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 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 GLN : amide:sc= -2.34! C(o=-2.3!,f=-12!) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -124:sc= 0.0806 (180deg=-0.618) USER MOD Set 2.2: A 47 ASN :FLIP amide:sc= -2.8 F(o=-17!,f=-2.7) USER MOD Set 3.1: A 26 THR OG1 : rot 25:sc= 0.576 USER MOD Set 3.2: A 29 SER OG : rot -140:sc= 1.62 USER MOD Set 4.1: A 10 SER OG : rot -24:sc= -0.346 USER MOD Set 4.2: A 14 LYS NZ :NH3+ -175:sc= 0.262 (180deg=0.257) USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.429 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -155:sc= -0.0523 (180deg=-0.367) USER MOD Single : A 3 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.104) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 8 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+ -170:sc= 0 (180deg=-0.102) USER MOD Single : A 41 THR OG1 : rot 37:sc= -1.25 USER MOD Single : A 46 MET CE :methyl 144:sc= -1.37 (180deg=-4.51!) USER MOD Single : A 55 ASN : amide:sc= -1.04 K(o=-1,f=-2.3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.68) USER MOD Single : A 66 THR OG1 : rot -130:sc= -0.494 USER MOD Single : A 68 GLN :FLIP amide:sc= -2.2! C(o=-9.5!,f=-2.2!) USER MOD Single : A 80 LYS NZ :NH3+ 160:sc= -0.0705 (180deg=-0.556) USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= -0.0281 (180deg=-0.302) USER MOD Single : A 101 PNS O33 : rot 180:sc= -0.0838 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.786 -7.576 1.603 1.00 1.00 N ATOM 2 CA ALA A 1 -9.155 -7.472 0.257 1.00 1.00 C ATOM 3 C ALA A 1 -8.819 -8.872 -0.250 1.00 1.00 C ATOM 4 O ALA A 1 -8.452 -9.753 0.527 1.00 1.00 O ATOM 5 CB ALA A 1 -7.879 -6.628 0.358 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.796 -7.340 1.532 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.682 -8.547 1.961 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.321 -6.914 2.257 1.00 1.00 H new ATOM 0 HA ALA A 1 -9.843 -6.994 -0.440 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.415 -6.550 -0.625 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.130 -5.631 0.721 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.183 -7.102 1.051 1.00 1.00 H new ATOM 13 N LYS A 2 -8.945 -9.071 -1.556 1.00 1.00 N ATOM 14 CA LYS A 2 -8.649 -10.368 -2.150 1.00 1.00 C ATOM 15 C LYS A 2 -7.141 -10.585 -2.195 1.00 1.00 C ATOM 16 O LYS A 2 -6.365 -9.637 -2.323 1.00 1.00 O ATOM 17 CB LYS A 2 -9.219 -10.429 -3.580 1.00 1.00 C ATOM 18 CG LYS A 2 -9.103 -9.038 -4.244 1.00 1.00 C ATOM 19 CD LYS A 2 -10.386 -8.215 -3.991 1.00 1.00 C ATOM 20 CE LYS A 2 -11.422 -8.537 -5.070 1.00 1.00 C ATOM 21 NZ LYS A 2 -11.011 -7.896 -6.347 1.00 1.00 N ATOM 0 H LYS A 2 -9.248 -8.357 -2.219 1.00 1.00 H new ATOM 0 HA LYS A 2 -9.108 -11.149 -1.544 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.677 -11.170 -4.167 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.262 -10.745 -3.553 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.238 -8.508 -3.845 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.941 -9.151 -5.316 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -10.789 -8.445 -3.005 