USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 665 hydrogens (39 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 66 THR OG1 : rot 180:sc= -0.494 USER MOD Set 1.2: A 69 GLN : amide:sc= -2.42! X(o=-2.9!,f=-2.4) USER MOD Set 2.1: A 16 LYS NZ :NH3+ 136:sc= -1.43 (180deg=-1.46) USER MOD Set 2.2: A 47 ASN :FLIP amide:sc= -1.83 F(o=-16!,f=-3.3) USER MOD Set 3.1: A 26 THR OG1 : rot 26:sc= 0.779 USER MOD Set 3.2: A 29 SER OG : rot -150:sc= 1.49 USER MOD Single : A 1 ALA N :NH3+ 130:sc= 0.0382 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -150:sc= -0.187 (180deg=-1.09) USER MOD Single : A 3 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0852) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 83:sc= 0.314 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 53:sc= 1.22 USER MOD Single : A 46 MET CE :methyl -113:sc= -0.495 (180deg=-2.42!) USER MOD Single : A 55 ASN :FLIP amide:sc= -2.48 F(o=-4.6!,f=-2.5) USER MOD Single : A 60 LYS NZ :NH3+ -154:sc= -0.104 (180deg=-0.694) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.784 F(o=-1.4,f=-0.78) USER MOD Single : A 65 SER OG : rot 67:sc= 0.106 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.46 F(o=-5.7!,f=-1.5) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= -0.0401 (180deg=-0.379) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot 113:sc= 0.0763 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.964 -7.956 1.533 1.00 1.00 N ATOM 2 CA ALA A 1 -9.337 -7.775 0.193 1.00 1.00 C ATOM 3 C ALA A 1 -8.944 -9.138 -0.368 1.00 1.00 C ATOM 4 O ALA A 1 -8.551 -10.036 0.377 1.00 1.00 O ATOM 5 CB ALA A 1 -8.096 -6.885 0.329 1.00 1.00 C ATOM 0 H1 ALA A 1 -9.514 -7.314 2.216 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.980 -7.742 1.473 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.836 -8.939 1.846 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.045 -7.299 -0.486 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.635 -6.751 -0.650 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.387 -5.914 0.729 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.382 -7.357 1.004 1.00 1.00 H new ATOM 13 N LYS A 2 -9.049 -9.285 -1.684 1.00 1.00 N ATOM 14 CA LYS A 2 -8.697 -10.543 -2.331 1.00 1.00 C ATOM 15 C LYS A 2 -7.180 -10.662 -2.446 1.00 1.00 C ATOM 16 O LYS A 2 -6.479 -9.675 -2.670 1.00 1.00 O ATOM 17 CB LYS A 2 -9.324 -10.601 -3.735 1.00 1.00 C ATOM 18 CG LYS A 2 -9.368 -9.179 -4.340 1.00 1.00 C ATOM 19 CD LYS A 2 -10.696 -8.484 -3.969 1.00 1.00 C ATOM 20 CE LYS A 2 -11.767 -8.836 -5.003 1.00 1.00 C ATOM 21 NZ LYS A 2 -11.376 -8.263 -6.321 1.00 1.00 N ATOM 0 H LYS A 2 -9.372 -8.555 -2.319 1.00 1.00 H new ATOM 0 HA LYS A 2 -9.078 -11.369 -1.730 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.743 -11.263 -4.377 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.331 -11.015 -3.678 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.526 -8.593 -3.971 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.268 -9.234 -5.424 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -11.018 -8.799 -2.976 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.554 -7.404 -3.931 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -11.875 -9.918 -5.080 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -12.734 -8.441 -4.693 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -12.231 -8.035 -6.868 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -10.820 -7.397 -6.172 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -10.804 -8.956 -6.845 1.00 1.00 H new ATOM 35 N LYS A 3 -6.690 -11.879 -2.299 1.00 1.00 N ATOM 36 CA LYS A 3 -5.263 -12.146 -2.392 1.00 1.00 C ATOM 37 C LYS A 3 -4.691 -11.502 -3.649 1.00 1.00 C ATOM 38 O LYS A 3 -3.481 -11.307 -3.762 1.00 1.00 O ATOM 39 CB LYS A 3 -5.014 -13.669 -2.403 1.00 1.00 C ATOM 40 CG LYS A 3 -6.224 -14.409 -2.987 1.00 1.00 C ATOM 41 CD LYS A 3 -6.509 -13.903 -4.408 1.00 1.00 C ATOM 42 CE LYS A 3 -7.248 -14.982 -5.204 1.00 1.00 C ATOM 43 NZ LYS A 3 -6.265 -16.007 -5.651 1.00 1.00 N ATOM 0 H LYS A 3 -7.261 -12.704 -2.114 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.762 -11.716 -1.525 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -4.125 -13.893 -2.992 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -4.821 -14.019 -1.389 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.031 -15.482 -3.005 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -7.097 -14.253 -2.354 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -7.109 -12.994 -4.367 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -5.574 -13.646 -4.907 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -8.020 -15.443 -4.588 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -7.749 -14.539 -6.065 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -6.510 -16.329 -6.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -5.311 -15.593 -5.658 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -6.286 -16.816 -4.998 1.00 1.00 H new ATOM 57 N GLU A 4 -5.567 -11.169 -4.584 1.00 1.00 N ATOM 58 CA GLU A 4 -5.131 -10.541 -5.823 1.00 1.00 C ATOM 59 C GLU A 4 -4.732 -9.090 -5.580 1.00 1.00 C ATOM 60 O GLU A 4 -3.667 -8.652 -6.005 1.00 1.00 O ATOM 61 CB GLU A 4 -6.244 -10.600 -6.882 1.00 1.00 C ATOM 62 CG GLU A 4 -6.288 -11.991 -7.514 1.00 1.00 C ATOM 63 CD GLU A 4 -7.385 -12.054 -8.567 1.00 1.00 C ATOM 64 OE1 GLU A 4 -8.048 -11.049 -8.765 1.00 1.00 O ATOM 65 OE2 GLU A 4 -7.550 -13.108 -9.157 1.00 1.00 O ATOM 0 H GLU A 4 -6.573 -11.320 -4.511 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.264 -11.090 -6.189 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -7.206 -10.368 -6.424 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -6.067 -9.847 -7.650 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -5.324 -12.223 -7.968 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -6.468 -12.742 -6.745 1.00 1.00 H new ATOM 72 N THR A 5 -5.601 -8.356 -4.894 1.00 1.00 N ATOM 73 CA THR A 5 -5.346 -6.950 -4.600 1.00 1.00 C ATOM 74 C THR A 5 -4.084 -6.798 -3.763 1.00 1.00 C ATOM 75 O THR A 5 -3.272 -5.906 -4.004 1.00 1.00 O ATOM 76 CB THR A 5 -6.536 -6.346 -3.850 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.687 -6.389 -4.682 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.226 -4.895 -3.482 1.00 1.00 C ATOM 0 H THR A 5 -6.486 -8.710 -4.532 1.00 1.00 H new ATOM 0 HA THR A 5 -5.208 -6.422 -5.543 1.00 1.00 H new ATOM 0 HB THR A 5 -6.721 -6.917 -2.940 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.451 -6.004 -4.204 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.074 -4.466 -2.948 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.342 -4.862 -2.845 1.00 1.00 H new ATOM 0 HG23 THR A 5 -6.041 -4.321 -4.390 1.00 1.00 H new ATOM 86 N ILE A 6 -3.927 -7.673 -2.780 1.00 1.00 N ATOM 87 CA ILE A 6 -2.763 -7.625 -1.906 1.00 1.00 C ATOM 88 C ILE A 6 -1.485 -7.809 -2.718 1.00 1.00 C ATOM 89 O ILE A 6 -0.485 -7.131 -2.482 1.00 1.00 O ATOM 90 CB ILE A 6 -2.856 -8.727 -0.841 1.00 1.00 C ATOM 91 CG1 ILE A 6 -4.019 -8.419 0.108 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.542 -8.790 -0.040 1.00 1.00 C ATOM 93 CD1 ILE A 6 -4.282 -9.630 1.005 1.00 1.00 C ATOM 0 H ILE A 6 -4.587 -8.421 -2.568 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.739 -6.652 -1.416 1.00 1.00 H new ATOM 0 HB ILE A 6 -3.025 -9.687 -1.328 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.783 -7.546 0.717 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.914 -8.176 -0.464 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.613 -9.573 0.714 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.715 -9.010 -0.715 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.367 -7.831 0.448 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -5.109 -9.410 1.680 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.536 -10.492 0.388 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.388 -9.852 1.588 1.00 1.00 H new ATOM 105 N ASP A 7 -1.521 -8.733 -3.672 1.00 1.00 N ATOM 106 CA ASP A 7 -0.357 -8.997 -4.504 1.00 1.00 C ATOM 107 C ASP A 7 0.056 -7.743 -5.268 1.00 1.00 C ATOM 108 O ASP A 7 1.241 -7.429 -5.364 1.00 1.00 O ATOM 109 CB ASP A 7 -0.671 -10.116 -5.499 1.00 1.00 C ATOM 110 CG ASP A 7 0.587 -10.500 -6.270 1.00 1.00 C ATOM 111 OD1 ASP A 7 1.540 -9.742 -6.227 1.00 1.00 O ATOM 112 OD2 ASP A 7 0.579 -11.553 -6.889 1.00 1.00 O ATOM 0 H ASP A 7 -2.337 -9.306 -3.886 1.00 1.00 H new ATOM 0 HA ASP A 7 0.465 -9.301 -3.856 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.062 -10.985 -4.969 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -1.446 -9.790 -6.192 1.00 1.00 H new ATOM 117 N LYS A 8 -0.925 -7.032 -5.811 1.00 1.00 N ATOM 118 CA LYS A 8 -0.634 -5.822 -6.565 1.00 1.00 C ATOM 119 C LYS A 8 0.029 -4.775 -5.685 1.00 1.00 C ATOM 120 O LYS A 8 1.050 -4.194 -6.057 1.00 1.00 O ATOM 121 CB LYS A 8 -1.925 -5.250 -7.139 1.00 1.00 C ATOM 122 CG LYS A 8 -2.690 -6.350 -7.919 1.00 1.00 C ATOM 123 CD LYS A 8 -3.312 -5.766 -9.191 1.00 1.00 C ATOM 124 CE LYS A 8 -4.276 -4.639 -8.819 1.00 1.00 C ATOM 125 NZ LYS A 8 -5.235 -4.424 -9.935 1.00 1.00 N ATOM 0 H LYS A 8 -1.915 -7.269 -5.744 1.00 1.00 H new ATOM 0 HA LYS A 8 0.050 -6.083 -7.372 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.550 -4.861 -6.335 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.700 -4.413 -7.800 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.010 -7.161 -8.178 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.469 -6.777 -7.288 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -2.530 -5.387 -9.849 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -3.841 -6.545 -9.740 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -4.814 -4.892 -7.906 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -3.722 -3.722 -8.619 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.892 -3.658 -9.685 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.713 -4.165 -10.796 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -5.771 -5.299 -10.105 1.00 1.00 H new ATOM 139 N VAL A 9 -0.551 -4.537 -4.514 1.00 1.00 N ATOM 140 CA VAL A 9 0.004 -3.560 -3.595 1.00 1.00 C ATOM 141 C VAL A 9 1.371 -4.020 -3.097 1.00 1.00 C ATOM 142 O VAL A 9 2.324 -3.251 -3.082 1.00 1.00 O ATOM 143 CB VAL A 9 -0.940 -3.371 -2.403 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.359 -2.338 -1.431 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.301 -2.882 -2.898 1.00 1.00 C ATOM 0 H VAL A 9 -1.396 -5.003 -4.184 1.00 1.00 H new ATOM 0 HA VAL A 9 0.118 -2.612 -4.120 1.00 1.00 H new ATOM 0 HB VAL A 9 -1.055 -4.326 -1.890 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.037 -2.211 -0.587 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.610 -2.683 -1.069 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.236 -1.384 -1.944 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.971 -2.748 -2.048 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.179 -1.931 -3.417 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.725 -3.617 -3.582 1.00 1.00 H new ATOM 155 N SER A 10 1.460 -5.283 -2.692 1.00 1.00 N ATOM 156 CA SER A 10 2.714 -5.827 -2.188 1.00 1.00 C ATOM 157 C SER A 10 3.807 -5.721 -3.244 1.00 1.00 C ATOM 158 O SER A 10 4.954 -5.395 -2.933 1.00 1.00 O ATOM 159 CB SER A 10 2.525 -7.290 -1.790 1.00 1.00 C ATOM 160 OG SER A 10 1.470 -7.386 -0.843 1.00 1.00 O ATOM 0 H SER A 10 0.684 -5.944 -2.703 1.00 1.00 H new ATOM 0 HA SER A 10 3.014 -5.249 -1.314 1.00 1.00 H new ATOM 0 HB2 SER A 10 2.296 -7.891 -2.670 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.448 -7.686 -1.365 1.00 1.00 H new ATOM 0 HG SER A 10 0.610 -7.402 -1.312 1.00 1.00 H new ATOM 166 N ASP A 11 3.447 -6.002 -4.489 1.00 1.00 N ATOM 167 CA ASP A 11 4.409 -5.937 -5.580 1.00 1.00 C ATOM 168 C ASP A 11 4.954 -4.524 -5.731 1.00 1.00 C ATOM 169 O ASP A 11 6.145 -4.326 -5.919 1.00 1.00 O ATOM 170 CB ASP A 11 3.744 -6.366 -6.882 1.00 1.00 C ATOM 171 CG ASP A 11 4.802 -6.652 -7.949 1.00 1.00 C ATOM 172 OD1 ASP A 11 5.926 -6.951 -7.578 1.00 1.00 O ATOM 173 OD2 ASP A 11 4.471 -6.569 -9.120 1.00 1.00 O ATOM 0 H ASP A 11 2.504 -6.275 -4.767 1.00 1.00 H new ATOM 0 HA ASP A 11 5.235 -6.610 -5.351 1.00 1.00 H new ATOM 0 HB2 ASP A 11 3.138 -7.256 -6.713 1.00 1.00 H new ATOM 0 HB3 ASP A 11 3.070 -5.583 -7.229 1.00 1.00 H new ATOM 178 N ILE A 12 4.072 -3.541 -5.660 1.00 1.00 N ATOM 179 CA ILE A 12 4.488 -2.153 -5.788 1.00 1.00 C ATOM 180 C ILE A 12 5.307 -1.723 -4.573 1.00 1.00 C ATOM 181 O ILE A 12 6.310 -1.022 -4.700 1.00 1.00 O ATOM 182 CB ILE A 12 3.257 -1.261 -5.912 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.523 -1.596 -7.220 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.694 0.211 -5.935 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.080 -1.103 -7.134 1.00 1.00 C ATOM 0 H ILE A 12 3.071 -3.675 -5.516 1.00 1.00 H new ATOM 0 HA ILE A 12 5.107 -2.055 -6.680 1.00 1.00 H new ATOM 0 HB ILE A 12 2.593 -1.429 -5.064 1.00 1.00 H new ATOM 0 HG12 ILE A 12 3.029 -1.127 -8.064 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.541 -2.672 -7.395 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.815 0.850 -6.024 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.223 0.448 -5.012 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.354 0.381 -6.786 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.559 -1.340 -8.061 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.577 -1.592 -6.300 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.073 -0.024 -6.979 1.00 1.00 H new ATOM 197 N VAL A 13 4.850 -2.123 -3.391 1.00 1.00 N ATOM 198 CA VAL A 13 5.535 -1.747 -2.153 1.00 1.00 C ATOM 199 C VAL A 13 6.929 -2.360 -2.070 1.00 1.00 C ATOM 200 O VAL A 13 7.909 -1.665 -1.798 1.00 1.00 O ATOM 201 CB VAL A 13 4.714 -2.205 -0.945 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.479 -1.897 0.348 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.369 -1.472 -0.932 1.00 1.00 C ATOM 0 H VAL A 13 4.019 -2.700 -3.261 1.00 1.00 H new ATOM 0 HA VAL A 13 5.637 -0.662 -2.151 1.00 1.00 H new ATOM 0 HB VAL A 13 4.542 -3.279 -1.014 1.00 1.00 H new ATOM 0 HG11 VAL A 13 4.891 -2.225 1.205 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.434 -2.423 0.340 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.657 -0.824 0.419 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.785 -1.799 -0.072 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.541 -0.398 -0.867 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.823 -1.698 -1.848 1.00 1.00 H new ATOM 213 N LYS A 14 7.010 -3.661 -2.298 1.00 1.00 N ATOM 214 CA LYS A 14 8.287 -4.358 -2.238 1.00 1.00 C ATOM 215 C LYS A 14 9.226 -3.864 -3.337 1.00 1.00 C ATOM 216 O LYS A 14 10.434 -3.745 -3.133 1.00 1.00 O ATOM 217 CB LYS A 14 8.051 -5.869 -2.378 1.00 1.00 C ATOM 218 CG LYS A 14 7.832 -6.237 -3.848 1.00 1.00 C ATOM 219 CD LYS A 14 7.206 -7.623 -3.949 1.00 1.00 C ATOM 220 CE LYS A 14 8.095 -8.636 -3.233 1.00 1.00 C ATOM 221 NZ LYS A 14 7.710 -10.009 -3.650 1.00 1.00 N ATOM 0 H LYS A 14 6.212 -4.254 -2.525 1.00 1.00 H new ATOM 0 HA LYS A 14 8.757 -4.153 -1.276 1.00 1.00 H new ATOM 0 HB2 LYS A 14 8.907 -6.416 -1.982 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.183 -6.165 -1.788 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.184 -5.501 -4.323 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.782 -6.218 -4.382 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.211 -7.618 -3.504 1.00 1.00 H new ATOM 0 HD3 LYS A 14 7.086 -7.904 -4.995 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.142 -8.451 -3.472 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.991 -8.529 -2.153 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.314 -10.702 -3.164 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.715 -10.182 -3.400 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.831 -10.106 -4.678 1.00 1.00 H new ATOM 235 N GLU A 15 8.654 -3.582 -4.501 1.00 1.00 N ATOM 236 CA GLU A 15 9.439 -3.106 -5.629 1.00 1.00 C ATOM 237 C GLU A 15 9.940 -1.689 -5.384 1.00 1.00 C ATOM 238 O GLU A 15 11.045 -1.326 -5.786 1.00 1.00 O ATOM 239 CB GLU A 15 8.599 -3.142 -6.908 1.00 1.00 C ATOM 240 CG GLU A 15 8.456 -4.596 -7.388 1.00 1.00 C ATOM 241 CD GLU A 15 9.781 -5.088 -7.964 1.00 1.00 C ATOM 242 OE1 GLU A 15 10.585 -4.254 -8.345 1.00 1.00 O ATOM 243 OE2 GLU A 15 9.971 -6.292 -8.014 1.00 1.00 O ATOM 0 H GLU A 15 7.655 -3.674 -4.687 1.00 1.00 H new ATOM 0 HA GLU A 15 10.301 -3.764 -5.743 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.615 -2.711 -6.722 1.00 1.00 H new ATOM 0 HB3 GLU A 15 9.071 -2.537 -7.682 1.00 1.00 H new ATOM 0 HG2 GLU A 15 8.152 -5.233 -6.558 1.00 1.00 H new ATOM 0 HG3 GLU A 15 7.674 -4.663 -8.144 1.00 1.00 H new ATOM 250 N LYS A 16 9.113 -0.893 -4.732 1.00 1.00 N ATOM 251 CA LYS A 16 9.469 0.485 -4.435 1.00 1.00 C ATOM 252 C LYS A 16 10.535 0.562 -3.350 1.00 1.00 C ATOM 253 O LYS A 16 11.386 1.451 -3.365 1.00 1.00 O ATOM 254 CB LYS A 16 8.230 1.250 -3.984 1.00 1.00 C ATOM 255 CG LYS A 16 7.301 1.491 -5.194 1.00 1.00 C ATOM 256 CD LYS A 16 7.670 2.810 -5.899 1.00 1.00 C ATOM 257 CE LYS A 16 7.012 3.989 -5.175 1.00 1.00 C ATOM 258 NZ LYS A 16 7.294 5.244 -5.918 1.00 1.00 N ATOM 0 H LYS A 16 8.191 -1.175 -4.398 1.00 1.00 H new ATOM 0 HA LYS A 16 9.873 0.932 -5.343 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.703 0.687 -3.214 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.520 2.202 -3.540 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.384 0.661 -5.895 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.263 1.526 -4.863 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.753 2.937 -5.909 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.342 2.781 -6.938 1.00 1.00 H new ATOM 0 HE2 LYS A 16 5.936 3.831 -5.102 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.393 4.063 -4.156 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 6.425 5.812 -5.982 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 8.027 5.786 -5.418 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 7.627 5.013 -6.876 1.00 1.00 H new ATOM 272 N LEU A 17 10.464 -0.358 -2.398 1.00 1.00 N ATOM 273 CA LEU A 17 11.413 -0.378 -1.287 1.00 1.00 C ATOM 274 C LEU A 17 12.594 -1.288 -1.593 1.00 1.00 C ATOM 275 O LEU A 17 13.559 -1.341 -0.831 1.00 1.00 O ATOM 276 CB LEU A 17 10.705 -0.861 -0.019 1.00 1.00 C ATOM 277 CG LEU A 17 9.537 0.082 0.314 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.798 -0.443 1.549 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.062 1.508 0.590 1.00 1.00 C ATOM 0 H LEU A 17 9.763 -1.099 -2.370 1.00 1.00 H new ATOM 0 HA LEU A 17 11.791 0.633 -1.138 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.336 -1.877 -0.162 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.409 -0.892 0.813 1.00 1.00 H new ATOM 0 HG LEU A 17 8.855 0.118 -0.535 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.969 0.223 1.788 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.413 -1.442 1.345 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.485 -0.484 2.394 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.224 2.165 0.824 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.752 1.485 1.433 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.581 1.882 -0.293 1.00 1.00 H new ATOM 291 N ALA A 18 12.522 -1.992 -2.712 1.00 1.00 N ATOM 292 CA ALA A 18 13.601 -2.889 -3.102 1.00 1.00 C ATOM 293 C ALA A 18 13.304 -3.522 -4.452 1.00 1.00 C ATOM 294 O ALA A 18 12.375 -3.121 -5.138 1.00 1.00 O ATOM 295 CB ALA A 18 13.770 -3.983 -2.049 1.00 1.00 C ATOM 0 H ALA A 18 11.736 -1.961 -3.361 1.00 1.00 H new ATOM 0 HA ALA A 18 14.523 -2.312 -3.179 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.578 -4.651 -2.345 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.009 -3.529 -1.087 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.843 -4.550 -1.962 1.00 1.00 H new ATOM 301 N LEU A 19 14.102 -4.514 -4.828 1.00 1.00 N ATOM 302 CA LEU A 19 13.907 -5.200 -6.104 1.00 1.00 C ATOM 303 C LEU A 19 12.890 -6.325 -5.956 1.00 1.00 C ATOM 304 O LEU A 19 12.315 -6.788 -6.941 1.00 1.00 O ATOM 305 CB LEU A 19 15.236 -5.774 -6.591 1.00 1.00 C ATOM 306 CG LEU A 19 16.284 -4.656 -6.657 1.00 1.00 C ATOM 307 CD1 LEU A 19 17.624 -5.242 -7.112 1.00 1.00 C ATOM 308 CD2 LEU A 19 15.827 -3.564 -7.643 1.00 1.00 C ATOM 0 H LEU A 19 14.885 -4.861 -4.274 1.00 1.00 H new ATOM 0 HA LEU A 19 13.532 -4.480 -6.831 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.572 -6.562 -5.918 1.00 1.00 H new ATOM 0 HB3 LEU A 19 15.110 -6.227 -7.574 1.00 1.00 H new ATOM 0 HG LEU A 19 16.400 -4.211 -5.669 1.00 1.00 H new ATOM 0 HD11 LEU A 19 18.370 -4.449 -7.160 1.00 1.00 H new ATOM 0 HD12 LEU A 19 17.948 -6.003 -6.402 1.00 1.00 H new ATOM 0 HD13 LEU A 19 17.508 -5.691 -8.098 1.00 1.00 H new ATOM 0 HD21 LEU A 19 16.577 -2.774 -7.684 1.00 1.00 H new ATOM 0 HD22 LEU A 19 15.703 -3.998 -8.635 1.00 1.00 H new ATOM 0 HD23 LEU A 19 14.877 -3.146 -7.309 1.00 1.00 H new ATOM 320 N GLY A 20 12.673 -6.760 -4.720 1.00 1.00 N ATOM 321 CA GLY A 20 11.722 -7.834 -4.450 1.00 1.00 C ATOM 322 C GLY A 20 12.389 -9.196 -4.601 1.00 1.00 C ATOM 323 O GLY A 20 11.842 -10.216 -4.182 1.00 1.00 O ATOM 0 H GLY A 20 13.139 -6.388 -3.892 1.00 1.00 H new ATOM 0 HA2 GLY A 20 11.324 -7.729 -3.441 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.878 -7.759 -5.135 1.00 1.00 H new ATOM 327 N ALA A 21 13.575 -9.205 -5.204 1.00 1.00 N ATOM 328 CA ALA A 21 14.305 -10.450 -5.407 1.00 1.00 C ATOM 329 C ALA A 21 14.734 -11.047 -4.072 1.00 1.00 C ATOM 330 O ALA A 21 14.530 -12.234 -3.819 1.00 1.00 O ATOM 331 CB ALA A 21 15.542 -10.196 -6.269 1.00 1.00 C ATOM 0 H ALA A 21 14.046 -8.372 -5.557 1.00 1.00 H new ATOM 0 HA ALA A 21 13.644 -11.154 -5.913 1.00 1.00 H new ATOM 0 HB1 ALA A 21 16.082 -11.132 -6.416 1.00 1.00 H new ATOM 0 HB2 ALA A 21 15.236 -9.798 -7.237 1.00 1.00 H new ATOM 0 HB3 ALA A 21 16.192 -9.477 -5.770 1.00 1.00 H new ATOM 337 N ASP A 22 15.333 -10.216 -3.220 1.00 1.00 N ATOM 338 CA ASP A 22 15.795 -10.666 -1.905 1.00 1.00 C ATOM 339 C ASP A 22 14.891 -10.124 -0.804 1.00 1.00 C ATOM 340 O ASP A 22 15.217 -10.218 0.379 1.00 1.00 O ATOM 341 CB ASP A 22 17.226 -10.189 -1.666 1.00 1.00 C ATOM 342 CG ASP A 22 17.808 -10.893 -0.445 1.00 1.00 C ATOM 343 OD1 ASP A 22 17.080 -11.645 0.184 1.00 1.00 O ATOM 344 OD2 ASP A 22 18.974 -10.679 -0.162 1.00 1.00 O ATOM 0 H ASP A 22 15.510 -9.230 -3.415 1.00 1.00 H new ATOM 0 HA ASP A 22 15.763 -11.755 -1.884 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.839 -10.396 -2.543 1.00 1.00 H new ATOM 0 HB3 ASP A 22 17.239 -9.110 -1.515 1.00 1.00 H new ATOM 349 N VAL A 23 13.754 -9.554 -1.196 1.00 1.00 N ATOM 350 CA VAL A 23 12.803 -8.995 -0.232 1.00 1.00 C ATOM 351 C VAL A 23 11.428 -9.612 -0.431 1.00 1.00 C ATOM 352 O VAL A 23 10.943 -9.715 -1.557 1.00 1.00 O ATOM 353 CB VAL A 23 12.712 -7.480 -0.410 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.730 -6.910 0.613 1.00 1.00 C ATOM 355 CG2 VAL A 23 14.093 -6.860 -0.197 1.00 1.00 C ATOM 0 H VAL A 23 13.467 -9.466 -2.171 1.00 1.00 H new ATOM 0 HA VAL A 23 13.153 -9.222 0.775 1.00 1.00 H new ATOM 0 HB VAL A 23 12.363 -7.248 -1.416 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.662 -5.829 0.489 1.00 1.00 H new ATOM 0 HG12 VAL A 23 10.747 -7.355 0.461 1.00 1.00 H new ATOM 0 HG13 VAL A 23 12.080 -7.139 1.620 1.00 1.00 H new ATOM 0 HG21 VAL A 23 14.030 -5.779 -0.324 1.00 1.00 H new ATOM 0 HG22 VAL A 23 14.443 -7.088 0.810 1.00 1.00 H new ATOM 0 HG23 VAL A 23 14.792 -7.270 -0.925 1.00 1.00 H new ATOM 365 N VAL A 24 10.804 -10.023 0.671 1.00 1.00 N ATOM 366 CA VAL A 24 9.476 -10.637 0.619 1.00 1.00 C ATOM 367 C VAL A 24 8.498 -9.832 1.464 1.00 1.00 C ATOM 368 O VAL A 24 8.782 -9.503 2.616 1.00 1.00 O ATOM 369 CB VAL A 24 9.545 -12.075 1.145 1.00 1.00 C ATOM 370 CG1 VAL A 24 8.126 -12.632 1.313 1.00 1.00 C ATOM 371 CG2 VAL A 24 10.319 -12.940 0.150 1.00 1.00 C ATOM 0 H VAL A 24 11.195 -9.943 1.610 1.00 1.00 H new ATOM 0 HA VAL A 24 9.133 -10.648 -0.415 1.00 1.00 H new ATOM 0 HB VAL A 24 10.051 -12.085 2.110 1.00 1.00 H new ATOM 0 HG11 VAL A 24 8.178 -13.654 1.687 1.00 1.00 H new ATOM 0 HG12 VAL A 24 7.574 -12.014 2.021 1.00 1.00 H new ATOM 0 HG13 VAL A 24 7.615 -12.624 0.350 1.00 1.00 H new ATOM 0 HG21 VAL A 24 10.370 -13.964 0.521 1.00 1.00 H new ATOM 0 HG22 VAL A 24 9.811 -12.928 -0.814 1.00 1.00 H new ATOM 0 HG23 VAL A 24 11.328 -12.546 0.033 1.00 1.00 H new ATOM 381 N VAL A 25 7.344 -9.520 0.880 1.00 1.00 N ATOM 382 CA VAL A 25 6.309 -8.752 1.575 1.00 1.00 C ATOM 383 C VAL A 25 5.051 -9.596 1.738 1.00 1.00 C ATOM 384 O VAL A 25 4.600 -10.245 0.793 1.00 1.00 O ATOM 385 CB VAL A 25 5.979 -7.483 0.786 1.00 1.00 C ATOM 386 CG1 VAL A 25 4.758 -6.797 1.407 1.00 1.00 C ATOM 387 CG2 VAL A 25 7.179 -6.535 0.825 1.00 1.00 C ATOM 0 H VAL A 25 7.100 -9.787 -0.074 1.00 1.00 H new ATOM 0 HA VAL A 25 6.682 -8.474 2.561 1.00 1.00 H new ATOM 0 HB VAL A 25 5.757 -7.743 -0.249 1.00 1.00 H new ATOM 0 HG11 VAL A 25 4.523 -5.893 0.845 1.00 1.00 H new ATOM 0 HG12 VAL A 25 3.905 -7.475 1.377 1.00 1.00 H new ATOM 0 HG13 VAL A 25 4.976 -6.534 2.442 1.00 1.00 H new ATOM 0 HG21 VAL A 25 6.946 -5.630 0.264 1.00 1.00 H new ATOM 0 HG22 VAL A 25 7.402 -6.273 1.859 1.00 1.00 H new ATOM 0 HG23 VAL A 25 8.045 -7.025 0.380 1.00 1.00 H new ATOM 397 N THR A 26 4.493 -9.584 2.946 1.00 1.00 N ATOM 398 CA THR A 26 3.283 -10.353 3.249 1.00 1.00 C ATOM 399 C THR A 26 2.252 -9.471 3.945 1.00 1.00 C ATOM 400 O THR A 26 2.563 -8.370 4.400 1.00 1.00 O ATOM 401 CB THR A 26 3.635 -11.548 4.149 1.00 1.00 C ATOM 402 OG1 THR A 26 4.631 -11.157 5.083 1.00 1.00 O ATOM 403 CG2 THR A 26 4.156 -12.701 3.294 1.00 1.00 C ATOM 0 H THR A 26 4.858 -9.050 3.734 1.00 1.00 H new ATOM 0 HA THR A 26 2.859 -10.718 2.313 1.00 1.00 H new ATOM 0 HB THR A 26 2.743 -11.875 4.684 1.00 1.00 H new ATOM 0 HG1 THR A 26 4.573 -10.191 5.238 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.405 -13.546 3.936 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.389 -13.000 2.580 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.047 -12.380 2.755 1.00 1.00 H new ATOM 411 N ALA A 27 1.022 -9.965 4.013 1.00 1.00 N ATOM 412 CA ALA A 27 -0.055 -9.226 4.646 1.00 1.00 C ATOM 413 C ALA A 27 0.286 -8.924 6.097 1.00 1.00 C ATOM 414 O ALA A 27 -0.215 -7.962 6.677 1.00 1.00 O ATOM 415 CB ALA A 27 -1.343 -10.040 4.576 1.00 1.00 C ATOM 0 H ALA A 27 0.749 -10.873 3.637 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.191 -8.282 4.118 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.151 -9.484 5.052 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.598 -10.229 3.533 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -1.202 -10.989 5.093 1.00 1.00 H new ATOM 421 N ASP A 28 1.138 -9.756 6.681 1.00 1.00 N ATOM 422 CA ASP A 28 1.541 -9.573 8.074 1.00 1.00 C ATOM 423 C ASP A 28 2.757 -8.652 8.170 1.00 1.00 C ATOM 424 O ASP A 28 3.162 -8.256 9.263 1.00 1.00 O ATOM 425 CB ASP A 28 1.885 -10.928 8.693 1.00 1.00 C ATOM 426 CG ASP A 28 1.911 -10.818 10.217 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.989 -9.705 10.711 1.00 1.00 O ATOM 428 OD2 ASP A 28 1.848 -11.849 10.867 1.00 1.00 O ATOM 0 H ASP A 28 1.562 -10.560 6.218 1.00 1.00 H new ATOM 0 HA ASP A 28 0.711 -9.118 8.615 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.151 -11.673 8.387 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.855 -11.267 8.329 1.00 1.00 H new ATOM 433 N SER A 29 3.339 -8.319 7.022 1.00 1.00 N ATOM 434 CA SER A 29 4.507 -7.451 7.001 1.00 1.00 C ATOM 435 C SER A 29 4.098 -5.998 7.219 1.00 1.00 C ATOM 436 O SER A 29 3.145 -5.513 6.610 1.00 1.00 O ATOM 437 CB SER A 29 5.221 -7.583 5.658 1.00 1.00 C ATOM 438 OG SER A 29 5.558 -8.946 5.436 1.00 1.00 O ATOM 0 H SER A 29 3.024 -8.634 6.104 1.00 1.00 H new ATOM 0 HA SER A 29 5.179 -7.751 7.805 1.00 1.00 H new ATOM 0 HB2 SER A 29 4.580 -7.220 4.855 1.00 1.00 H new ATOM 0 HB3 SER A 29 6.121 -6.968 5.650 1.00 1.00 H new ATOM 0 HG SER A 29 6.371 -8.997 4.891 1.00 1.00 H new ATOM 444 N GLU A 30 4.833 -5.304 8.083 1.00 1.00 N ATOM 445 CA GLU A 30 4.548 -3.899 8.373 1.00 1.00 C ATOM 446 C GLU A 30 5.383 -3.002 7.473 1.00 1.00 C ATOM 447 O GLU A 30 6.541 -3.300 7.198 1.00 1.00 O ATOM 448 CB GLU A 30 4.864 -3.592 9.837 1.00 1.00 C ATOM 449 CG GLU A 30 3.861 -4.315 10.734 1.00 1.00 C ATOM 450 CD GLU A 30 4.237 -4.125 12.198 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.184 -3.400 12.456 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.572 -4.703 13.040 1.00 1.00 O ATOM 0 H GLU A 30 5.628 -5.688 8.594 1.00 1.00 H new ATOM 0 HA GLU A 30 3.491 -3.710 8.187 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.879 -3.911 10.076 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.818 -2.517 10.013 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.857 -3.929 10.555 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.843 -5.377 10.490 1.00 1.00 H new ATOM 459 N PHE A 31 4.788 -1.905 7.017 1.00 1.00 N ATOM 460 CA PHE A 31 5.487 -0.973 6.137 1.00 1.00 C ATOM 461 C PHE A 31 6.802 -0.528 6.766 1.00 1.00 C ATOM 462 O PHE A 31 7.821 -0.421 6.083 1.00 1.00 O ATOM 463 CB PHE A 31 4.606 0.249 5.867 1.00 1.00 C ATOM 464 CG PHE A 31 3.478 -0.134 4.935 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.721 -0.262 3.561 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.186 -0.353 5.439 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.679 -0.617 2.701 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.150 -0.706 4.574 1.00 1.00 C ATOM 469 CZ PHE A 31 1.395 -0.835 3.206 1.00 1.00 C ATOM 0 H PHE A 31 3.829 -1.639 7.240 1.00 1.00 H new ATOM 0 HA PHE A 31 5.702 -1.480 5.196 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.202 0.633 6.804 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.201 1.048 5.425 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.711 -0.087 3.168 1.00 1.00 H new ATOM 0 HD2 PHE A 31 1.994 -0.248 6.497 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.867 -0.723 1.643 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.158 -0.880 4.963 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.591 -1.104 2.537 1.00 1.00 H new ATOM 479 N SER A 32 6.774 -0.274 8.066 1.00 1.00 N ATOM 480 CA SER A 32 7.973 0.152 8.772 1.00 1.00 C ATOM 481 C SER A 32 9.070 -0.911 8.673 1.00 1.00 C ATOM 482 O SER A 32 10.241 -0.580 8.486 1.00 1.00 O ATOM 483 CB SER A 32 7.649 0.421 10.239 1.00 1.00 C ATOM 484 OG SER A 32 6.713 1.490 10.325 1.00 1.00 O ATOM 0 H SER A 32 5.941 -0.355 8.649 1.00 1.00 H new ATOM 0 HA SER A 32 8.334 1.069 8.307 1.00 1.00 H new ATOM 0 HB2 SER A 32 7.238 -0.476 10.703 1.00 1.00 H new ATOM 0 HB3 SER A 32 