837 17.208 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.301 16.563 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.310 14.714 -3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.028 15.744 -2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.737 16.135 -2.690 1.00 0.00 H new ATOM 909 N THR A 58 2.184 15.481 3.145 1.00 0.00 N ATOM 910 CA THR A 58 1.796 16.148 4.375 1.00 0.00 C ATOM 911 C THR A 58 2.693 17.365 4.648 1.00 0.00 C ATOM 912 O THR A 58 3.666 17.601 3.948 1.00 0.00 O ATOM 913 CB THR A 58 1.922 15.118 5.531 1.00 0.00 C ATOM 914 OG1 THR A 58 1.577 15.682 6.826 1.00 0.00 O ATOM 915 CG2 THR A 58 3.266 14.288 5.447 1.00 0.00 C ATOM 0 H THR A 58 3.180 15.269 3.079 1.00 0.00 H new ATOM 0 HA THR A 58 0.771 16.511 4.293 1.00 0.00 H new ATOM 0 HB THR A 58 1.154 14.357 5.396 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.671 14.994 7.518 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.309 13.581 6.276 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.299 13.743 4.503 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.117 14.967 5.504 1.00 0.00 H new ATOM 923 N THR A 59 2.277 18.127 5.696 1.00 0.00 N ATOM 924 CA THR A 59 3.011 19.306 6.190 1.00 0.00 C ATOM 925 C THR A 59 4.414 18.928 6.729 1.00 0.00 C ATOM 926 O THR A 59 5.189 19.802 7.087 1.00 0.00 O ATOM 927 CB THR A 59 2.172 20.232 7.131 1.00 0.00 C ATOM 928 OG1 THR A 59 2.922 21.511 7.217 1.00 0.00 O ATOM 929 CG2 THR A 59 1.778 19.499 8.452 1.00 0.00 C ATOM 0 H THR A 59 1.421 17.934 6.217 1.00 0.00 H new ATOM 0 HA THR A 59 3.193 19.943 5.324 1.00 0.00 H new ATOM 0 HB THR A 59 1.182 20.483 6.751 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.881 21.335 7.121 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.196 20.172 9.082 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.182 18.617 8.215 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.680 19.195 8.983 1.00 0.00 H new ATOM 937 N GLN A 60 4.686 17.592 6.813 1.00 0.00 N ATOM 938 CA GLN A 60 5.958 17.132 7.346 1.00 0.00 C ATOM 939 C GLN A 60 6.983 16.844 6.244 1.00 0.00 C ATOM 940 O GLN A 60 8.008 17.503 6.140 1.00 0.00 O ATOM 941 CB GLN A 60 5.750 15.892 8.254 1.00 0.00 C ATOM 942 CG GLN A 60 5.130 16.266 9.609 1.00 0.00 C ATOM 943 CD GLN A 60 4.887 14.999 10.434 1.00 0.00 C ATOM 944 OE1 GLN A 60 5.589 14.003 10.313 1.00 0.00 O ATOM 945 NE2 GLN A 60 3.849 15.105 11.275 1.00 0.00 N ATOM 0 H GLN A 60 4.048 16.852 6.522 1.00 0.00 H new ATOM 0 HA GLN A 60 6.368 17.942 7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.105 15.175 7.746 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.708 15.398 8.418 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.794 16.941 10.149 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.191 16.797 9.456 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.313 15.972 11.316 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.595 14.319 11.874 1.00 0.00 H new ATOM 954 N GLY A 61 6.666 15.797 5.456 1.00 0.00 N ATOM 955 CA GLY A 61 7.552 15.427 4.364 1.00 0.00 C ATOM 956 C GLY A 61 6.818 14.654 3.269 1.00 0.00 C ATOM 957 O GLY A 61 5.737 14.109 3.461 1.00 0.00 O ATOM 0 H GLY A 61 5.832 15.219 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.997 16.326 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.370 14.819 4.751 1.00 0.00 H new ATOM 961 N GLU A 62 7.490 14.662 2.094 1.00 0.00 N ATOM 962 CA GLU A 62 6.959 13.997 0.920 1.00 0.00 C ATOM 963 C GLU A 62 7.385 12.520 0.975 1.00 0.00 C ATOM 964 O GLU A 62 8.567 12.201 1.039 1.00 0.00 O ATOM 965 CB GLU A 62 7.603 14.668 -0.297 1.00 0.00 C ATOM 966 CG GLU A 62 6.674 14.565 -1.492 1.00 0.00 C ATOM 967 CD GLU A 62 7.021 15.634 -2.546 1.00 0.00 C ATOM 968 OE1 GLU A 62 8.034 15.472 -3.226 1.00 0.00 O ATOM 969 OE2 GLU A 62 6.265 16.593 -2.694 1.00 0.00 O ATOM 0 H GLU A 62 8.390 15.121 1.952 1.00 0.00 H new ATOM 0 HA GLU A 62 5.872 14.062 0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.814 15.715 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.557 14.192 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.752 13.572 -1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.641 14.689 -1.167 1.00 0.00 H new ATOM 976 N VAL A 63 6.351 11.654 0.966 1.00 0.00 N ATOM 977 CA VAL A 63 6.582 10.222 1.046 1.00 0.00 C ATOM 978 C VAL A 63 5.666 9.492 0.049 1.00 0.00 C ATOM 979 O VAL A 63 5.001 10.095 -0.780 1.00 0.00 O ATOM 980 CB VAL A 63 6.330 9.776 2.498 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.124 10.628 3.505 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.818 9.782 2.818 1.00 0.00 C ATOM 0 H VAL A 63 5.370 11.927 0.905 1.00 0.00 H new ATOM 0 HA VAL A 63 7.609 9.974 0.778 1.00 0.00 H new ATOM 0 HB VAL A 63 6.691 8.752 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.918 10.281 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.190 10.535 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.827 11.672 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.663 9.464 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.422 10.789 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.301 9.098 2.145 1.00 0.00 H new ATOM 992 N VAL A 64 5.658 8.152 0.233 1.00 0.00 N ATOM 993 CA VAL A 64 4.800 7.260 -0.536 1.00 0.00 C ATOM 994 C VAL A 64 3.826 6.671 0.490 1.00 0.00 C ATOM 995 O VAL A 64 3.647 7.224 1.556 1.00 0.00 O ATOM 996 CB VAL A 64 5.606 6.196 -1.327 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.803 5.391 -2.355 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.657 6.879 -2.146 1.00 0.00 C ATOM 0 H VAL A 64 6.246 7.674 0.916 1.00 0.00 H new ATOM 0 HA VAL A 64 4.259 7.784 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 64 5.978 5.523 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.460 4.676 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.999 4.855 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.378 6.068 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.225 6.134 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.183 7.570 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.329 7.431 -1.489 1.00 0.00 H new ATOM 1008 N LYS A 65 3.169 5.584 0.103 1.00 0.00 N ATOM 1009 CA LYS A 65 2.263 4.821 0.947 1.00 0.00 C ATOM 1010 C LYS A 65 2.456 3.345 0.681 1.00 0.00 C ATOM 1011 O LYS A 65 2.967 2.990 -0.362 1.00 0.00 O ATOM 1012 CB LYS A 65 0.812 5.215 0.696 1.00 0.00 C ATOM 1013 CG LYS A 65 0.446 6.442 1.511 1.00 0.00 C ATOM 1014 CD LYS A 65 0.710 6.257 3.017 1.00 0.00 C ATOM 1015 CE LYS A 65 -0.457 6.699 3.884 1.00 0.00 C ATOM 1016 NZ LYS A 65 -0.065 7.198 5.185 1.00 0.00 N ATOM 0 H LYS A 65 3.256 5.199 -0.837 1.00 0.00 H new ATOM 0 HA LYS A 65 2.491 5.040 1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.662 5.418 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.153 4.387 0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.017 7.297 1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.608 6.674 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.926 5.207 3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.598 6.824 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.012 7.477 3.360 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.137 5.857 4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.835 7.035 5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.790 