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.155 -7.150 -4.000 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -11.506 -9.616 -5.201 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -12.405 -8.176 -4.767 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -11.850 -7.737 -6.941 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -10.551 -6.985 -6.146 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -10.345 -8.517 -6.849 1.00 1.00 H new ATOM 35 N LYS A 3 -6.738 -11.838 -2.097 1.00 1.00 N ATOM 36 CA LYS A 3 -5.326 -12.185 -2.136 1.00 1.00 C ATOM 37 C LYS A 3 -4.666 -11.600 -3.379 1.00 1.00 C ATOM 38 O LYS A 3 -3.447 -11.426 -3.423 1.00 1.00 O ATOM 39 CB LYS A 3 -5.163 -13.713 -2.142 1.00 1.00 C ATOM 40 CG LYS A 3 -5.685 -14.324 -3.458 1.00 1.00 C ATOM 41 CD LYS A 3 -7.194 -14.075 -3.595 1.00 1.00 C ATOM 42 CE LYS A 3 -7.792 -15.055 -4.592 1.00 1.00 C ATOM 43 NZ LYS A 3 -7.190 -14.817 -5.932 1.00 1.00 N ATOM 0 H LYS A 3 -7.367 -12.634 -1.990 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.844 -11.770 -1.251 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -4.112 -13.970 -2.010 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -5.704 -14.142 -1.299 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -5.158 -13.886 -4.305 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.482 -15.395 -3.476 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -7.679 -14.187 -2.626 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.374 -13.052 -3.925 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -7.603 -16.079 -4.272 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -8.874 -14.930 -4.639 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -7.721 -15.349 -6.651 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -7.228 -13.802 -6.154 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -6.199 -15.134 -5.929 1.00 1.00 H new ATOM 57 N GLU A 4 -5.476 -11.311 -4.394 1.00 1.00 N ATOM 58 CA GLU A 4 -4.952 -10.762 -5.638 1.00 1.00 C ATOM 59 C GLU A 4 -4.521 -9.314 -5.446 1.00 1.00 C ATOM 60 O GLU A 4 -3.434 -8.923 -5.866 1.00 1.00 O ATOM 61 CB GLU A 4 -6.017 -10.836 -6.735 1.00 1.00 C ATOM 62 CG GLU A 4 -5.386 -10.502 -8.090 1.00 1.00 C ATOM 63 CD GLU A 4 -4.462 -11.633 -8.527 1.00 1.00 C ATOM 64 OE1 GLU A 4 -4.458 -12.658 -7.864 1.00 1.00 O ATOM 65 OE2 GLU A 4 -3.773 -11.460 -9.519 1.00 1.00 O ATOM 0 H GLU A 4 -6.487 -11.446 -4.379 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.085 -11.352 -5.933 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.455 -11.834 -6.763 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -6.826 -10.138 -6.518 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -6.166 -10.350 -8.836 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -4.825 -9.570 -8.020 1.00 1.00 H new ATOM 72 N THR A 5 -5.381 -8.528 -4.808 1.00 1.00 N ATOM 73 CA THR A 5 -5.089 -7.119 -4.564 1.00 1.00 C ATOM 74 C THR A 5 -3.833 -6.970 -3.714 1.00 1.00 C ATOM 75 O THR A 5 -2.987 -6.119 -3.985 1.00 1.00 O ATOM 76 CB THR A 5 -6.269 -6.450 -3.854 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.414 -6.501 -4.693 1.00 1.00 O ATOM 78 CG2 THR A 5 -5.927 -4.991 -3.552 1.00 1.00 C ATOM 0 H THR A 5 -6.284 -8.841 -4.451 1.00 1.00 H new ATOM 0 HA THR A 5 -4.924 -6.634 -5.526 1.00 1.00 H new ATOM 0 HB THR A 5 -6.474 -6.974 -2.921 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.171 -6.075 -4.240 1.00 1.00 H new ATOM 0 HG21 THR A 5 -6.769 -4.517 -3.047 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.047 -4.949 -2.910 1.00 1.00 H new ATOM 0 HG23 THR A 5 -5.721 -4.465 -4.484 1.00 1.00 H new ATOM 86 N ILE A 6 -3.721 -7.800 -2.687 1.00 1.00 N ATOM 87 CA ILE A 6 -2.567 -7.749 -1.801 1.00 1.00 C ATOM 88 C ILE A 6 -1.276 -7.903 -2.601 1.00 1.00 C ATOM 89 O ILE A 6 -0.280 -7.239 -2.318 1.00 1.00 O ATOM 90 CB ILE A 6 -2.655 -8.867 -0.757 1.00 1.00 C ATOM 91 CG1 ILE A 6 -4.001 -8.783 -0.033 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.519 -8.718 0.264 1.00 1.00 C ATOM 93 CD1 ILE A 6 -4.130 -9.945 0.960 1.00 1.00 C ATOM 0 H ILE A 6 -4.410 -8.513 -2.447 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.562 -6.782 -1.297 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.566 -9.831 -1.257 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -4.083 -7.832 0.493 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.816 -8.818 -0.756 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.587 -9.516 1.003 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.559 -8.779 -0.248 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.603 -7.753 0.763 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -5.090 -9.881 1.473 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.068 -10.891 0.423 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.324 -9.890 1.691 1.00 1.00 H new ATOM 105 N ASP A 7 -1.298 -8.788 -3.593 1.00 1.00 N ATOM 106 CA ASP A 7 -0.120 -9.019 -4.415 1.00 1.00 C ATOM 107 C ASP A 7 0.254 -7.759 -5.185 1.00 1.00 C ATOM 108 O ASP A 7 1.432 -7.420 -5.303 1.00 1.00 O ATOM 109 CB ASP A 7 -0.391 -10.159 -5.398 1.00 1.00 C ATOM 110 CG ASP A 7 -0.437 -11.491 -4.654 1.00 1.00 C ATOM 111 OD1 ASP A 7 0.006 -11.530 -3.518 1.00 1.00 O ATOM 112 OD2 ASP A 7 -0.916 -12.453 -5.232 1.00 1.00 O ATOM 0 H ASP A 7 -2.111 -9.351 -3.844 1.00 1.00 H new ATOM 0 HA ASP A 7 0.710 -9.288 -3.762 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.336 -9.988 -5.914 1.00 1.00 H new ATOM 0 HB3 ASP A 7 0.388 -10.186 -6.160 1.00 1.00 H new ATOM 117 N LYS A 8 -0.754 -7.074 -5.716 1.00 1.00 N ATOM 118 CA LYS A 8 -0.510 -5.859 -6.481 1.00 1.00 C ATOM 119 C LYS A 8 0.104 -4.777 -5.606 1.00 1.00 C ATOM 120 O LYS A 8 1.079 -4.130 -5.992 1.00 1.00 O ATOM 121 CB LYS A 8 -1.816 -5.346 -7.073 1.00 1.00 C ATOM 122 CG LYS A 8 -2.523 -6.480 -7.843 1.00 1.00 C ATOM 123 CD LYS A 8 -3.389 -5.892 -8.960 1.00 1.00 C ATOM 124 CE LYS A 8 -4.364 -4.880 -8.361 1.00 1.00 C ATOM 125 NZ LYS A 8 -5.435 -4.578 -9.353 1.00 1.00 N ATOM 0 H LYS A 8 -1.736 -7.336 -5.632 1.00 1.00 H new ATOM 0 HA LYS A 8 0.189 -6.100 -7.282 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.464 -4.974 -6.279 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.618 -4.508 -7.742 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -1.784 -7.161 -8.265 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.141 -7.064 -7.161 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -2.760 -5.410 -9.708 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -3.937 -6.686 -9.468 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -4.802 -5.278 -7.446 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -3.836 -3.966 -8.090 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -6.100 -3.889 -8.947 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -5.008 -4.181 -10.215 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -5.945 -5.453 -9.590 1.00 1.00 H new ATOM 139 N VAL A 9 -0.471 -4.583 -4.426 1.00 1.00 N ATOM 140 CA VAL A 9 0.030 -3.576 -3.509 1.00 1.00 C ATOM 141 C VAL A 9 1.445 -3.919 -3.057 1.00 1.00 C ATOM 142 O VAL A 9 2.317 -3.056 -3.042 1.00 1.00 O ATOM 143 CB VAL A 9 -0.886 -3.479 -2.285 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.324 -2.453 -1.296 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.289 -3.047 -2.719 1.00 1.00 C ATOM 0 H VAL A 9 -1.278 -5.106 -4.086 1.00 1.00 H new ATOM 0 HA VAL A 9 0.047 -2.618 -4.028 1.00 1.00 H new ATOM 0 HB VAL A 9 -0.939 -4.456 -1.805 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -0.979 -2.388 -0.427 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.671 -2.762 -0.977 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.264 -1.478 -1.779 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.936 -2.980 -1.844 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.235 -2.074 -3.206 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.696 -3.780 -3.416 1.00 1.00 H new ATOM 155 N SER A 10 1.669 -5.177 -2.691 1.00 1.00 N ATOM 156 CA SER A 10 2.975 -5.599 -2.237 1.00 1.00 C ATOM 157 C SER A 10 4.003 -5.424 -3.333 1.00 1.00 C ATOM 158 O SER A 10 5.075 -4.888 -3.081 1.00 1.00 O ATOM 159 CB SER A 10 2.918 -7.063 -1.805 1.00 1.00 C ATOM 160 OG SER A 10 2.444 -7.854 -2.886 1.00 1.00 O ATOM 0 H SER A 10 0.963 -5.913 -2.702 1.00 1.00 H new ATOM 0 HA SER A 10 3.268 -4.981 -1.389 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.907 -7.402 -1.498 1.00 1.00 H new ATOM 0 HB3 SER A 10 2.261 -7.174 -0.943 1.00 1.00 H new ATOM 0 HG SER A 10 1.921 -7.294 -3.496 1.00 1.00 H new ATOM 166 N ASP A 11 3.669 -5.879 -4.541 1.00 1.00 N ATOM 167 CA ASP A 11 4.576 -5.785 -5.671 1.00 1.00 C ATOM 168 C ASP A 11 5.112 -4.368 -5.815 1.00 1.00 C ATOM 169 O ASP A 11 6.307 -4.163 -6.007 1.00 1.00 O ATOM 170 CB ASP A 11 3.845 -6.199 -6.960 1.00 1.00 C ATOM 171 CG ASP A 11 3.755 -7.726 -7.061 1.00 1.00 C ATOM 172 OD1 ASP A 11 4.330 -8.398 -6.220 1.00 1.00 O ATOM 173 OD2 ASP A 11 3.113 -8.197 -7.986 1.00 1.00 O ATOM 0 H ASP A 11 2.773 -6.316 -4.756 1.00 1.00 H new ATOM 0 HA ASP A 11 5.417 -6.457 -5.498 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.844 -5.769 -6.971 1.00 1.00 H new ATOM 0 HB3 ASP A 11 4.372 -5.802 -7.827 1.00 1.00 H new ATOM 178 N ILE A 12 4.227 -3.397 -5.715 1.00 1.00 N ATOM 179 CA ILE A 12 4.622 -2.002 -5.828 1.00 1.00 C ATOM 180 C ILE A 12 5.454 -1.577 -4.623 1.00 1.00 C ATOM 181 O ILE A 12 6.448 -0.866 -4.763 1.00 1.00 O ATOM 182 CB ILE A 12 3.380 -1.121 -5.933 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.508 -1.595 -7.114 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.810 0.334 -6.156 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.072 -1.123 -6.911 1.00 1.00 C ATOM 0 H ILE A 12 3.230 -3.545 -5.556 1.00 1.00 H new ATOM 0 HA ILE A 12 5.229 -1.886 -6.726 1.00 1.00 H new ATOM 0 HB ILE A 12 2.802 -1.191 -5.012 1.00 1.00 H new ATOM 0 HG12 ILE A 12 2.902 -1.201 -8.051 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.537 -2.682 -7.188 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.926 0.967 -6.232 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.423 0.665 -5.317 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.387 0.406 -7.078 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.457 -1.459 -7.746 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.680 -1.538 -5.982 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.051 -0.034 -6.859 1.00 1.00 H new ATOM 197 N VAL A 13 5.029 -1.997 -3.436 1.00 1.00 N ATOM 198 CA VAL A 13 5.745 -1.634 -2.216 1.00 1.00 C ATOM 199 C VAL A 13 7.154 -2.225 -2.190 1.00 1.00 C ATOM 200 O VAL A 13 8.129 -1.514 -1.950 1.00 1.00 O ATOM 201 CB VAL A 13 4.965 -2.138 -0.997 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.771 -1.874 0.280 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.617 -1.410 -0.919 1.00 1.00 C ATOM 0 H VAL A 13 4.205 -2.581 -3.292 1.00 1.00 H new ATOM 0 HA VAL A 13 5.832 -0.548 -2.190 1.00 1.00 H new ATOM 0 HB VAL A 13 4.794 -3.210 -1.094 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.212 -2.234 1.144 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.726 -2.396 0.222 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.949 -0.804 0.383 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.060 -1.767 -0.053 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.788 -0.338 -0.824 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.044 -1.607 -1.825 1.00 1.00 H new ATOM 213 N LYS A 14 7.260 -3.524 -2.431 1.00 1.00 N ATOM 214 CA LYS A 14 8.559 -4.183 -2.422 1.00 1.00 C ATOM 215 C LYS A 14 9.443 -3.651 -3.536 1.00 1.00 C ATOM 216 O LYS A 14 10.659 -3.539 -3.379 1.00 1.00 O ATOM 217 CB LYS A 14 8.368 -5.686 -2.573 1.00 1.00 C ATOM 218 CG LYS A 14 7.819 -6.013 -3.972 1.00 1.00 C ATOM 219 CD LYS A 14 7.499 -7.513 -4.082 1.00 1.00 C ATOM 220 CE LYS A 14 6.510 -7.949 -2.998 1.00 1.00 C ATOM 221 NZ LYS A 14 5.734 -9.115 -3.486 1.00 1.00 N ATOM 0 H LYS A 14 6.471 -4.138 -2.633 1.00 1.00 H new ATOM 0 HA LYS A 14 9.051 -3.974 -1.472 1.00 1.00 H new ATOM 0 HB2 LYS A 14 9.318 -6.198 -2.418 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.681 -6.051 -1.810 1.00 1.00 H new ATOM 0 HG2 LYS A 14 6.920 -5.427 -4.163 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.549 -5.733 -4.731 1.00 1.00 H new ATOM 0 HD2 LYS A 14 7.082 -7.727 -5.066 1.00 1.00 H new ATOM 0 HD3 LYS A 14 8.419 -8.091 -3.993 1.00 1.00 H new ATOM 0 HE2 LYS A 14 7.045 -8.209 -2.085 1.00 1.00 H new ATOM 0 HE3 LYS A 14 5.838 -7.127 -2.751 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 5.003 -9.362 -2.788 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.282 -8.877 -4.392 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 