8.559 0.674 10.784 1.00 1.00 H new ATOM 0 HG SER A 32 6.501 1.664 11.266 1.00 1.00 H new ATOM 490 N LYS A 33 8.695 -2.188 8.812 1.00 1.00 N ATOM 491 CA LYS A 33 9.645 -3.259 8.750 1.00 1.00 C ATOM 492 C LYS A 33 10.369 -3.256 7.405 1.00 1.00 C ATOM 493 O LYS A 33 11.572 -3.509 7.338 1.00 1.00 O ATOM 494 CB LYS A 33 8.895 -4.589 8.929 1.00 1.00 C ATOM 495 CG LYS A 33 9.855 -5.627 9.477 1.00 1.00 C ATOM 496 CD LYS A 33 9.313 -7.042 9.240 1.00 1.00 C ATOM 497 CE LYS A 33 8.019 -7.229 10.028 1.00 1.00 C ATOM 498 NZ LYS A 33 7.648 -8.671 10.041 1.00 1.00 N ATOM 0 H LYS A 33 7.732 -2.486 8.968 1.00 1.00 H new ATOM 0 HA LYS A 33 10.386 -3.132 9.539 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.053 -4.458 9.609 1.00 1.00 H new ATOM 0 HB3 LYS A 33 8.485 -4.921 7.975 1.00 1.00 H new ATOM 0 HG2 LYS A 33 10.828 -5.519 8.998 1.00 1.00 H new ATOM 0 HG3 LYS A 33 10.006 -5.463 10.544 1.00 1.00 H new ATOM 0 HD2 LYS A 33 9.130 -7.200 8.177 1.00 1.00 H new ATOM 0 HD3 LYS A 33 10.051 -7.782 9.550 1.00 1.00 H new ATOM 0 HE2 LYS A 33 8.147 -6.866 11.048 1.00 1.00 H new ATOM 0 HE3 LYS A 33 7.219 -6.641 9.578 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 6.766 -8.798 10.578 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 7.510 -9.003 9.065 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 8.408 -9.221 10.489 1.00 1.00 H new ATOM 512 N LEU A 34 9.627 -2.982 6.339 1.00 1.00 N ATOM 513 CA LEU A 34 10.208 -2.966 5.002 1.00 1.00 C ATOM 514 C LEU A 34 11.200 -1.822 4.870 1.00 1.00 C ATOM 515 O LEU A 34 12.022 -1.804 3.955 1.00 1.00 O ATOM 516 CB LEU A 34 9.106 -2.816 3.951 1.00 1.00 C ATOM 517 CG LEU A 34 7.997 -3.836 4.218 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.936 -3.746 3.120 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.584 -5.254 4.257 1.00 1.00 C ATOM 0 H LEU A 34 8.630 -2.769 6.373 1.00 1.00 H new ATOM 0 HA LEU A 34 10.731 -3.909 4.841 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.698 -1.805 3.979 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.519 -2.966 2.953 1.00 1.00 H new ATOM 0 HG LEU A 34 7.538 -3.616 5.182 1.00 1.00 H new ATOM 0 HD11 LEU A 34 6.149 -4.474 3.314 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.508 -2.743 3.109 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.394 -3.956 2.153 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.787 -5.973 4.448 1.00 1.00 H new ATOM 0 HD22 LEU A 34 9.055 -5.479 3.300 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.328 -5.318 5.051 1.00 1.00 H new ATOM 531 N GLY A 35 11.126 -0.868 5.795 1.00 1.00 N ATOM 532 CA GLY A 35 12.030 0.282 5.781 1.00 1.00 C ATOM 533 C GLY A 35 11.328 1.526 5.254 1.00 1.00 C ATOM 534 O GLY A 35 11.946 2.578 5.101 1.00 1.00 O ATOM 0 H GLY A 35 10.453 -0.867 6.561 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.400 0.469 6.789 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.897 0.059 5.159 1.00 1.00 H new ATOM 538 N ALA A 36 10.034 1.400 4.977 1.00 1.00 N ATOM 539 CA ALA A 36 9.266 2.527 4.470 1.00 1.00 C ATOM 540 C ALA A 36 9.380 3.715 5.416 1.00 1.00 C ATOM 541 O ALA A 36 8.830 3.700 6.517 1.00 1.00 O ATOM 542 CB ALA A 36 7.796 2.131 4.327 1.00 1.00 C ATOM 0 H ALA A 36 9.502 0.538 5.094 1.00 1.00 H new ATOM 0 HA ALA A 36 9.665 2.809 3.496 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.226 2.979 3.947 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.710 1.295 3.632 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.402 1.836 5.300 1.00 1.00 H new ATOM 548 N ASP A 37 10.097 4.747 4.977 1.00 1.00 N ATOM 549 CA ASP A 37 10.282 5.950 5.787 1.00 1.00 C ATOM 550 C ASP A 37 9.161 6.950 5.524 1.00 1.00 C ATOM 551 O ASP A 37 8.217 6.660 4.788 1.00 1.00 O ATOM 552 CB ASP A 37 11.629 6.594 5.468 1.00 1.00 C ATOM 553 CG ASP A 37 12.760 5.736 6.024 1.00 1.00 C ATOM 554 OD1 ASP A 37 12.466 4.807 6.760 1.00 1.00 O ATOM 555 OD2 ASP A 37 13.903 6.020 5.708 1.00 1.00 O ATOM 0 H ASP A 37 10.558 4.775 4.068 1.00 1.00 H new ATOM 0 HA ASP A 37 10.259 5.664 6.838 1.00 1.00 H new ATOM 0 HB2 ASP A 37 11.742 6.706 4.390 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.675 7.594 5.898 1.00 1.00 H new ATOM 560 N SER A 38 9.271 8.126 6.131 1.00 1.00 N ATOM 561 CA SER A 38 8.259 9.159 5.956 1.00 1.00 C ATOM 562 C SER A 38 8.157 9.565 4.490 1.00 1.00 C ATOM 563 O SER A 38 7.065 9.621 3.926 1.00 1.00 O ATOM 564 CB SER A 38 8.619 10.380 6.801 1.00 1.00 C ATOM 0 H SER A 38 10.044 8.386 6.744 1.00 1.00 H new ATOM 0 HA SER A 38 7.296 8.762 6.278 1.00 1.00 H new ATOM 569 N LEU A 39 9.302 9.846 3.880 1.00 1.00 N ATOM 570 CA LEU A 39 9.332 10.246 2.479 1.00 1.00 C ATOM 571 C LEU A 39 8.857 9.109 1.585 1.00 1.00 C ATOM 572 O LEU A 39 8.108 9.326 0.634 1.00 1.00 O ATOM 573 CB LEU A 39 10.754 10.650 2.085 1.00 1.00 C ATOM 574 CG LEU A 39 11.153 11.928 2.840 1.00 1.00 C ATOM 575 CD1 LEU A 39 12.651 12.183 2.649 1.00 1.00 C ATOM 576 CD2 LEU A 39 10.345 13.143 2.329 1.00 1.00 C ATOM 0 H LEU A 39 10.216 9.805 4.330 1.00 1.00 H new ATOM 0 HA LEU A 39 8.662 11.096 2.348 1.00 1.00 H new ATOM 0 HB2 LEU A 39 11.450 9.845 2.319 1.00 1.00 H new ATOM 0 HB3 LEU A 39 10.811 10.818 1.009 1.00 1.00 H new ATOM 0 HG LEU A 39 10.934 11.793 3.899 1.00 1.00 H new ATOM 0 HD11 LEU A 39 12.937 13.089 3.183 1.00 1.00 H new ATOM 0 HD12 LEU A 39 13.217 11.337 3.040 1.00 1.00 H new ATOM 0 HD13 LEU A 39 12.867 12.305 1.588 1.00 1.00 H new ATOM 0 HD21 LEU A 39 10.644 14.036 2.878 1.00 1.00 H new ATOM 0 HD22 LEU A 39 10.539 13.288 1.266 1.00 1.00 H new ATOM 0 HD23 LEU A 39 9.281 12.963 2.482 1.00 1.00 H new ATOM 588 N ASP A 40 9.302 7.897 1.893 1.00 1.00 N ATOM 589 CA ASP A 40 8.923 6.735 1.107 1.00 1.00 C ATOM 590 C ASP A 40 7.422 6.503 1.189 1.00 1.00 C ATOM 591 O ASP A 40 6.777 6.251 0.177 1.00 1.00 O ATOM 592 CB ASP A 40 9.670 5.494 1.628 1.00 1.00 C ATOM 593 CG ASP A 40 11.098 5.454 1.085 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.365 6.127 0.102 1.00 1.00 O ATOM 595 OD2 ASP A 40 11.908 4.748 1.665 1.00 1.00 O ATOM 0 H ASP A 40 9.922 7.696 2.677 1.00 1.00 H new ATOM 0 HA ASP A 40 9.192 6.913 0.066 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.690 5.507 2.718 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.137 4.591 1.330 1.00 1.00 H new ATOM 600 N THR A 41 6.871 6.604 2.391 1.00 1.00 N ATOM 601 CA THR A 41 5.443 6.388 2.584 1.00 1.00 C ATOM 602 C THR A 41 4.640 7.131 1.525 1.00 1.00 C ATOM 603 O THR A 41 3.647 6.617 1.009 1.00 1.00 O ATOM 604 CB THR A 41 5.030 6.871 3.981 1.00 1.00 C ATOM 605 OG1 THR A 41 5.650 6.056 4.966 1.00 1.00 O ATOM 606 CG2 THR A 41 3.510 6.791 4.128 1.00 1.00 C ATOM 0 H THR A 41 7.386 6.832 3.241 1.00 1.00 H new ATOM 0 HA THR A 41 5.237 5.322 2.492 1.00 1.00 H new ATOM 0 HB THR A 41 5.347 7.905 4.114 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.615 6.021 4.801 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.222 7.135 5.121 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.038 7.422 3.375 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.185 5.759 3.993 1.00 1.00 H new ATOM 614 N VAL A 42 5.077 8.333 1.205 1.00 1.00 N ATOM 615 CA VAL A 42 4.395 9.141 0.203 1.00 1.00 C ATOM 616 C VAL A 42 4.497 8.482 -1.166 1.00 1.00 C ATOM 617 O VAL A 42 3.521 8.424 -1.912 1.00 1.00 O ATOM 618 CB VAL A 42 5.006 10.544 0.149 1.00 1.00 C ATOM 619 CG1 VAL A 42 4.385 11.332 -1.006 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.713 11.277 1.457 1.00 1.00 C ATOM 0 H VAL A 42 5.898 8.774 1.620 1.00 1.00 H new ATOM 0 HA VAL A 42 3.344 9.221 0.480 1.00 1.00 H new ATOM 0 HB VAL A 42 6.083 10.459 0.002 1.00 1.00 H new ATOM 0 HG11 VAL A 42 4.822 12.330 -1.042 1.00 1.00 H new ATOM 0 HG12 VAL A 42 4.582 10.816 -1.946 1.00 1.00 H new ATOM 0 HG13 VAL A 42 3.309 11.412 -0.854 1.00 1.00 H new ATOM 0 HG21 VAL A 42 5.148 12.276 1.420 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.635 11.355 1.597 1.00 1.00 H new ATOM 0 HG23 VAL A 42 5.147 10.723 2.289 1.00 1.00 H new ATOM 630 N GLU A 43 5.688 7.993 -1.492 1.00 1.00 N ATOM 631 CA GLU A 43 5.909 7.350 -2.774 1.00 1.00 C ATOM 632 C GLU A 43 5.019 6.120 -2.917 1.00 1.00 C ATOM 633 O GLU A 43 4.507 5.836 -3.999 1.00 1.00 O ATOM 634 CB GLU A 43 7.378 6.944 -2.896 1.00 1.00 C ATOM 635 CG GLU A 43 8.253 8.195 -2.998 1.00 1.00 C ATOM 636 CD GLU A 43 9.728 7.802 -3.019 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.007 6.616 -2.950 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.556 8.693 -3.107 1.00 1.00 O ATOM 0 H GLU A 43 6.509 8.031 -0.888 1.00 1.00 H new ATOM 0 HA GLU A 43 5.658 8.053 -3.568 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.674 6.351 -2.031 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.520 6.317 -3.776 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.003 8.750 -3.902 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.056 8.856 -2.154 1.00 1.00 H new ATOM 645 N ILE A 44 4.841 5.389 -1.822 1.00 1.00 N ATOM 646 CA ILE A 44 4.014 4.189 -1.844 1.00 1.00 C ATOM 647 C ILE A 44 2.574 4.540 -2.178 1.00 1.00 C ATOM 648 O ILE A 44 1.960 3.920 -3.045 1.00 1.00 O ATOM 649 CB ILE A 44 4.070 3.497 -0.478 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.527 3.216 -0.090 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.305 2.187 -0.530 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.244 2.428 -1.189 1.00 1.00 C ATOM 0 H ILE A 44 5.255 5.604 -0.915 1.00 1.00 H new ATOM 0 HA ILE A 44 4.398 3.516 -2.611 1.00 1.00 H new ATOM 0 HB ILE A 44 3.618 4.154 0.265 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.048 4.157 0.087 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.557 2.655 0.844 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.349 1.701 0.445 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.265 2.383 -0.791 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.751 1.535 -1.281 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.275 2.242 -0.889 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.735 1.477 -1.346 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.233 3.003 -2.115 1.00 1.00 H new ATOM 664 N VAL A 45 2.040 5.534 -1.487 1.00 1.00 N ATOM 665 CA VAL A 45 0.669 5.955 -1.718 1.00 1.00 C ATOM 666 C VAL A 45 0.537 6.609 -3.088 1.00 1.00 C ATOM 