6.700 5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.131 8.217 5.121 1.00 0.00 H new ATOM 1030 N HIS A 66 1.974 2.504 1.621 1.00 0.00 N ATOM 1031 CA HIS A 66 2.089 1.061 1.421 1.00 0.00 C ATOM 1032 C HIS A 66 0.805 0.352 1.927 1.00 0.00 C ATOM 1033 O HIS A 66 0.554 0.301 3.125 1.00 0.00 O ATOM 1034 CB HIS A 66 3.292 0.538 2.250 1.00 0.00 C ATOM 1035 CG HIS A 66 4.608 0.787 1.546 1.00 0.00 C ATOM 1036 ND1 HIS A 66 4.714 1.041 0.228 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.901 0.791 2.096 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.018 1.199 -0.025 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.763 1.047 1.085 1.00 0.00 N ATOM 0 H HIS A 66 1.521 2.792 2.488 1.00 0.00 H new ATOM 0 HA HIS A 66 2.228 0.855 0.360 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.302 1.027 3.224 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.172 -0.530 2.431 1.00 0.00 H new ATOM 0 HD1 HIS A 66 3.950 1.101 -0.445 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.158 0.622 3.131 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.423 1.421 -1.001 1.00 0.00 H new ATOM 1047 N TYR A 67 0.036 -0.210 0.967 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.200 -0.955 1.289 1.00 0.00 C ATOM 1049 C TYR A 67 -1.065 -2.355 0.646 1.00 0.00 C ATOM 1050 O TYR A 67 -1.191 -2.515 -0.559 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.449 -0.250 0.724 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.716 1.104 1.347 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.298 1.180 2.604 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.365 2.281 0.699 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -3.496 2.415 3.221 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.547 3.526 1.302 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.122 3.608 2.591 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.306 4.797 3.321 1.00 0.00 O ATOM 0 H TYR A 67 0.248 -0.162 -0.030 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.322 -1.015 2.370 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.331 -0.128 -0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.318 -0.889 0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.600 0.275 3.109 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.942 2.232 -0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.946 2.452 4.202 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.249 4.426 0.785 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.010 5.561 2.783 1.00 0.00 H new ATOM 1068 N LYS A 68 -0.797 -3.346 1.518 1.00 0.00 N ATOM 1069 CA LYS A 68 -0.611 -4.736 1.080 1.00 0.00 C ATOM 1070 C LYS A 68 -1.953 -5.449 0.744 1.00 0.00 C ATOM 1071 O LYS A 68 -2.877 -5.526 1.543 1.00 0.00 O ATOM 1072 CB LYS A 68 0.207 -5.565 2.082 1.00 0.00 C ATOM 1073 CG LYS A 68 -0.028 -5.219 3.525 1.00 0.00 C ATOM 1074 CD LYS A 68 -1.455 -5.506 3.931 1.00 0.00 C ATOM 1075 CE LYS A 68 -1.618 -5.679 5.429 1.00 0.00 C ATOM 1076 NZ LYS A 68 -1.599 -4.406 6.136 1.00 0.00 N ATOM 0 H LYS A 68 -0.705 -3.207 2.524 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.037 -4.671 0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.024 -6.620 1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.266 -5.436 1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.654 -5.791 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.195 -4.165 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.095 -4.691 3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.796 -6.410 3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.558 -6.192 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.818 -6.315 5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.714 -4.574 7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.692 -3.927 5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.378 -3.807 5.794 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.047 -5.874 -0.512 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.166 -6.700 -0.986 1.00 0.00 C ATOM 1092 C ILE A 69 -2.817 -8.173 -0.844 1.00 0.00 C ATOM 1093 O ILE A 69 -1.745 -8.615 -1.232 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.606 -6.389 -2.426 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -2.502 -5.903 -3.336 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.824 -5.553 -2.535 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.361 -4.380 -3.393 1.00 0.00 C ATOM 0 H ILE A 69 -1.356 -5.660 -1.231 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.020 -6.452 -0.355 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.886 -7.373 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.557 -6.332 -3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.685 -6.278 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.058 -5.386 -3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.659 -6.062 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.653 -4.595 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.547 -4.115 -4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.291 -3.942 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.145 -3.997 -2.396 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.779 -8.907 -0.272 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.607 -10.343 -0.116 1.00 0.00 C ATOM 1111 C ARG A 70 -4.317 -11.002 -1.283 1.00 0.00 C ATOM 1112 O ARG A 70 -5.031 -10.351 -2.031 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.220 -10.826 1.202 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.250 -10.538 2.346 1.00 0.00 C ATOM 1115 CD ARG A 70 -3.675 -9.257 3.057 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.206 -9.224 4.445 1.00 0.00 N ATOM 1117 CZ ARG A 70 -1.896 -9.237 4.774 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -0.959 -9.239 3.838 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -1.533 -9.256 6.047 1.00 0.00 N ATOM 0 H ARG A 70 -4.661 -8.536 0.080 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.547 -10.598 -0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.170 -10.323 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.430 -11.894 1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.240 -11.371 3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.236 -10.434 1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.280 -8.395 2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.762 -9.174 3.038 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.898 -9.190 5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.222 -9.231 2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.026 -9.249 4.103 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.243 -9.261 6.780 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.544 -9.266 6.295 1.00 0.00 H new ATOM 1133 N SER A 71 -4.158 -12.334 -1.325 1.00 0.00 N ATOM 1134 CA SER A 71 -4.785 -13.092 -2.407 1.00 0.00 C ATOM 1135 C SER A 71 -5.674 -14.176 -1.804 1.00 0.00 C ATOM 1136 O SER A 71 -5.201 -15.109 -1.167 1.00 0.00 O ATOM 1137 CB SER A 71 -3.737 -13.775 -3.337 1.00 0.00 C ATOM 1138 OG SER A 71 -2.746 -14.473 -2.432 1.00 0.00 O ATOM 0 H SER A 71 -3.624 -12.885 -0.652 1.00 0.00 H new ATOM 0 HA SER A 71 -5.363 -12.389 -3.007 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.219 -14.488 -4.006 