6.372 -9.925 -3.621 1.00 1.00 H new ATOM 235 N GLU A 15 8.824 -3.319 -4.658 1.00 1.00 N ATOM 236 CA GLU A 15 9.562 -2.791 -5.794 1.00 1.00 C ATOM 237 C GLU A 15 10.117 -1.413 -5.468 1.00 1.00 C ATOM 238 O GLU A 15 11.218 -1.057 -5.881 1.00 1.00 O ATOM 239 CB GLU A 15 8.642 -2.717 -7.027 1.00 1.00 C ATOM 240 CG GLU A 15 8.523 -4.109 -7.669 1.00 1.00 C ATOM 241 CD GLU A 15 9.820 -4.461 -8.389 1.00 1.00 C ATOM 242 OE1 GLU A 15 10.560 -3.549 -8.720 1.00 1.00 O ATOM 243 OE2 GLU A 15 10.056 -5.640 -8.598 1.00 1.00 O ATOM 0 H GLU A 15 7.818 -3.405 -4.806 1.00 1.00 H new ATOM 0 HA GLU A 15 10.396 -3.457 -6.014 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.656 -2.355 -6.736 1.00 1.00 H new ATOM 0 HB3 GLU A 15 9.042 -2.006 -7.749 1.00 1.00 H new ATOM 0 HG2 GLU A 15 8.308 -4.855 -6.904 1.00 1.00 H new ATOM 0 HG3 GLU A 15 7.691 -4.125 -8.372 1.00 1.00 H new ATOM 250 N LYS A 16 9.346 -0.645 -4.728 1.00 1.00 N ATOM 251 CA LYS A 16 9.769 0.688 -4.349 1.00 1.00 C ATOM 252 C LYS A 16 10.866 0.636 -3.299 1.00 1.00 C ATOM 253 O LYS A 16 11.766 1.474 -3.284 1.00 1.00 O ATOM 254 CB LYS A 16 8.581 1.471 -3.809 1.00 1.00 C ATOM 255 CG LYS A 16 7.597 1.799 -4.955 1.00 1.00 C ATOM 256 CD LYS A 16 7.998 3.108 -5.663 1.00 1.00 C ATOM 257 CE LYS A 16 7.666 4.315 -4.787 1.00 1.00 C ATOM 258 NZ LYS A 16 7.650 5.535 -5.625 1.00 1.00 N ATOM 0 H LYS A 16 8.428 -0.918 -4.378 1.00 1.00 H new ATOM 0 HA LYS A 16 10.165 1.185 -5.235 1.00 1.00 H new ATOM 0 HB2 LYS A 16 8.073 0.891 -3.038 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.926 2.393 -3.340 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.584 0.980 -5.675 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.586 1.890 -4.558 1.00 1.00 H new ATOM 0 HD2 LYS A 16 9.065 3.096 -5.886 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.474 3.188 -6.616 1.00 1.00 H new ATOM 0 HE2 LYS A 16 6.697 4.176 -4.308 1.00 1.00 H new ATOM 0 HE3 LYS A 16 8.404 4.416 -3.991 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 8.314 6.234 -5.234 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 7.934 5.293 -6.596 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.691 5.937 -5.635 1.00 1.00 H new ATOM 272 N LEU A 17 10.769 -0.342 -2.408 1.00 1.00 N ATOM 273 CA LEU A 17 11.748 -0.487 -1.334 1.00 1.00 C ATOM 274 C LEU A 17 12.902 -1.375 -1.774 1.00 1.00 C ATOM 275 O LEU A 17 13.940 -1.426 -1.117 1.00 1.00 O ATOM 276 CB LEU A 17 11.072 -1.103 -0.107 1.00 1.00 C ATOM 277 CG LEU A 17 9.912 -0.205 0.357 1.00 1.00 C ATOM 278 CD1 LEU A 17 9.176 -0.882 1.520 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.447 1.170 0.806 1.00 1.00 C ATOM 0 H LEU A 17 10.028 -1.043 -2.405 1.00 1.00 H new ATOM 0 HA LEU A 17 12.141 0.499 -1.086 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.699 -2.099 -0.348 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.797 -1.220 0.698 1.00 1.00 H new ATOM 0 HG LEU A 17 9.222 -0.057 -0.474 1.00 1.00 H new ATOM 0 HD11 LEU A 17 8.354 -0.247 1.850 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.782 -1.843 1.191 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.868 -1.038 2.347 