667 O VAL A 45 -0.424 6.370 -3.813 1.00 1.00 O ATOM 668 CB VAL A 45 0.231 6.940 -0.636 1.00 1.00 C ATOM 669 CG1 VAL A 45 -1.226 7.344 -0.871 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.372 6.280 0.735 1.00 1.00 C ATOM 0 H VAL A 45 2.532 6.061 -0.766 1.00 1.00 H new ATOM 0 HA VAL A 45 0.028 5.074 -1.682 1.00 1.00 H new ATOM 0 HB VAL A 45 0.859 7.830 -0.675 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -1.538 8.047 -0.098 1.00 1.00 H new ATOM 0 HG12 VAL A 45 -1.320 7.815 -1.849 1.00 1.00 H new ATOM 0 HG13 VAL A 45 -1.860 6.458 -0.833 1.00 1.00 H new ATOM 0 HG21 VAL A 45 0.060 6.980 1.510 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.256 5.390 0.777 1.00 1.00 H new ATOM 0 HG23 VAL A 45 1.412 5.998 0.898 1.00 1.00 H new ATOM 680 N MET A 46 1.506 7.451 -3.431 1.00 1.00 N ATOM 681 CA MET A 46 1.470 8.151 -4.708 1.00 1.00 C ATOM 682 C MET A 46 1.381 7.164 -5.866 1.00 1.00 C ATOM 683 O MET A 46 0.565 7.330 -6.771 1.00 1.00 O ATOM 684 CB MET A 46 2.738 8.996 -4.870 1.00 1.00 C ATOM 685 CG MET A 46 2.529 10.054 -5.961 1.00 1.00 C ATOM 686 SD MET A 46 1.654 11.473 -5.254 1.00 1.00 S ATOM 687 CE MET A 46 2.957 12.046 -4.125 1.00 1.00 C ATOM 0 H MET A 46 2.317 7.663 -2.850 1.00 1.00 H new ATOM 0 HA MET A 46 0.588 8.792 -4.720 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.985 9.480 -3.925 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.581 8.355 -5.130 1.00 1.00 H new ATOM 0 HG2 MET A 46 3.490 10.370 -6.367 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.956 9.633 -6.787 1.00 1.00 H new ATOM 0 HE1 MET A 46 2.633 11.906 -3.094 1.00 1.00 H new ATOM 0 HE2 MET A 46 3.868 11.473 -4.300 1.00 1.00 H new ATOM 0 HE3 MET A 46 3.153 13.103 -4.303 1.00 1.00 H new ATOM 697 N ASN A 47 2.226 6.141 -5.834 1.00 1.00 N ATOM 698 CA ASN A 47 2.227 5.138 -6.891 1.00 1.00 C ATOM 699 C ASN A 47 0.911 4.364 -6.900 1.00 1.00 C ATOM 700 O ASN A 47 0.343 4.104 -7.959 1.00 1.00 O ATOM 701 CB ASN A 47 3.399 4.169 -6.679 1.00 1.00 C ATOM 702 CG ASN A 47 4.697 4.803 -7.166 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.062 5.961 -6.689 1.00 1.00 O flip ATOM 704 ND2 ASN A 47 5.396 4.229 -7.999 1.00 1.00 N flip ATOM 0 H ASN A 47 2.912 5.985 -5.096 1.00 1.00 H new ATOM 0 HA ASN A 47 2.338 5.642 -7.851 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.484 3.914 -5.623 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.215 3.239 -7.218 1.00 1.00 H new ATOM 0 HD21 ASN A 47 5.108 3.324 -8.370 1.00 1.00 H new ATOM 0 HD22 ASN A 47 6.264 4.658 -8.319 1.00 1.00 H new ATOM 711 N LEU A 48 0.436 3.993 -5.717 1.00 1.00 N ATOM 712 CA LEU A 48 -0.805 3.242 -5.616 1.00 1.00 C ATOM 713 C LEU A 48 -1.976 4.072 -6.119 1.00 1.00 C ATOM 714 O LEU A 48 -2.824 3.583 -6.859 1.00 1.00 O ATOM 715 CB LEU A 48 -1.037 2.831 -4.153 1.00 1.00 C ATOM 716 CG LEU A 48 0.009 1.791 -3.727 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.083 1.745 -2.198 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.389 0.401 -4.241 1.00 1.00 C ATOM 0 H LEU A 48 0.886 4.198 -4.825 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.729 2.349 -6.236 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.975 3.707 -3.507 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.039 2.419 -4.037 1.00 1.00 H new ATOM 0 HG LEU A 48 0.976 2.071 -4.145 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.825 1.007 -1.892 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.368 2.726 -1.818 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.891 1.469 -1.795 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.360 -0.329 -3.933 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.358 0.124 -3.826 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.452 0.420 -5.329 1.00 1.00 H new ATOM 730 N GLU A 49 -2.009 5.332 -5.724 1.00 1.00 N ATOM 731 CA GLU A 49 -3.084 6.213 -6.150 1.00 1.00 C ATOM 732 C GLU A 49 -3.123 6.312 -7.667 1.00 1.00 C ATOM 733 O GLU A 49 -4.194 6.371 -8.272 1.00 1.00 O ATOM 734 CB GLU A 49 -2.897 7.604 -5.536 1.00 1.00 C ATOM 735 CG GLU A 49 -3.277 7.574 -4.052 1.00 1.00 C ATOM 736 CD GLU A 49 -3.034 8.941 -3.426 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.576 9.822 -4.135 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.315 9.088 -2.248 1.00 1.00 O ATOM 0 H GLU A 49 -1.314 5.765 -5.116 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.031 5.797 -5.806 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.861 7.925 -5.649 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.515 8.330 -6.064 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.325 7.295 -3.942 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.689 6.817 -3.533 1.00 1.00 H new ATOM 745 N GLU A 50 -1.950 6.325 -8.269 1.00 1.00 N ATOM 746 CA GLU A 50 -1.843 6.407 -9.722 1.00 1.00 C ATOM 747 C GLU A 50 -2.196 5.075 -10.371 1.00 1.00 C ATOM 748 O GLU A 50 -2.823 5.038 -11.431 1.00 1.00 O ATOM 749 CB GLU A 50 -0.425 6.814 -10.125 1.00 1.00 C ATOM 750 CG GLU A 50 -0.175 8.266 -9.719 1.00 1.00 C ATOM 751 CD GLU A 50 1.270 8.648 -10.019 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.979 7.823 -10.571 1.00 1.00 O ATOM 753 OE2 GLU A 50 1.647 9.762 -9.694 1.00 1.00 O ATOM 0 H GLU A 50 -1.056 6.280 -7.780 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.549 7.161 -10.069 1.00 1.00 H new ATOM 0 HB2 GLU A 50 0.303 6.161 -9.644 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.294 6.699 -11.201 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.854 8.926 -10.259 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -0.382 8.396 -8.657 1.00 1.00 H new ATOM 760 N GLU A 51 -1.778 3.981 -9.739 1.00 1.00 N ATOM 761 CA GLU A 51 -2.046 2.658 -10.279 1.00 1.00 C ATOM 762 C GLU A 51 -3.535 2.345 -10.242 1.00 1.00 C ATOM 763 O GLU A 51 -4.094 1.835 -11.213 1.00 1.00 O ATOM 764 CB GLU A 51 -1.284 1.605 -9.469 1.00 1.00 C ATOM 765 CG GLU A 51 -1.305 0.261 -10.207 1.00 1.00 C ATOM 766 CD GLU A 51 -2.687 -0.374 -10.098 1.00 1.00 C ATOM 767 OE1 GLU A 51 -3.331 -0.171 -9.082 1.00 1.00 O ATOM 768 OE2 GLU A 51 -3.083 -1.048 -11.035 1.00 1.00 O ATOM 0 H GLU A 51 -1.258 3.987 -8.862 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.713 2.639 -11.317 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.255 1.928 -9.314 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.736 1.495 -8.483 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -1.046 0.409 -11.255 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -0.555 -0.407 -9.784 1.00 1.00 H new ATOM 775 N PHE A 52 -4.173 2.648 -9.116 1.00 1.00 N ATOM 776 CA PHE A 52 -5.603 2.389 -8.962 1.00 1.00 C ATOM 777 C PHE A 52 -6.413 3.632 -9.309 1.00 1.00 C ATOM 778 O PHE A 52 -7.643 3.597 -9.331 1.00 1.00 O ATOM 779 CB PHE A 52 -5.897 1.962 -7.524 1.00 1.00 C ATOM 780 CG PHE A 52 -5.252 0.627 -7.245 1.00 1.00 C ATOM 781 CD1 PHE A 52 -5.874 -0.553 -7.662 1.00 1.00 C ATOM 782 CD2 PHE A 52 -4.029 0.570 -6.567 1.00 1.00 C ATOM 783 CE1 PHE A 52 -5.273 -1.789 -7.400 1.00 1.00 C ATOM 784 CE2 PHE A 52 -3.427 -0.661 -6.307 1.00 1.00 C ATOM 785 CZ PHE A 52 -4.048 -1.843 -6.723 1.00 1.00 C ATOM 0 H PHE A 52 -3.728 3.070 -8.301 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.889 1.588 -9.644 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.519 2.711 -6.828 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -6.974 1.896 -7.368 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.817 -0.511 -8.186 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.550 1.482 -6.244 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -5.754 -2.702 -7.720 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -2.482 -0.701 -5.785 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.583 -2.797 -6.522 1.00 1.00 H new ATOM 795 N GLY A 53 -5.716 4.726 -9.594 1.00 1.00 N ATOM 796 CA GLY A 53 -6.386 5.971 -9.954 1.00 1.00 C ATOM 797 C GLY A 53 -7.358 6.403 -8.865 1.00 1.00 C ATOM 798 O GLY A 53 -8.524 6.682 -9.138 1.00 1.00 O ATOM 0 H GLY A 53 -4.697 4.777 -9.583 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.645 6.753 -10.116 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.922 5.841 -10.894 1.00 1.00 H new ATOM 802 N ILE A 54 -6.872 6.452 -7.626 1.00 1.00 N ATOM 803 CA ILE A 54 -7.703 6.852 -6.486 1.00 1.00 C ATOM 804 C ILE A 54 -7.035 7.978 -5.709 1.00 1.00 C ATOM 805 O ILE A 54 -6.072 8.583 -6.179 1.00 1.00 O ATOM 806 CB ILE A 54 -7.929 5.654 -5.563 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.577 5.090 -5.124 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.718 4.575 -6.312 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.795 3.965 -4.113 1.00 1.00 C ATOM 0 H ILE A 54 -5.909 6.221 -7.383 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.663 7.206 -6.863 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.493 5.970 -4.685 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.030 4.714 -5.989 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.969 5.879 -4.680 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.880 3.720 -5.655 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.681 4.979 -6.625 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.156 4.256 -7.190 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.831 3.564 -3.801 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.324 4.355 -3.243 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.386 3.173 -4.572 1.00 1.00 H new ATOM 821 N ASN A 55 -7.554 8.255 -4.518 1.00 1.00 N ATOM 822 CA ASN A 55 -7.004 9.316 -3.678 1.00 1.00 C ATOM 823 C ASN A 55 -7.145 8.947 -2.208 1.00 1.00 C ATOM 824 O ASN A 55 -8.257 8.773 -1.710 1.00 1.00 O ATOM 825 CB ASN A 55 -7.743 10.628 -3.948 1.00 1.00 C ATOM 826 CG ASN A 55 -7.943 10.810 -5.448 1.00 1.00 C ATOM 827 OD1 ASN A 55 -8.759 10.018 -6.088 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -7.335 11.693 -6.053 1.00 1.00 N flip ATOM 0 H ASN A 55 -8.351 7.763 -4.113 1.00 1.00 H new ATOM 0 HA ASN A 55 -5.947 9.439 -3.916 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -8.708 10.623 -3.441 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.175 11.466 -3.544 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -6.698 12.310 -5.550 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -7.468 