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.236 -13.037 -3.964 1.00 0.00 H new ATOM 0 HG SER A 71 -3.230 -14.998 -1.760 1.00 0.00 H new ATOM 1144 N LEU A 72 -6.993 -13.960 -2.011 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.001 -14.882 -1.530 1.00 0.00 C ATOM 1146 C LEU A 72 -8.384 -15.848 -2.629 1.00 0.00 C ATOM 1147 O LEU A 72 -8.442 -15.505 -3.803 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.231 -14.129 -1.014 1.00 0.00 C ATOM 1149 CG LEU A 72 -8.867 -12.833 -0.308 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.656 -13.035 0.621 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.703 -11.685 -1.319 1.00 0.00 C ATOM 0 H LEU A 72 -7.366 -13.152 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.585 -15.447 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.895 -13.909 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.784 -14.770 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.688 -12.534 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.415 -12.094 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.895 -13.788 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.799 -13.367 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.443 -10.768 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.911 -11.933 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.639 -11.539 -1.859 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.693 -17.057 -2.142 1.00 0.00 N ATOM 1164 CA ASP A 73 -9.103 -18.106 -3.065 1.00 0.00 C ATOM 1165 C ASP A 73 -10.426 -17.785 -3.784 1.00 0.00 C ATOM 1166 O ASP A 73 -10.604 -18.127 -4.946 1.00 0.00 O ATOM 1167 CB ASP A 73 -9.287 -19.428 -2.317 1.00 0.00 C ATOM 1168 CG ASP A 73 -10.391 -19.350 -1.240 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -10.217 -18.621 -0.265 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -11.422 -20.000 -1.409 1.00 0.00 O ATOM 0 H ASP A 73 -8.668 -17.320 -1.157 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.310 -18.180 -3.810 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.535 -20.214 -3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.345 -19.710 -1.847 1.00 0.00 H new ATOM 1175 N ASN A 74 -11.286 -17.033 -3.056 1.00 0.00 N ATOM 1176 CA ASN A 74 -12.603 -16.709 -3.606 1.00 0.00 C ATOM 1177 C ASN A 74 -12.976 -15.233 -3.363 1.00 0.00 C ATOM 1178 O ASN A 74 -14.127 -14.873 -3.145 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.687 -17.583 -2.943 1.00 0.00 C ATOM 1180 CG ASN A 74 -13.837 -17.333 -1.425 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -12.999 -16.720 -0.779 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -14.974 -17.821 -0.906 1.00 0.00 N ATOM 0 H ASN A 74 -11.095 -16.658 -2.127 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.553 -16.897 -4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.643 -17.394 -3.431 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.447 -18.633 -3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.181 -17.689 0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.632 -18.324 -1.502 1.00 0.00 H new ATOM 1189 N GLY A 75 -11.910 -14.418 -3.445 1.00 0.00 N ATOM 1190 CA GLY A 75 -12.085 -12.981 -3.243 1.00 0.00 C ATOM 1191 C GLY A 75 -11.061 -12.097 -3.945 1.00 0.00 C ATOM 1192 O GLY A 75 -11.051 -10.891 -3.774 1.00 0.00 O ATOM 0 H GLY A 75 -10.956 -14.720 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.080 -12.701 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.048 -12.774 -2.174 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.215 -12.746 -4.757 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.196 -12.049 -5.521 1.00 0.00 C ATOM 1198 C GLY A 76 -8.162 -11.338 -4.662 1.00 0.00 C ATOM 1199 O GLY A 76 -7.163 -11.922 -4.270 1.00 0.00 O ATOM 0 H GLY A 76 -10.224 -13.757 -4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.687 -12.764 -6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.679 -11.319 -6.171 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.501 -10.069 -4.336 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.621 -9.231 -3.551 1.00 0.00 C ATOM 1205 C TYR A 77 -8.481 -8.400 -2.624 1.00 0.00 C ATOM 1206 O TYR A 77 -9.593 -8.007 -2.953 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.747 -8.331 -4.463 1.00 0.00 C ATOM 1208 CG TYR A 77 -5.872 -9.158 -5.370 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -6.351 -9.626 -6.585 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -4.578 -9.460 -4.997 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -5.587 -10.406 -7.437 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -3.782 -10.261 -5.822 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.265 -10.749 -7.046 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.360 -11.568 -7.746 1.00 0.00 O ATOM 0 H TYR A 77 -9.376 -9.623 -4.611 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.934 -9.847 -2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.388 -7.685 -5.063 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.125 -7.681 -3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.359 -9.372 -6.878 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.180 -9.078 -4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.988 -10.747 -8.380 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.778 -10.508 -5.512 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.521 -11.631 -7.244 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.852 -8.119 -1.465 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.605 -7.301 -0.476 1.00 0.00 C ATOM 1226 C TYR A 78 -7.661 -6.488 0.399 1.00 0.00 C ATOM 1227 O TYR A 78 -6.578 -6.942 0.760 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.588 -8.115 0.420 1.00 0.00 C ATOM 1229 CG TYR A 78 -9.062 -8.640 1.763 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -9.052 -7.819 2.894 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.612 -9.951 1.920 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.614 -8.261 4.137 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -8.182 -10.418 3.168 1.00 0.00 C ATOM 1234 CZ TYR A 78 -8.183 -9.583 4.297 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.748 -10.052 5.541 1.00 0.00 O ATOM 0 H TYR A 78 -6.912 -8.411 -1.199 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.221 -6.633 -1.078 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.456 -7.487 0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.940 -8.969 -0.159 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.398 -6.801 2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.595 -10.614 1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.606 -7.585 4.979 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.843 -11.439 3.264 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.488 -10.994 5.463 1.00 0.00 H new ATOM 1245 N ILE A 79 -8.095 -5.212 0.606 1.00 0.00 N ATOM 1246 CA ILE A 79 -7.252 -4.331 1.465 1.00 0.00 C ATOM 1247 C ILE A 79 -8.031 -4.027 2.748 1.00 0.00 C ATOM 1248 O ILE A 79 -7.514 -4.104 3.857 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.707 -3.040 0.791 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.633 -2.530 -0.273 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.300 -3.204 0.225 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -7.113 -1.232 -0.976 1.00 0.00 C ATOM 0 H ILE A 79 -8.947 -4.797 0.228 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.338 -4.884 1.682 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.651 -2.301 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.777 -3.308 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.609 -2.329 0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.980 -2.267 -0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.613 -3.470 1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.300 -3.992 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.830 -0.917 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.995 -0.440 -0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.151 -1.434 -1.448 1.00 0.00 H new ATOM 1264 N SER A 80 -9.332 -3.802 2.511 1.00 0.00 N ATOM 1265 CA SER A 80 -10.244 -3.530 3.593 1.00 0.00 C ATOM 1266 C SER A 80 -11.190 -4.727 3.475 1.00 0.00 C ATOM 1267 O SER A 80 -11.812 -4.922 2.438 1.00 0.00 O ATOM 1268 CB SER A 80 -11.058 -2.223 3.380 1.00 0.00 C ATOM 1269 OG SER A 80 -10.235 -0.971 3.267 1.00 0.00 O ATOM 0 H SER A 80 -9.757 -3.806 1.584 1.00 0.00 H new ATOM 0 HA SER A 80 -9.739 -3.401 4.550 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.656 -2.329 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.755 -2.108 4.210 1.00 0.00 H new ATOM 0 HG SER A 80 -10.827 -0.201 3.133 1.00 0.00 H new ATOM 1275 N PRO A 81 -11.296 -5.533 4.572 1.00 0.00 N ATOM 1276 CA PRO A 81 -12.104 -6.740 4.519 1.00 0.00 C ATOM 1277 C PRO A 81 -13.582 -6.525 4.174 1.00 0.00 C ATOM 1278 O PRO A 81 -14.259 -7.444 3.731 1.00 0.00 O ATOM 1279 CB PRO A 81 -12.013 -7.266 5.967 1.00 0.00 C ATOM 1280 CG PRO A 81 -11.006 -6.428 6.747 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.601 -5.315 5.824 1.00 0.00 C ATOM 0 HA PRO A 81 -11.738 -7.400 3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.991 -7.218 6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.709 -8.313 5.967 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.449 -6.036 7.662 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.143 -7.026 7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.865 -4.346 6.248 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.522 -5.313 5.671 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.980 -5.235 4.211 1.00 0.00 N ATOM 1290 CA ARG A 82 -15.343 -4.913 3.808 1.00 0.00 C ATOM 1291 C ARG A 82 -15.416 -5.064 2.267 1.00 0.00 C ATOM 1292 O ARG A 82 -16.267 -5.766 1.737 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.768 -3.509 4.278 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.649 -2.455 4.250 1.00 0.00 C ATOM 1295 CD ARG A 82 -14.095 -2.170 5.651 1.00 0.00 C ATOM 1296 NE ARG A 82 -13.526 -0.827 5.715 1.00 0.00 N ATOM 1297 CZ ARG A 82 -14.306 0.262 5.888 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -15.625 0.147 5.983 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -13.755 1.464 5.952 1.00 0.00 N ATOM 0 H ARG A 82 -13.404 -4.445 4.501 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.048 -5.596 4.283 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.589 -3.164 3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.154 -3.583 5.295 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.842 -2.800 3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.032 -1.531 3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.890 -2.269 6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.332 -2.907 5.903 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.517 -0.708 5.627 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.062 -0.773 5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.201 0.978 6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.743 1.566 5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.342 2.288 6.083 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.493 -4.336 1.593 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.354 -4.345 0.133 1.00 0.00 C ATOM 1315 C ILE A 83 -13.221 -5.283 -0.422 1.00 0.00 C ATOM 1316 O ILE A 83 -12.021 -5.214 -0.085 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.285 -2.933 -0.415 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -13.242 -2.129 0.319 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.642 -2.199 -0.364 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.324 -0.701 -0.233 1.00 0.00 C ATOM 0 H ILE A 83 -13.823 -3.724 2.059 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.265 -4.807 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.008 -3.025 -1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.428 -2.141 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.248 -2.549 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.527 -1.194 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.375 -2.748 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.983 -2.136 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.586 -0.074 0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -13.123 -0.713 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.321 -0.299 -0.055 1.00 0.00 H new ATOM 1332 N THR A 84 -13.743 -6.126 -1.362 1.00 0.00 N ATOM 1333 CA THR A 84 -12.901 -7.115 -2.041 1.00 0.00 C ATOM 1334 C THR A 84 -13.152 -7.016 -3.563 1.00 0.00 C ATOM 1335 O THR A 84 -14.195 -6.545 -4.002 1.00 0.00 O ATOM 1336 CB THR A 84 -13.391 -8.484 -1.494 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.876 -8.549 -0.097 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.224 -9.501 -1.557 1.00 0.00 C ATOM 0 H THR A 84 -14.721 -6.129 -1.650 1.00 0.00 H new ATOM 0 HA THR A 84 -11.834 -6.971 -1.869 1.00 0.00 H new ATOM 0 HB THR A 84 -14.249 -8.693 -2.132 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.153 -9.466 0.111 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.560 -10.465 -1.175 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.896 -9.615 -2.590 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.393 -9.140 -0.951 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.132 -7.475 -4.306 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.237 -7.426 -5.771 1.00 0.00 C ATOM 1348 C PHE A 85 -11.591 -8.687 -6.383 1.00 0.00 C ATOM 1349 O PHE A 85 -10.774 -9.313 -5.741 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.581 -6.125 -6.242 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.347 -4.892 -5.783 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.473 -4.455 -6.486 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.943 -4.167 -4.656 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -14.167 -3.314 -6.079 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.633 -3.027 -4.254 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.752 -2.601 -4.961 1.00 0.00 C ATOM 0 H PHE A 85 -11.265 -7.866 -3.938 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.276 -7.425 -6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.560 -6.078 -5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.517 -6.126 -7.330 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.810 -5.005 -7.352 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -11.084 -4.497 -4.090 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.031 -2.984 -6.636 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -12.298 -2.472 -3.390 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.294 -1.723 -4.644 1.00 0.00 H new ATOM 1366 N PRO A 86 -11.943 -9.039 -7.647 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.358 -10.209 -8.323 1.00 0.00 C ATOM 1368 C PRO A 86 -9.862 -10.040 -8.682 1.00 0.00 C ATOM 1369 O PRO A 86 -9.054 -10.927 -8.439 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.183 -10.339 -9.628 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.194 -9.179 -9.663 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.049 -8.413 -8.357 1.00 0.00 C ATOM 0 HA PRO A 86 -11.397 -11.080 -7.669 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.529 -10.302 -10.499 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.700 -11.298 -9.659 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.001 -8.527 -10.515 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.210 -9.558 -9.776 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.846 -7.358 -8.543 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -13.967 -8.463 -7.771 1.00 0.00 H new ATOM 1380 N THR A 87 -9.530 -8.840 -9.204 1.00 0.00 N ATOM 1381 CA THR A 87 -8.152 -8.513 -9.607 1.00 0.00 C ATOM 1382 C THR A 87 -7.905 -7.091 -9.107 1.00 0.00 C ATOM 1383 O THR A 87 -8.816 -6.396 -8.672 1.00 0.00 O ATOM 1384 CB THR A 87 -7.844 -8.725 -11.138 1.00 0.00 C ATOM 1385 OG1 THR A 87 -6.737 -7.795 -11.541 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.153 -8.526 -11.944 1.00 0.00 C ATOM 0 H THR A 87 -10.199 -8.085 -9.355 1.00 0.00 H new ATOM 0 HA THR A 87 -7.448 -9.212 -9.156 1.00 0.00 H new ATOM 0 HB THR A 87 -7.497 -9.737 -11.348 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.535 -7.919 -12.492 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.952 -8.670 -13.006 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.897 -9.251 -11.614 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.531 -7.517 -11.780 1.00 0.00 H new ATOM 1394 N LEU A 88 -6.623 -6.674 -9.231 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.313 -5.329 -8.788 1.00 0.00 C ATOM 1396 C LEU A 88 -6.873 -4.328 -9.806 1.00 0.00 C ATOM 1397 O LEU A 88 -6.909 -3.150 -9.522 1.00 0.00 O ATOM 1398 CB LEU A 88 -4.795 -5.099 -8.715 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.106 -5.518 -7.426 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -4.691 -4.782 -6.262 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.175 -6.960 -7.099 1.00 0.00 C ATOM 0 H LEU A 88 -5.847 -7.218 -9.609 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.751 -5.194 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.329 -5.636 -9.541 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.603 -4.038 -8.875 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.058 -5.275 -7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.188 -5.092 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.557 -3.710 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.755 -5.008 -6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.652 -7.146 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.218 -7.261 -6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.706 -7.537 -7.896 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.298 -4.793 -10.998 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.880 -3.802 -11.924 1.00 0.00 C ATOM 1415 C GLN A 89 -9.212 -3.238 -11.398 1.00 0.00 C ATOM 1416 O GLN A 89 -9.404 -2.034 -11.402 1.00 0.00 O ATOM 1417 CB GLN A 89 -8.013 -4.321 -13.369 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.769 -5.632 -13.433 1.00 0.00 C ATOM 1419 CD GLN A 89 -10.242 -5.492 -13.816 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -11.087 -6.039 -12.931 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -10.582 -4.922 -14.842 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.258 -5.759 -11.323 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.166 -2.980 -11.964 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.527 -3.576 -13.976 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.020 -4.453 -13.800 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.279 -6.285 -14.155 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.703 -6.123 -12.462 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.876 -4.531 -15.466 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.572 -4.837 -15.074 1.00 0.00 H new ATOM 1430 N ALA A 90 -10.101 -4.142 -10.926 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.403 -3.672 -10.441 1.00 0.00 C ATOM 1432 C ALA A 90 -11.272 -2.957 -9.086 1.00 0.00 C ATOM 1433 O ALA A 90 -12.098 -2.136 -8.709 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.357 -4.891 -10.264 1.00 0.00 C ATOM 0 H ALA A 90 -9.947 -5.149 -10.874 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.800 -2.969 -11.173 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.326 -4.545 -9.904 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.485 -5.395 -11.222 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.929 -5.587 -9.542 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.184 -3.299 -8.381 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.934 -2.662 -7.102 1.00 0.00 C ATOM 1442 C LEU A 91 -9.412 -1.238 -7.319 1.00 0.00 C ATOM 1443 O LEU A 91 -9.881 -0.281 -6.725 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.958 -3.548 -6.324 1.00 0.00 C ATOM 1445 CG LEU A 91 -8.034 -2.801 -5.355 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.688 -3.652 -4.124 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.778 -2.348 -6.132 1.00 0.00 C ATOM 0 H LEU A 91 -9.491 -3.990 -8.670 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.849 -2.562 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.530 -4.285 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.344 -4.098 -7.037 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.546 -1.922 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.032 -3.086 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.603 -3.911 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.183 -4.564 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.107 -1.814 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.266 -3.221 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.073 -1.689 -6.949 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.472 -1.157 -8.270 1.00 0.00 N ATOM 1460 CA VAL A 92 -7.795 0.102 -8.549 1.00 0.00 C ATOM 1461 C VAL A 92 -8.755 1.088 -9.272 1.00 0.00 C ATOM 1462 O VAL A 92 -8.717 2.283 -9.035 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.506 -0.264 -9.335 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.807 0.910 -9.943 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.383 -0.879 -8.475 1.00 0.00 C ATOM 0 H VAL A 92 -8.171 -1.941 -8.849 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.503 0.641 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.915 -0.959 -10.069 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.918 0.569 -10.473 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.477 1.410 -10.642 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.516 1.607 -9.157 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.523 -1.103 -9.106 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.090 -0.172 -7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.742 -1.798 -8.011 1.00 0.00 H new ATOM 1475 N GLN A 93 -9.615 0.506 -10.138 1.00 0.00 N ATOM 1476 CA GLN A 93 -10.620 1.220 -10.902 1.00 0.00 C ATOM 1477 C GLN A 93 -11.579 1.962 -9.944 1.00 0.00 C ATOM 1478 O GLN A 93 -11.891 3.137 -10.052 1.00 0.00 O ATOM 1479 CB GLN A 93 -11.395 0.381 -11.923 1.00 0.00 C ATOM 1480 CG GLN A 93 -12.670 -0.273 -11.405 1.00 0.00 C ATOM 1481 CD GLN A 93 -13.389 -1.007 -12.546 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -13.418 -2.224 -12.635 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -13.948 -0.157 -13.428 1.00 0.00 N ATOM 0 H GLN A 93 -9.616 -0.498 -10.317 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.068 1.933 -11.514 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.653 1.018 -12.769 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.735 -0.400 -12.301 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.429 -0.974 -10.606 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.328 0.484 -10.978 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.879 0.850 -13.280 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.441 -0.520 -14.244 1.00 0.00 H new ATOM 1492 N HIS A 94 -11.881 1.188 -8.860 1.00 0.00 N ATOM 1493 CA HIS A 94 -12.848 1.686 -7.893 1.00 0.00 C ATOM 1494 C HIS A 94 -12.223 2.866 -7.145 1.00 0.00 C ATOM 1495 O HIS A 94 -12.810 3.938 -7.064 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.181 0.547 -6.915 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.482 0.823 -6.200 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.600 0.917 -4.860 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -15.748 1.029 -6.773 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.899 1.174 -4.622 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.615 1.247 -5.758 1.00 0.00 N ATOM 0 H HIS A 94 -11.483 0.271 -8.658 1.00 0.00 H new ATOM 0 HA HIS A 94 -13.762 2.019 -8.384 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.251 -0.396 -7.457 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.376 0.438 -6.188 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.985 1.016 -7.827 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -16.317 1.306 -3.635 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.615 1.431 -5.838 1.00 0.00 H new ATOM 1509 N TYR A 95 -10.949 2.654 -6.747 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.241 3.738 -6.083 1.00 0.00 C ATOM 1511 C TYR A 95 -9.897 4.847 -7.118 1.00 0.00 C ATOM 1512 O TYR A 95 -9.459 5.916 -6.712 1.00 0.00 O ATOM 1513 CB TYR A 95 -8.978 3.246 -5.343 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.335 2.443 -4.114 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -9.937 3.031 -3.010 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -9.088 1.086 -4.093 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.344 2.264 -1.935 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.443 0.293 -3.023 1.00 0.00 C ATOM 1519 CZ TYR A 95 -10.075 0.903 -1.908 1.00 0.00 C ATOM 1520 OH TYR A 95 -10.481 0.319 -0.719 1.00 0.00 O ATOM 0 H TYR A 95 -10.425 1.788 -6.870 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.898 4.155 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.375 2.636 -6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.367 4.102 -5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.089 4.100 -2.991 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.601 0.630 -4.942 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.873 2.725 -1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.245 -0.769 -3.033 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.276 -0.639 -0.738 1.00 0.00 H new ATOM 1530 N SER A 96 -10.141 4.566 -8.453 1.00 0.00 N ATOM 1531 CA SER A 96 -9.865 5.654 -9.422 1.00 0.00 C ATOM 1532 C SER A 96 -11.024 6.698 -9.422 1.00 0.00 C ATOM 1533 O SER A 96 -10.908 7.723 -10.084 1.00 0.00 O ATOM 1534 CB SER A 96 -9.754 5.228 -10.925 1.00 0.00 C ATOM 1535 OG SER A 96 -8.678 4.181 -11.171 1.00 0.00 O ATOM 0 H SER A 96 -10.491 3.687 -8.835 1.00 0.00 H new ATOM 0 HA SER A 96 -8.902 6.032 -9.078 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.716 4.837 -11.258 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.541 6.109 -11.531 1.00 0.00 H new ATOM 0 HG SER A 96 -8.706 3.510 -10.458 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.097 6.436 -8.638 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.187 7.430 -8.638 1.00 0.00 C ATOM 1543 C LYS A 97 -13.237 8.255 -7.337 1.00 0.00 C ATOM 1544 O LYS A 97 -13.608 9.421 -7.350 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.528 6.681 -8.721 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.944 6.330 -10.153 1.00 0.00 C ATOM 1547 CD LYS A 97 -14.082 5.220 -10.751 1.00 0.00 C ATOM 1548 CE LYS A 97 -14.777 4.519 -11.920 1.00 0.00 C ATOM 1549 NZ LYS A 97 -14.865 5.370 -13.100 1.00 0.00 N ATOM 0 H LYS A 97 -12.226 5.616 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.011 8.098 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.460 5.764 -8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.306 7.293 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.989 6.019 -10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.872 7.220 -10.778 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.136 5.640 -11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.846 4.488 -9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.233 3.609 -12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.779 4.217 -11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.343 4.853 -13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.407 6.227 -12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.908 5.637 -13.407 1.00 0.00 H new ATOM 1563 N LYS A 98 -12.776 7.632 -6.234 1.00 0.00 N ATOM 1564 CA LYS A 98 -12.750 8.377 -4.978 1.00 0.00 C ATOM 1565 C LYS A 98 -11.699 7.759 -4.051 1.00 0.00 C ATOM 1566 O LYS A 98 -10.942 6.870 -4.424 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.166 8.507 -4.374 1.00 0.00 C ATOM 1568 CG LYS A 98 -14.611 7.282 -3.593 1.00 0.00 C ATOM 1569 CD LYS A 98 -14.780 6.042 -4.471 1.00 0.00 C ATOM 1570 CE LYS A 98 -13.576 5.093 -4.397 1.00 0.00 C ATOM 1571 NZ LYS A 98 -13.966 3.713 -4.598 1.00 0.00 N ATOM 0 H LYS A 98 -12.437 6.671 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.441 9.409 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.193 9.376 -3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.879 8.693 -5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.880 7.071 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.556 7.499 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.679 5.506 -4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.929 6.352 -5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.842 5.377 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.091 5.196 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.207 3.086 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.837 3.517 -4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.134 3.544 -5.610 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.778 8.208 -2.788 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.845 7.749 -1.771 1.00 0.00 C ATOM 1587 C GLY A 99 -11.601 