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.616 1.795 1.132 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.146 1.037 1.632 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.958 1.651 -0.028 1.00 1.00 H new ATOM 291 N ALA A 18 12.721 -2.059 -2.896 1.00 1.00 N ATOM 292 CA ALA A 18 13.763 -2.936 -3.415 1.00 1.00 C ATOM 293 C ALA A 18 13.367 -3.489 -4.780 1.00 1.00 C ATOM 294 O ALA A 18 12.616 -2.864 -5.520 1.00 1.00 O ATOM 295 CB ALA A 18 14.010 -4.094 -2.442 1.00 1.00 C ATOM 0 H ALA A 18 11.872 -2.025 -3.460 1.00 1.00 H new ATOM 0 HA ALA A 18 14.679 -2.355 -3.523 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.790 -4.743 -2.839 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.325 -3.697 -1.477 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.091 -4.666 -2.317 1.00 1.00 H new ATOM 301 N LEU A 19 13.876 -4.672 -5.104 1.00 1.00 N ATOM 302 CA LEU A 19 13.568 -5.306 -6.388 1.00 1.00 C ATOM 303 C LEU A 19 12.404 -6.278 -6.239 1.00 1.00 C ATOM 304 O LEU A 19 11.728 -6.602 -7.213 1.00 1.00 O ATOM 305 CB LEU A 19 14.795 -6.056 -6.899 1.00 1.00 C ATOM 306 CG LEU A 19 16.008 -5.119 -6.887 1.00 1.00 C ATOM 307 CD1 LEU A 19 17.252 -5.891 -7.335 1.00 1.00 C ATOM 308 CD2 LEU A 19 15.767 -3.932 -7.838 1.00 1.00 C ATOM 0 H LEU A 19 14.499 -5.211 -4.503 1.00 1.00 H new ATOM 0 HA LEU A 19 13.289 -4.530 -7.101 1.00 1.00 H new ATOM 0 HB2 LEU A 19 14.989 -6.927 -6.273 1.00 1.00 H new ATOM 0 HB3 LEU A 19 14.615 -6.423 -7.910 1.00 1.00 H new ATOM 0 HG LEU A 19 16.157 -4.739 -5.876 1.00 1.00 H new ATOM 0 HD11 LEU A 19 18.115 -5.226 -7.327 1.00 1.00 H new ATOM 0 HD12 LEU A 19 17.429 -6.723 -6.654 1.00 1.00 H new ATOM 0 HD13 LEU A 19 17.099 -6.274 -8.344 1.00 1.00 H new ATOM 0 HD21 LEU A 19 16.634 -3.272 -7.823 1.00 1.00 H new ATOM 0 HD22 LEU A 19 15.611 -4.303 -8.851 1.00 1.00 H new ATOM 0 HD23 LEU A 19 14.885 -3.380 -7.514 1.00 1.00 H new ATOM 320 N GLY A 20 12.173 -6.737 -5.013 1.00 1.00 N ATOM 321 CA GLY A 20 11.083 -7.673 -4.744 1.00 1.00 C ATOM 322 C GLY A 20 11.575 -9.112 -4.817 1.00 1.00 C ATOM 323 O GLY A 20 10.930 -10.024 -4.303 1.00 1.00 O ATOM 0 H GLY A 20 12.722 -6.479 -4.193 1.00 1.00 H new ATOM 0 HA2 GLY A 20 10.665 -7.477 -3.757 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.281 -7.521 -5.466 1.00 1.00 H new ATOM 327 N ALA A 21 12.724 -9.308 -5.459 1.00 1.00 N ATOM 328 CA ALA A 21 13.299 -10.644 -5.594 1.00 1.00 C ATOM 329 C ALA A 21 14.188 -10.973 -4.400 1.00 1.00 C ATOM 330 O ALA A 21 14.290 -12.129 -3.993 1.00 1.00 O ATOM 331 CB ALA A 21 14.122 -10.731 -6.878 1.00 1.00 C ATOM 0 H ALA A 21 13.272 -8.564 -5.891 1.00 1.00 H new ATOM 0 HA ALA A 21 12.482 -11.364 -5.633 1.00 1.00 H new ATOM 0 HB1 ALA A 21 14.547 -11.730 -6.971 1.00 1.00 H new ATOM 0 HB2 ALA A 21 13.481 -10.528 -7.736 1.00 1.00 H new ATOM 0 HB3 ALA A 21 14.926 -9.996 -6.845 1.00 1.00 H new ATOM 337 N ASP A 22 14.830 -9.947 -3.843 1.00 1.00 N ATOM 338 CA ASP A 22 15.712 -10.137 -2.691 1.00 1.00 C ATOM 339 C ASP A 22 14.967 -9.880 -1.389 1.00 1.00 C ATOM 340 O ASP A 22 15.521 -10.049 -0.304 1.00 1.00 O ATOM 341 CB ASP A 22 16.901 -9.182 -2.788 1.00 1.00 C ATOM 342 CG ASP A 22 16.410 -7.748 -2.950 1.00 1.00 C ATOM 