11.807 -7.058 1.00 1.00 H new ATOM 835 N VAL A 56 -6.012 8.833 -1.518 1.00 1.00 N ATOM 836 CA VAL A 56 -6.011 8.487 -0.094 1.00 1.00 C ATOM 837 C VAL A 56 -5.248 9.535 0.707 1.00 1.00 C ATOM 838 O VAL A 56 -4.112 9.879 0.379 1.00 1.00 O ATOM 839 CB VAL A 56 -5.360 7.120 0.107 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.319 6.792 1.599 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.181 6.055 -0.628 1.00 1.00 C ATOM 0 H VAL A 56 -5.085 8.974 -1.918 1.00 1.00 H new ATOM 0 HA VAL A 56 -7.043 8.455 0.256 1.00 1.00 H new ATOM 0 HB VAL A 56 -4.345 7.136 -0.289 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -4.855 5.817 1.744 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -4.739 7.552 2.123 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -6.334 6.773 1.995 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -5.719 5.078 -0.487 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -7.195 6.038 -0.229 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -6.213 6.291 -1.692 1.00 1.00 H new ATOM 851 N ASP A 57 -5.882 10.037 1.762 1.00 1.00 N ATOM 852 CA ASP A 57 -5.260 11.045 2.615 1.00 1.00 C ATOM 853 C ASP A 57 -4.350 10.384 3.643 1.00 1.00 C ATOM 854 O ASP A 57 -4.567 9.236 4.032 1.00 1.00 O ATOM 855 CB ASP A 57 -6.338 11.863 3.329 1.00 1.00 C ATOM 856 CG ASP A 57 -7.014 12.812 2.345 1.00 1.00 C ATOM 857 OD1 ASP A 57 -6.539 12.913 1.225 1.00 1.00 O ATOM 858 OD2 ASP A 57 -7.998 13.425 2.725 1.00 1.00 O ATOM 0 H ASP A 57 -6.823 9.764 2.046 1.00 1.00 H new ATOM 0 HA ASP A 57 -4.661 11.707 1.990 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -7.079 11.196 3.770 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -5.893 12.431 4.146 1.00 1.00 H new ATOM 863 N GLU A 58 -3.330 11.114 4.077 1.00 1.00 N ATOM 864 CA GLU A 58 -2.388 10.591 5.058 1.00 1.00 C ATOM 865 C GLU A 58 -3.100 10.304 6.378 1.00 1.00 C ATOM 866 O GLU A 58 -2.684 9.435 7.143 1.00 1.00 O ATOM 867 CB GLU A 58 -1.261 11.598 5.292 1.00 1.00 C ATOM 868 CG GLU A 58 -0.203 10.976 6.204 1.00 1.00 C ATOM 869 CD GLU A 58 0.951 11.952 6.405 1.00 1.00 C ATOM 870 OE1 GLU A 58 0.790 13.110 6.055 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.980 11.528 6.905 1.00 1.00 O ATOM 0 H GLU A 58 -3.135 12.066 3.767 1.00 1.00 H new ATOM 0 HA GLU A 58 -1.967 9.662 4.673 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.813 11.886 4.341 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -1.659 12.506 5.745 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -0.646 10.720 7.167 1.00 1.00 H new ATOM 0 HG3 GLU A 58 0.166 10.048 5.767 1.00 1.00 H new ATOM 878 N ASP A 59 -4.174 11.044 6.637 1.00 1.00 N ATOM 879 CA ASP A 59 -4.936 10.862 7.868 1.00 1.00 C ATOM 880 C ASP A 59 -5.525 9.456 7.930 1.00 1.00 C ATOM 881 O ASP A 59 -5.551 8.832 8.990 1.00 1.00 O ATOM 882 CB ASP A 59 -6.064 11.894 7.941 1.00 1.00 C ATOM 883 CG ASP A 59 -5.491 13.278 8.225 1.00 1.00 C ATOM 884 OD1 ASP A 59 -4.331 13.353 8.600 1.00 1.00 O ATOM 885 OD2 ASP A 59 -6.219 14.243 8.066 1.00 1.00 O ATOM 0 H ASP A 59 -4.534 11.769 6.017 1.00 1.00 H new ATOM 0 HA ASP A 59 -4.263 10.999 8.714 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -6.617 11.907 7.002 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -6.771 11.617 8.723 1.00 1.00 H new ATOM 890 N LYS A 60 -5.998 8.964 6.792 1.00 1.00 N ATOM 891 CA LYS A 60 -6.588 7.630 6.733 1.00 1.00 C ATOM 892 C LYS A 60 -5.498 6.567 6.716 1.00 1.00 C ATOM 893 O LYS A 60 -5.769 5.385 6.931 1.00 1.00 O ATOM 894 CB LYS A 60 -7.459 7.505 5.472 1.00 1.00 C ATOM 895 CG LYS A 60 -8.839 8.113 5.729 1.00 1.00 C ATOM 896 CD LYS A 60 -8.680 9.554 6.219 1.00 1.00 C ATOM 897 CE LYS A 60 -10.040 10.248 6.211 1.00 1.00 C ATOM 898 NZ LYS A 60 -10.494 10.425 4.804 1.00 1.00 N ATOM 0 H LYS A 60 -5.986 9.463 5.903 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.207 7.480 7.617 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -6.978 8.013 4.636 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -7.561 6.456 5.192 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.433 8.092 4.815 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.376 7.522 6.472 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -8.261 9.563 7.225 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.981 10.092 5.578 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -10.766 9.656 6.768 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -9.970 11.216 6.707 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -11.142 11.237 4.748 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -9.670 10.596 4.192 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -10.987 9.566 4.488 1.00 1.00 H new ATOM 912 N ALA A 61 -4.266 6.992 6.465 1.00 1.00 N ATOM 913 CA ALA A 61 -3.142 6.063 6.425 1.00 1.00 C ATOM 914 C ALA A 61 -2.555 5.870 7.820 1.00 1.00 C ATOM 915 O ALA A 61 -1.564 5.162 7.997 1.00 1.00 O ATOM 916 CB ALA A 61 -2.061 6.587 5.482 1.00 1.00 C ATOM 0 H ALA A 61 -4.020 7.966 6.287 1.00 1.00 H new ATOM 0 HA ALA A 61 -3.505 5.102 6.060 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -1.227 5.886 5.460 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -2.473 6.692 4.479 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -1.710 7.557 5.834 1.00 1.00 H new ATOM 922 N GLN A 62 -3.169 6.514 8.808 1.00 1.00 N ATOM 923 CA GLN A 62 -2.697 6.415 10.187 1.00 1.00 C ATOM 924 C GLN A 62 -2.923 5.013 10.742 1.00 1.00 C ATOM 925 O GLN A 62 -2.002 4.385 11.263 1.00 1.00 O ATOM 926 CB GLN A 62 -3.430 7.432 11.063 1.00 1.00 C ATOM 927 CG GLN A 62 -3.079 8.851 10.608 1.00 1.00 C ATOM 928 CD GLN A 62 -1.609 9.142 10.889 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.889 9.750 9.987 1.00 1.00 O flip ATOM 930 NE2 GLN A 62 -1.105 8.813 11.963 1.00 1.00 N flip ATOM 0 H GLN A 62 -3.989 7.107 8.682 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.627 6.625 10.195 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.507 7.274 10.997 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -3.151 7.295 12.108 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -3.282 8.961 9.543 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.707 9.574 11.128 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.670 8.338 12.667 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -0.123 9.016 12.149 1.00 1.00 H new ATOM 939 N ASP A 63 -4.154 4.530 10.627 1.00 1.00 N ATOM 940 CA ASP A 63 -4.495 3.203 11.123 1.00 1.00 C ATOM 941 C ASP A 63 -3.726 2.128 10.362 1.00 1.00 C ATOM 942 O ASP A 63 -3.443 1.057 10.898 1.00 1.00 O ATOM 943 CB ASP A 63 -5.996 2.959 10.974 1.00 1.00 C ATOM 944 CG ASP A 63 -6.423 3.184 9.529 1.00 1.00 C ATOM 945 OD1 ASP A 63 -5.596 3.630 8.753 1.00 1.00 O ATOM 946 OD2 ASP A 63 -7.573 2.914 9.223 1.00 1.00 O ATOM 0 H ASP A 63 -4.929 5.035 10.197 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.220 3.151 12.177 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.239 1.941 11.279 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.548 3.629 11.633 1.00 1.00 H new ATOM 951 N ILE A 64 -3.394 2.419 9.111 1.00 1.00 N ATOM 952 CA ILE A 64 -2.662 1.464 8.287 1.00 1.00 C ATOM 953 C ILE A 64 -1.336 1.110 8.938 1.00 1.00 C ATOM 954 O ILE A 64 -0.524 1.987 9.238 1.00 1.00 O ATOM 955 CB ILE A 64 -2.392 2.070 6.909 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.721 2.474 6.265 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.677 1.054 6.019 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.642 1.269 6.084 1.00 1.00 C ATOM 0 H ILE A 64 -3.617 3.300 8.647 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.266 0.562 8.185 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.757 2.948 7.021 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -4.215 3.222 6.885 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.532 2.938 5.297 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.490 1.496 5.040 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.729 0.772 6.477 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.302 0.168 5.904 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.576 1.591 5.624 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.157 0.533 5.443 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.851 0.822 7.056 1.00 1.00 H new ATOM 970 N SER A 65 -1.119 -0.185 9.149 1.00 1.00 N ATOM 971 CA SER A 65 0.117 -0.665 9.764 1.00 1.00 C ATOM 972 C SER A 65 0.669 -1.852 8.989 1.00 1.00 C ATOM 973 O SER A 65 1.842 -2.193 9.116 1.00 1.00 O ATOM 974 CB SER A 65 -0.146 -1.075 11.213 1.00 1.00 C ATOM 975 OG SER A 65 -0.589 0.058 11.948 1.00 1.00 O ATOM 0 H SER A 65 -1.781 -0.921 8.904 1.00 1.00 H new ATOM 0 HA SER A 65 0.850 0.141 9.744 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.898 -1.863 11.249 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.762 -1.480 11.659 1.00 1.00 H new ATOM 0 HG SER A 65 -1.469 0.337 11.620 1.00 1.00 H new ATOM 981 N THR A 66 -0.185 -2.479 8.179 1.00 1.00 N ATOM 982 CA THR A 66 0.226 -3.636 7.380 1.00 1.00 C ATOM 983 C THR A 66 -0.294 -3.505 5.955 1.00 1.00 C ATOM 984 O THR A 66 -1.146 -2.666 5.669 1.00 1.00 O ATOM 985 CB THR A 66 -0.314 -4.927 8.002 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.726 -4.961 7.871 1.00 1.00 O ATOM 987 CG2 THR A 66 0.063 -4.987 9.483 1.00 1.00 C ATOM 0 H THR A 66 -1.161 -2.208 8.058 1.00 1.00 H new ATOM 0 HA THR A 66 1.315 -3.673 7.362 1.00 1.00 H new ATOM 0 HB THR A 66 0.121 -5.783 7.486 1.00 1.00 H new ATOM 0 HG1 THR A 66 -2.072 -5.788 8.268 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.324 -5.908 9.920 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.148 -4.966 9.583 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.366 -4.130 10.003 1.00 1.00 H new ATOM 995 N ILE A 67 0.216 -4.348 5.070 1.00 1.00 N ATOM 996 CA ILE A 67 -0.204 -4.318 3.677 1.00 1.00 C ATOM 997 C ILE A 67 -1.689 -4.598 3.554 1.00 1.00 C ATOM 998 O ILE A 67 -2.392 -3.931 2.797 1.00 1.00 O ATOM 999 CB ILE A 67 0.592 -5.345 2.862 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.109 -5.086 3.002 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.165 -5.297 1.394 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.561 -4.006 2.000 1.00 1.00 C ATOM 