7.130 -0.612 1.00 0.00 C ATOM 1588 O GLY A 99 -11.547 7.568 0.529 1.00 0.00 O ATOM 0 H GLY A 99 -12.472 8.879 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.159 7.019 -2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.241 8.584 -1.417 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.319 6.061 -1.012 1.00 0.00 N ATOM 1593 CA ASP A 100 -13.150 5.292 -0.081 1.00 0.00 C ATOM 1594 C ASP A 100 -12.319 4.379 0.846 1.00 0.00 C ATOM 1595 O ASP A 100 -12.835 3.496 1.519 1.00 0.00 O ATOM 1596 CB ASP A 100 -14.193 4.444 -0.825 1.00 0.00 C ATOM 1597 CG ASP A 100 -15.478 4.246 0.031 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -15.404 4.265 1.261 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -16.548 4.095 -0.549 1.00 0.00 O ATOM 0 H ASP A 100 -12.336 5.716 -1.972 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.659 6.031 0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.452 4.927 -1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.765 3.472 -1.072 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.007 4.621 0.841 1.00 0.00 N ATOM 1605 CA GLY A 101 -10.162 3.785 1.667 1.00 0.00 C ATOM 1606 C GLY A 101 -8.835 4.447 1.949 1.00 0.00 C ATOM 1607 O GLY A 101 -8.466 4.632 3.103 1.00 0.00 O ATOM 0 H GLY A 101 -10.535 5.348 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.669 3.569 2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.995 2.830 1.169 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.156 4.820 0.828 1.00 0.00 N ATOM 1612 CA LEU A 102 -6.848 5.430 0.990 1.00 0.00 C ATOM 1613 C LEU A 102 -6.904 6.961 1.096 1.00 0.00 C ATOM 1614 O LEU A 102 -5.867 7.612 1.142 1.00 0.00 O ATOM 1615 CB LEU A 102 -5.906 5.036 -0.177 1.00 0.00 C ATOM 1616 CG LEU A 102 -6.178 3.652 -0.773 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -5.068 3.251 -1.743 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.362 2.549 0.288 1.00 0.00 C ATOM 0 H LEU A 102 -8.484 4.710 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.457 5.047 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.995 5.782 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.876 5.069 0.177 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.124 3.741 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.283 2.264 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.013 3.978 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.115 3.224 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.551 1.596 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.458 2.471 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.207 2.799 0.930 1.00 0.00 H new ATOM 1630 N CYS A 103 -8.149 7.493 1.180 1.00 0.00 N ATOM 1631 CA CYS A 103 -8.392 8.941 1.263 1.00 0.00 C ATOM 1632 C CYS A 103 -7.690 9.753 0.135 1.00 0.00 C ATOM 1633 O CYS A 103 -7.575 10.971 0.217 1.00 0.00 O ATOM 1634 CB CYS A 103 -7.992 9.460 2.656 1.00 0.00 C ATOM 1635 SG CYS A 103 -6.229 9.853 2.831 1.00 0.00 S ATOM 0 H CYS A 103 -9.000 6.930 1.192 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.460 9.095 1.112 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.575 10.354 2.879 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.260 8.711 3.401 1.00 0.00 H new ATOM 0 HG CYS A 103 -5.525 9.011 2.134 1.00 0.00 H new ATOM 1641 N GLN A 104 -7.241 9.016 -0.908 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.537 9.625 -2.016 1.00 0.00 C ATOM 1643 C GLN A 104 -6.763 8.749 -3.227 1.00 0.00 C ATOM 1644 O GLN A 104 -6.091 7.749 -3.443 1.00 0.00 O ATOM 1645 CB GLN A 104 -5.026 9.720 -1.704 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.607 10.907 -0.818 1.00 0.00 C ATOM 1647 CD GLN A 104 -4.915 12.235 -1.528 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -4.990 12.319 -2.749 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -5.104 13.255 -0.683 1.00 0.00 N ATOM 0 H GLN A 104 -7.362 8.006 -0.988 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.905 10.635 -2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.715 8.797 -1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.481 9.782 -2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.136 10.864 0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.542 10.845 -0.594 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.024 13.105 0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.328 14.182 -1.045 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.739 9.218 -4.008 1.00 0.00 N ATOM 1659 CA LYS A 105 -8.101 8.514 -5.221 1.00 0.00 C ATOM 1660 C LYS A 105 -6.952 8.615 -6.234 1.00 0.00 C ATOM 1661 O LYS A 105 -5.989 9.354 -6.071 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.358 9.130 -5.756 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.148 10.399 -6.561 1.00 0.00 C ATOM 1664 CD LYS A 105 -10.323 11.314 -6.315 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.381 11.771 -4.845 1.00 0.00 C ATOM 1666 NZ LYS A 105 -10.939 13.111 -4.714 1.00 0.00 N ATOM 0 H LYS A 105 -8.277 10.064 -3.821 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.276 7.456 -5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.867 8.398 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.022 9.351 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.219 10.886 -6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.063 10.166 -7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.250 12.185 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.248 10.799 -6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.985 11.069 -4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.378 11.752 -4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.961 13.381 -3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.349 13.786 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.906 13.123 -5.097 1.00 0.00 H new ATOM 1680 N LEU A 106 -7.127 7.818 -7.276 1.00 0.00 N ATOM 1681 CA LEU A 106 -6.127 7.761 -8.337 1.00 0.00 C ATOM 1682 C LEU A 106 -6.323 8.939 -9.298 1.00 0.00 C ATOM 1683 O LEU A 106 -7.413 9.154 -9.817 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.225 6.446 -9.122 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.432 5.241 -8.211 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -6.054 3.945 -8.898 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.587 5.286 -6.968 1.00 0.00 C ATOM 0 H LEU A 106 -7.935 7.211 -7.412 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.141 7.816 -7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.051 6.509 -9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.315 6.305 -9.705 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.492 5.281 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.216 3.111 -8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.670 3.811 -9.787 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.003 3.979 -9.186 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.782 4.400 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.533 5.312 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.833 6.179 -6.393 1.00 0.00 H new ATOM 1699 N THR A 107 -5.223 9.684 -9.491 1.00 0.00 N ATOM 1700 CA THR A 107 -5.301 10.826 -10.392 1.00 0.00 C ATOM 1701 C THR A 107 -4.516 10.530 -11.687 1.00 0.00 C ATOM 1702 O THR A 107 -5.105 10.413 -12.753 1.00 0.00 O ATOM 1703 