0 H ILE A 67 0.916 -5.057 5.289 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.008 -3.320 3.284 1.00 1.00 H new ATOM 0 HB ILE A 67 0.381 -6.342 3.250 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.338 -4.767 4.019 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.660 -6.009 2.825 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.736 -6.030 0.825 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.898 -5.526 1.317 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.352 -4.301 0.993 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.632 -3.833 2.109 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.349 -4.340 0.984 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.022 -3.079 2.196 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.164 -5.584 4.289 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.575 -5.935 4.240 1.00 1.00 C ATOM 1016 C GLN A 68 -4.439 -4.718 4.569 1.00 1.00 C ATOM 1017 O GLN A 68 -5.431 -4.449 3.892 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.855 -7.082 5.246 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.299 -8.345 4.505 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.708 -8.141 3.960 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.873 -7.566 2.801 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.687 -8.498 4.615 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.603 -6.153 4.922 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.826 -6.269 3.233 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.957 -7.291 5.828 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.628 -6.776 5.951 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.609 -8.563 3.690 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.278 -9.202 5.178 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.558 -8.948 5.521 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.628 -8.344 4.251 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.053 -3.991 5.608 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.805 -2.817 6.012 1.00 1.00 C ATOM 1033 C GLN A 69 -4.885 -1.828 4.859 1.00 1.00 C ATOM 1034 O GLN A 69 -5.932 -1.224 4.617 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.145 -2.157 7.227 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.290 -3.076 8.443 1.00 1.00 C ATOM 1037 CD GLN A 69 -3.610 -2.451 9.652 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -3.788 -1.261 9.917 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -2.839 -3.181 10.407 1.00 1.00 N ATOM 0 H GLN A 69 -3.232 -4.192 6.180 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.814 -3.124 6.286 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.091 -1.967 7.024 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.610 -1.192 7.428 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -5.345 -3.246 8.657 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.847 -4.049 8.229 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -2.693 -4.166 10.186 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -2.381 -2.768 11.219 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.774 -1.669 4.146 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.732 -0.751 3.015 1.00 1.00 C ATOM 1050 C ALA A 70 -4.673 -1.227 1.912 1.00 1.00 C ATOM 1051 O ALA A 70 -5.348 -0.425 1.267 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.305 -0.660 2.468 1.00 1.00 C ATOM 0 H ALA A 70 -2.899 -2.159 4.330 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.052 0.234 3.354 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.282 0.028 1.623 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.638 -0.296 3.250 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.977 -1.647 2.141 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.713 -2.542 1.704 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.576 -3.118 0.678 1.00 1.00 C ATOM 1060 C ALA A 71 -7.046 -2.944 1.050 1.00 1.00 C ATOM 1061 O ALA A 71 -7.892 -2.707 0.188 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.263 -4.604 0.500 1.00 1.00 C ATOM 0 H ALA A 71 -4.163 -3.222 2.228 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.387 -2.595 -0.260 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.913 -5.023 -0.268 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.222 -4.723 0.199 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.430 -5.126 1.442 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.341 -3.067 2.342 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.713 -2.926 2.820 1.00 1.00 C ATOM 1070 C ASP A 72 -9.251 -1.533 2.498 1.00 1.00 C ATOM 1071 O ASP A 72 -10.382 -1.380 2.040 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.762 -3.158 4.331 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.199 -3.046 4.828 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -11.050 -2.672 4.038 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.427 -3.337 5.990 1.00 1.00 O ATOM 0 H ASP A 72 -6.655 -3.262 3.071 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.334 -3.668 2.317 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.362 -4.143 4.569 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -8.134 -2.427 4.840 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.433 -0.521 2.742 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.833 0.852 2.462 1.00 1.00 C ATOM 1082 C VAL A 73 -8.912 1.086 0.957 1.00 1.00 C ATOM 1083 O VAL A 73 -9.844 1.723 0.464 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.840 1.831 3.087 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.181 3.260 2.656 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.921 1.725 4.610 1.00 1.00 C ATOM 0 H VAL A 73 -7.495 -0.621 3.130 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.818 1.019 2.897 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.831 1.588 2.754 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.470 3.955 3.104 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.126 3.335 1.570 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.189 3.509 2.987 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.214 2.422 5.061 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.931 1.969 4.939 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.675 0.709 4.918 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.916 0.581 0.234 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.878 0.757 -1.213 1.00 1.00 C ATOM 1098 C ILE A 74 -9.009 -0.010 -1.891 1.00 1.00 C ATOM 1099 O ILE A 74 -9.855 0.582 -2.551 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.532 0.263 -1.762 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.413 1.202 -1.303 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.571 0.226 -3.295 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.053 0.564 -1.604 1.00 1.00 C ATOM 0 H ILE A 74 -7.134 0.053 0.621 1.00 1.00 H new ATOM 0 HA ILE A 74 -8.001 1.819 -1.427 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.343 -0.742 -1.385 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.497 2.162 -1.813 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.505 1.400 -0.235 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.612 -0.126 -3.675 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.361 -0.450 -3.623 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.768 1.227 -3.678 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.257 1.233 -1.277 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -3.971 -0.385 -1.073 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.962 0.389 -2.676 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.019 -1.323 -1.715 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.047 -2.154 -2.325 1.00 1.00 C ATOM 1117 C GLU A 75 -11.433 -1.574 -2.064 1.00 1.00 C ATOM 1118 O GLU A 75 -12.347 -1.732 -2.874 1.00 1.00 O ATOM 1119 CB GLU A 75 -9.957 -3.580 -1.757 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.512 -3.614 -0.321 1.00 1.00 C ATOM 1121 CD GLU A 75 -12.033 -3.758 -0.336 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.533 -4.483 -1.179 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.674 -3.141 0.501 1.00 1.00 O ATOM 0 H GLU A 75 -8.333 -1.833 -1.159 1.00 1.00 H new ATOM 0 HA GLU A 75 -9.885 -2.181 -3.403 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.519 -4.268 -2.389 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -8.920 -3.917 -1.763 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -10.068 -4.445 0.227 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.233 -2.701 0.204 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.582 -0.906 -0.926 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.861 -0.310 -0.566 1.00 1.00 C ATOM 1132 C GLY A 76 -13.227 0.817 -1.526 1.00 1.00 C ATOM 1133 O GLY A 76 -14.383 0.954 -1.925 1.00 1.00 O ATOM 0 H GLY A 76 -10.839 -0.765 -0.242 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.639 -1.073 -0.581 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.813 0.076 0.452 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.234 1.619 -1.891 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.457 2.733 -2.805 1.00 1.00 C ATOM 1139 C LEU A 77 -12.899 2.227 -4.168 1.00 1.00 C ATOM 1140 O LEU A 77 -13.793 2.797 -4.789 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.177 3.561 -2.942 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.903 4.302 -1.623 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.476 4.851 -1.640 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.902 5.467 -1.431 1.00 1.00 C ATOM 0 H LEU A 77 -11.271 1.520 -1.570 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.248 3.363 -2.398 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.336 2.913 -3.189 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.279 4.276 -3.759 1.00 1.00 H new ATOM 0 HG LEU A 77 -11.024 3.602 -0.796 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.277 5.377 -0.706 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.771 4.027 -1.749 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.361 5.540 -2.477 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.690 5.977 -0.492 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.803 6.171 -2.257 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.919 5.075 -1.409 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.269 1.157 -4.629 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.604 0.589 -5.924 1.00 1.00 C ATOM 1158 C LEU A 78 -14.058 0.137 -5.946 1.00 1.00 C ATOM 1159 O LEU A 78 -14.769 0.348 -6.927 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.680 -0.603 -6.212 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.335 -0.100 -6.765 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.515 0.495 -8.184 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -9.766 0.964 -5.817 1.00 1.00 C ATOM 0 H LEU A 78 -11.527 0.668 -4.128 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.467 1.350 -6.692 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.517 -1.177 -5.300 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.151 -1.274 -6.930 1.00 1.00 H new ATOM 0 HG LEU A 78 -9.643 -0.939 -6.833 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.552 0.845 -8.557 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.906 -0.271 -8.853 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.213 1.331 -8.142 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.813 1.324 -6.204 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.465 1.797 -5.743 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.615 0.528 -4.829 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.494 -0.483 -4.862 1.00 1.00 N ATOM 1176 CA GLU A 79 -15.866 -0.956 -4.772 1.00 1.00 C ATOM 1177 C GLU A 79 -16.835 0.218 -4.696 1.00 1.00 C ATOM 1178 O GLU A 79 -17.934 0.165 -5.247 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.030 -1.843 -3.537 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.162 -3.094 -3.688 1.00 1.00 C ATOM 1181 CD GLU A 79 -15.718 -3.989 -4.792 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.816 -3.719 -5.254 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -15.045 -4.941 -5.149 1.00 1.00 O ATOM 0 H GLU A 79 -13.923 -0.670 -4.038 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.092 -1.536 -5.667 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -15.742 -1.294 -2.641 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.076 -2.126 -3.415 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -14.137 -2.808 -3.923 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.133 -3.641 -2.746 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.419 1.276 -4.007 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.260 2.458 -3.861 1.00 1.00 C ATOM 1192 C LYS A 80 -17.564 3.073 -5.221 1.00 1.00 C ATOM 1193 O LYS A 80 -18.704 3.441 -5.505 1.00 1.00 O ATOM 1194 CB LYS A 80 -16.560 3.492 -2.979 1.00 1.00 C ATOM 1195 CG LYS A 80 -17.500 4.674 -2.730 1.00 1.00 C ATOM 1196 CD LYS A 80 -16.825 5.676 -1.792 1.00 1.00 C ATOM 1197 CE LYS A 80 -17.780 6.838 -1.515 1.00 1.00 C ATOM 1198 NZ LYS A 80 -18.015 7.603 -2.773 1.00 1.00 N ATOM 0 H LYS A 80 -15.512 1.339 -3.545 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.197 2.156 -3.394 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -16.269 3.039 -2.031 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -15.645 3.837 -3.461 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -17.752 5.157 -3.674 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -18.434 4.323 -2.292 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -16.549 5.187 -0.858 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -15.904 6.047 -2.241 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -18.725 6.460 -1.125 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -17.360 7.493 -0.752 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -18.415 8.535 -2.543 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -17.114 7.728 -3.277 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -18.680 7.080 -3.378 1.00 1.00 H new ATOM 1212 N LYS A 81 -16.540 3.183 -6.058 1.00 1.00 N ATOM 1213 CA LYS A 81 -16.706 3.758 -7.390 1.00 1.00 C ATOM 1214 C LYS A 81 -17.086 2.676 -8.392 1.00 1.00 C ATOM 1215 O LYS A 81 -17.141 1.495 -8.052 1.00 1.00 O ATOM 1216 CB LYS A 81 -15.407 4.429 -7.830 1.00 1.00 C ATOM 1217 CG LYS A 81 -14.309 3.374 -7.986 1.00 1.00 C ATOM 1218 CD LYS A 81 -12.961 4.063 -8.216 1.00 1.00 C ATOM 1219 CE LYS A 81 -12.942 4.739 -9.591 1.00 1.00 C ATOM 1220 NZ LYS A 81 -11.537 5.053 -9.969 1.00 1.00 N ATOM 0 H LYS A 81 -15.589 2.884 -5.841 1.00 1.00 H new ATOM 0 HA LYS A 81 -17.504 4.500 -7.352 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -15.558 4.953 -8.774 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -15.105 5.176 -7.096 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -14.262 2.750 -7.094 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -14.540 2.716 -8.824 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -12.785 4.803 -7.436 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -12.155 3.333 -8.150 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -13.393 4.084 -10.337 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -13.537 5.652 -9.568 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -11.523 5.512 -10.902 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -11.122 5.693 -9.262 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -10.983 4.174 -10.007 1.00 1.00 H new ATOM 1234 N ALA A 82 -17.345 3.087 -9.630 1.00 1.00 N ATOM 1235 CA ALA A 82 -17.719 2.143 -10.680 1.00 1.00 C ATOM 1236 C ALA A 82 -16.881 0.869 -10.588 1.00 1.00 C ATOM 1237 O ALA A 82 -15.668 0.977 -10.646 1.00 1.00 O ATOM 1238 CB ALA A 82 -17.521 2.790 -12.054 1.00 1.00 C ATOM 1239 OXT ALA A 82 -17.466 -0.194 -10.457 1.00 1.00 O ATOM 0 H ALA A 82 -17.303 4.061 -9.930 1.00 1.00 H new ATOM 0 HA ALA A 82 -18.768 1.879 -10.547 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -17.801 2.082 -12.834 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -18.146 3.680 -12.131 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -16.475 3.070 -12.177 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 7.653 11.403 6.585 1.00 1.00 O HETATM 1247 P24 PNS A 101 8.099 12.949 6.501 1.00 1.00 P HETATM 1248 O25 PNS A 101 9.139 13.071 5.458 1.00 1.00 O HETATM 1249 O26 PNS A 101 6.876 13.781 6.428 1.00 1.00 O HETATM 1250 O27 PNS A 101 8.788 13.195 7.934 1.00 1.00 O HETATM 1251 C28 PNS A 101 8.011 13.637 9.038 1.00 1.00 C HETATM 1252 C29 PNS A 101 8.800 13.414 10.335 1.00 1.00 C HETATM 1253 C30 PNS A 101 10.094 14.224 10.300 1.00 1.00 C HETATM 1254 C31 PNS A 101 9.125 11.921 10.475 1.00 1.00 C HETATM 1255 C32 PNS A 101 7.978 13.877 11.532 1.00 1.00 C HETATM 1256 O33 PNS A 101 7.625 15.233 11.331 1.00 1.00 O HETATM 1257 C34 PNS A 101 6.711 13.033 11.652 1.00 1.00 C HETATM 1258 O35 PNS A 101 5.626 13.469 11.270 1.00 1.00 O HETATM 1259 N36 PNS A 101 6.859 11.822 12.179 1.00 1.00 N HETATM 1260 C37 PNS A 101 5.720 10.923 12.341 1.00 1.00 C HETATM 1261 C38 PNS A 101 5.430 10.193 11.025 1.00 1.00 C HETATM 1262 C39 PNS A 101 4.015 9.624 11.042 1.00 1.00 C HETATM 1263 O40 PNS A 101 3.241 9.889 11.961 1.00 1.00 O HETATM 1264 N41 PNS A 101 3.683 8.842 10.021 1.00 1.00 N HETATM 1265 C42 PNS A 101 2.356 8.243 9.932 1.00 1.00 C HETATM 1266 C43 PNS A 101 2.156 7.230 11.065 1.00 1.00 C HETATM 1267 S44 PNS A 101 2.811 5.641 10.566 1.00 1.00 S HETATM 0 H432 PNS A 101 2.658 7.575 11.969 1.00 1.00 H new HETATM 0 H431 PNS A 101 1.096 7.140 11.304 1.00 1.00 H new HETATM 0 H422 PNS A 101 2.236 7.750 8.968 1.00 1.00 H new HETATM 0 H421 PNS A 101 1.594 9.020 9.990 1.00 1.00 H new HETATM 0 H382 PNS A 101 6.152 9.389 10.879 1.00 1.00 H new HETATM 0 H381 PNS A 101 5.544 10.880 10.186 1.00 1.00 H new HETATM 0 H372 PNS A 101 4.842 11.489 12.652 1.00 1.00 H new HETATM 0 H371 PNS A 101 5.928 10.199 13.129 1.00 1.00 H new HETATM 0 H313 PNS A 101 9.686 11.755 11.395 1.00 1.00 H new HETATM 0 H312 PNS A 101 9.722 11.597 9.623 1.00 1.00 H new HETATM 0 H311 PNS A 101 8.198 11.348 10.507 1.00 1.00 H new HETATM 0 H303 PNS A 101 10.650 14.062 11.223 1.00 1.00 H new HETATM 0 H302 PNS A 101 9.858 15.283 10.200 1.00 1.00 H new HETATM 0 H301 PNS A 101 10.699 13.906 9.451 1.00 1.00 H new HETATM 0 H282 PNS A 101 7.067 13.093 9.075 1.00 1.00 H new HETATM 0 H281 PNS A 101 7.766 14.693 8.925 1.00 1.00 H new HETATM 0 H41 PNS A 101 4.367 8.657 9.287 1.00 1.00 H new HETATM 0 H36 PNS A 101 7.785 11.515 12.476 1.00 1.00 H new HETATM 0 H33 PNS A 101 6.655 15.304 11.210 1.00 1.00 H new HETATM 0 H32 PNS A 101 8.560 13.768 12.447 1.00 1.00 H new HETATM 1288 C1 DKA A 102 2.132 4.958 9.118 1.00 1.00 C HETATM 1289 O1 DKA A 102 1.268 5.501 8.469 1.00 1.00 O HETATM 1290 C2 DKA A 102 2.748 3.630 8.791 1.00 1.00 C HETATM 1291 C3 DKA A 102 2.157 3.089 7.491 1.00 1.00 C HETATM 1292 C4 DKA A 102 2.708 3.889 6.307 1.00 1.00 C HETATM 1293 C5 DKA A 102 2.191 3.295 4.988 1.00 1.00 C HETATM 1294 C6 DKA A 102 0.767 3.789 4.707 1.00 1.00 C HETATM 1295 C7 DKA A 102 0.359 3.389 3.292 1.00 1.00 C HETATM 1296 C8 DKA A 102 -1.101 3.784 3.058 1.00 1.00 C HETATM 1297 C9 DKA A 102 -1.624 3.084 1.805 1.00 1.00 C HETATM 1298 C10 DKA A 102 -2.967 3.694 1.402 1.00 1.00 C HETATM 0 H103 DKA A 102 -3.683 3.567 2.214 1.00 1.00 H new HETATM 0 H102 DKA A 102 -2.837 4.756 1.196 1.00 1.00 H new HETATM 0 H101 DKA A 102 -3.340 3.194 0.508 1.00 1.00 H new HETATM 0 H92 DKA A 102 -0.906 3.188 0.991 1.00 1.00 H new HETATM 0 H91 DKA A 102 -1.739 2.017 1.993 1.00 1.00 H new HETATM 0 H82 DKA A 102 -1.706 3.508 3.921 1.00 1.00 H new HETATM 0 H81 DKA A 102 -1.183 4.865 2.944 1.00 1.00 H new HETATM 0 H72 DKA A 102 1.003 3.881 2.563 1.00 1.00 H new HETATM 0 H71 DKA A 102 0.484 2.315 3.155 1.00 1.00 H new HETATM 0 H62 DKA A 102 0.073 3.362 5.431 1.00 1.00 H new HETATM 0 H61 DKA A 102 0.718 4.872 4.819 1.00 1.00 H new HETATM 0 H52 DKA A 102 2.851 3.580 4.169 1.00 1.00 H new HETATM 0 H51 DKA A 102 2.202 2.206 5.042 1.00 1.00 H new HETATM 0 H42 DKA A 102 2.405 4.933 6.389 1.00 1.00 H new HETATM 0 H41 DKA A 102 3.798 3.872 6.321 1.00 1.00 H new HETATM 0 H32 DKA A 102 2.406 2.034 7.378 1.00 1.00 H new HETATM 0 H31 DKA A 102 1.070 3.159 7.517 1.00 1.00 H new HETATM 0 H22 DKA A 102 3.829 3.735 8.694 1.00 1.00 H new HETATM 0 H21 DKA A 102 2.568 2.926 9.603 1.00 1.00 H new