CB THR A 107 -4.832 12.129 -9.729 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.380 11.924 -9.507 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.619 12.296 -8.383 1.00 0.00 C ATOM 0 H THR A 107 -4.315 9.523 -9.056 1.00 0.00 H new ATOM 0 HA THR A 107 -6.350 10.980 -10.647 1.00 0.00 H new ATOM 0 HB THR A 107 -5.008 13.029 -10.318 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.872 12.455 -10.155 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.305 13.216 -7.890 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.688 12.342 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.412 11.446 -7.732 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.182 10.393 -11.543 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.317 10.126 -12.690 1.00 0.00 C ATOM 1715 C LEU A 108 -1.260 9.094 -12.303 1.00 0.00 C ATOM 1716 O LEU A 108 -0.263 9.465 -11.706 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.664 11.375 -13.223 1.00 0.00 C ATOM 1718 CG LEU A 108 -2.633 12.263 -14.018 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -2.584 13.719 -13.565 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -2.340 12.140 -15.515 1.00 0.00 C ATOM 0 H LEU A 108 -2.693 10.463 -10.651 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.942 9.733 -13.492 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.253 11.948 -12.391 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.826 11.097 -13.862 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.647 11.912 -13.824 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.286 14.308 -14.156 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.855 13.781 -12.511 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.576 14.110 -13.704 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.030 12.772 -16.074 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.316 12.458 -15.713 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.465 11.103 -15.826 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.491 7.798 -12.656 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.593 6.694 -12.314 1.00 0.00 C ATOM 1734 C PRO A 109 0.853 6.941 -12.773 1.00 0.00 C ATOM 1735 O PRO A 109 1.250 6.619 -13.881 1.00 0.00 O ATOM 1736 CB PRO A 109 -1.149 5.447 -13.021 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.502 5.867 -13.582 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.606 7.402 -13.478 1.00 0.00 C ATOM 0 HA PRO A 109 -0.555 6.580 -11.231 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.480 5.115 -13.815 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.254 4.615 -12.325 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.600 5.548 -14.620 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.310 5.392 -13.025 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.556 7.868 -14.462 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.553 7.704 -13.030 1.00 0.00 H new ATOM 1746 N CYS A 110 1.615 7.452 -11.806 1.00 0.00 N ATOM 1747 CA CYS A 110 3.048 7.776 -11.949 1.00 0.00 C ATOM 1748 C CYS A 110 3.426 8.296 -13.362 1.00 0.00 C ATOM 1749 O CYS A 110 2.606 8.858 -14.081 1.00 0.00 O ATOM 1750 CB CYS A 110 3.867 6.552 -11.531 1.00 0.00 C ATOM 1751 SG CYS A 110 3.944 5.278 -12.811 1.00 0.00 S ATOM 0 H CYS A 110 1.251 7.660 -10.876 1.00 0.00 H new ATOM 0 HA CYS A 110 3.283 8.611 -11.289 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.880 6.868 -11.281 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.434 6.124 -10.627 1.00 0.00 H new ATOM 0 HG CYS A 110 4.655 4.277 -12.384 1.00 0.00 H new ATOM 1757 N VAL A 111 4.702 8.042 -13.732 1.00 0.00 N ATOM 1758 CA VAL A 111 5.157 8.429 -15.063 1.00 0.00 C ATOM 1759 C VAL A 111 6.444 7.648 -15.377 1.00 0.00 C ATOM 1760 O VAL A 111 6.858 6.780 -14.619 1.00 0.00 O ATOM 1761 CB VAL A 111 5.337 9.964 -15.143 1.00 0.00 C ATOM 1762 CG1 VAL A 111 6.613 10.448 -14.423 1.00 0.00 C ATOM 1763 CG2 VAL A 111 5.273 10.449 -16.606 1.00 0.00 C ATOM 0 H VAL A 111 5.402 7.588 -13.145 1.00 0.00 H new ATOM 0 HA VAL A 111 4.416 8.176 -15.821 1.00 0.00 H new ATOM 0 HB VAL A 111 4.503 10.417 -14.607 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.691 11.532 -14.510 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.564 10.171 -13.370 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.487 9.984 -14.880 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.402 11.531 -16.637 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.066 9.973 -17.182 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.306 10.187 -17.034 1.00 0.00 H new ATOM 1773 N ASN A 112 7.065 8.035 -16.509 1.00 0.00 N ATOM 1774 CA ASN A 112 8.306 7.407 -16.953 1.00 0.00 C ATOM 1775 C ASN A 112 9.273 8.474 -17.480 1.00 0.00 C ATOM 1776 O ASN A 112 10.279 8.775 -16.850 1.00 0.00 O ATOM 1777 CB ASN A 112 8.056 6.305 -17.999 1.00 0.00 C ATOM 1778 CG ASN A 112 7.007 6.703 -19.057 1.00 0.00 C ATOM 1779 OD1 ASN A 112 5.827 6.852 -18.774 1.00 0.00 O ATOM 1780 ND2 ASN A 112 7.515 6.870 -20.287 1.00 0.00 N ATOM 0 H ASN A 112 6.723 8.775 -17.122 1.00 0.00 H new ATOM 0 HA ASN A 112 8.762 6.916 -16.093 1.00 0.00 H new ATOM 0 HB2 ASN A 112 8.995 6.067 -18.499 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.726 5.399 -17.492 1.00 0.00 H new ATOM 0 HD21 ASN A 112 6.905 7.139 -21.059 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.512 6.728 -20.451 1.00 0.00 H new ATOM 1787 N LEU A 113 8.915 9.020 -18.669 1.00 0.00 N ATOM 1788 CA LEU A 113 9.741 10.038 -19.316 1.00 0.00 C ATOM 1789 C LEU A 113 11.191 9.542 -19.471 1.00 0.00 C ATOM 1790 O LEU A 113 12.114 10.058 -18.854 1.00 0.00 O ATOM 1791 CB LEU A 113 9.682 11.338 -18.492 1.00 0.00 C ATOM 1792 CG LEU A 113 8.465 12.197 -18.848 1.00 0.00 C ATOM 1793 CD1 LEU A 113 7.978 12.994 -17.631 1.00 0.00 C ATOM 1794 CD2 LEU A 113 8.816 13.137 -20.010 1.00 0.00 C ATOM 0 H LEU A 113 8.071 8.769 -19.183 1.00 0.00 H new ATOM 0 HA LEU A 113 9.355 10.237 -20.316 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.652 11.092 -17.431 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.592 11.914 -18.660 1.00 0.00 H new ATOM 0 HG LEU A 113 7.652 11.540 -19.158 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.113 13.595 -17.912 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.698 12.306 -16.834 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.777 13.648 -17.281 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.948 13.746 -20.260 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.642 13.785 -19.717 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.108 12.548 -20.879 1.00 0.00 H new ATOM 1806 N ALA A 114 11.320 8.499 -20.319 1.00 0.00 N ATOM 1807 CA ALA A 114 12.641 7.919 -20.541 1.00 0.00 C ATOM 1808 C ALA A 114 12.736 7.341 -21.966 1.00 0.00 C ATOM 1809 O ALA A 114 12.020 6.384 -22.264 1.00 0.00 O ATOM 1810 CB ALA A 114 12.902 6.831 -19.488 1.00 0.00 C ATOM 1811 OXT ALA A 114 13.520 7.855 -22.762 1.00 0.00 O ATOM 0 H ALA A 114 10.556 8.064 -20.836 1.00 0.00 H new ATOM 0 HA ALA A 114 13.401 8.694 -20.442 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.888 6.396 -19.651 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.860 7.271 -18.492 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.143 6.053 -19.573 1.00 0.00 H new TER 1817 ALA A 114