343 OD1 ASP A 22 15.216 -7.565 -3.120 1.00 1.00 O ATOM 344 OD2 ASP A 22 17.237 -6.853 -2.908 1.00 1.00 O ATOM 0 H ASP A 22 14.757 -8.983 -4.167 1.00 1.00 H new ATOM 0 HA ASP A 22 16.063 -11.169 -2.696 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.517 -9.264 -1.893 1.00 1.00 H new ATOM 0 HB3 ASP A 22 17.530 -9.457 -3.635 1.00 1.00 H new ATOM 349 N VAL A 23 13.705 -9.470 -1.501 1.00 1.00 N ATOM 350 CA VAL A 23 12.882 -9.189 -0.325 1.00 1.00 C ATOM 351 C VAL A 23 11.523 -9.861 -0.457 1.00 1.00 C ATOM 352 O VAL A 23 11.052 -10.110 -1.567 1.00 1.00 O ATOM 353 CB VAL A 23 12.693 -7.679 -0.171 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.928 -7.122 -1.372 1.00 1.00 C ATOM 355 CG2 VAL A 23 11.910 -7.395 1.112 1.00 1.00 C ATOM 0 H VAL A 23 13.230 -9.325 -2.392 1.00 1.00 H new ATOM 0 HA VAL A 23 13.388 -9.583 0.556 1.00 1.00 H new ATOM 0 HB VAL A 23 13.670 -7.198 -0.119 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.798 -6.046 -1.254 1.00 1.00 H new ATOM 0 HG12 VAL A 23 12.489 -7.321 -2.285 1.00 1.00 H new ATOM 0 HG13 VAL A 23 10.951 -7.601 -1.435 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.774 -6.319 1.225 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.936 -7.881 1.059 1.00 1.00 H new ATOM 0 HG23 VAL A 23 12.462 -7.782 1.968 1.00 1.00 H new ATOM 365 N VAL A 24 10.895 -10.145 0.678 1.00 1.00 N ATOM 366 CA VAL A 24 9.579 -10.783 0.691 1.00 1.00 C ATOM 367 C VAL A 24 8.608 -9.966 1.531 1.00 1.00 C ATOM 368 O VAL A 24 8.919 -9.590 2.662 1.00 1.00 O ATOM 369 CB VAL A 24 9.689 -12.195 1.264 1.00 1.00 C ATOM 370 CG1 VAL A 24 10.191 -12.126 2.707 1.00 1.00 C ATOM 371 CG2 VAL A 24 8.313 -12.861 1.230 1.00 1.00 C ATOM 0 H VAL A 24 11.274 -9.944 1.603 1.00 1.00 H new ATOM 0 HA VAL A 24 9.207 -10.837 -0.332 1.00 1.00 H new ATOM 0 HB VAL A 24 10.391 -12.778 0.668 1.00 1.00 H new ATOM 0 HG11 VAL A 24 10.269 -13.134 3.114 1.00 1.00 H new ATOM 0 HG12 VAL A 24 11.171 -11.649 2.729 1.00 1.00 H new ATOM 0 HG13 VAL A 24 9.492 -11.545 3.308 1.00 1.00 H new ATOM 0 HG21 VAL A 24 8.387 -13.869 1.638 1.00 1.00 H new ATOM 0 HG22 VAL A 24 7.612 -12.278 1.827 1.00 1.00 H new ATOM 0 HG23 VAL A 24 7.958 -12.911 0.201 1.00 1.00 H new ATOM 381 N VAL A 25 7.434 -9.690 0.969 1.00 1.00 N ATOM 382 CA VAL A 25 6.408 -8.909 1.666 1.00 1.00 C ATOM 383 C VAL A 25 5.164 -9.760 1.895 1.00 1.00 C ATOM 384 O VAL A 25 4.708 -10.464 0.995 1.00 1.00 O ATOM 385 CB VAL A 25 6.033 -7.675 0.841 1.00 1.00 C ATOM 386 CG1 VAL A 25 4.828 -6.977 1.480 1.00 1.00 C ATOM 387 CG2 VAL A 25 7.220 -6.711 0.800 1.00 1.00 C ATOM 0 H VAL A 25 7.167 -9.994 0.033 1.00 1.00 H new ATOM 0 HA VAL A 25 6.810 -8.592 2.628 1.00 1.00 H new ATOM 0 HB VAL A 25 5.777 -7.980 -0.174 1.00 1.00 H new ATOM 0 HG11 VAL A 25 4.562 -6.099 0.892 1.00 1.00 H new ATOM 0 HG12 VAL A 25 3.982 -7.664 1.509 1.00 1.00 H new ATOM 0 HG13 VAL A 25 5.081 -6.671 2.495 1.00 1.00 H new ATOM 0 HG21 VAL A 25 6.955 -5.832 0.213 1.00 1.00 H new ATOM 0 HG22 VAL A 25 7.476 -6.406 1.815 1.00 1.00 H new ATOM 0 HG23 VAL A 25 8.076 -7.207 0.343 1.00 1.00 H new ATOM 397 N THR A 26 4.625 -9.688 3.108 1.00 1.00 N ATOM 398 CA THR A 26 3.428 -10.450 3.471 1.00 1.00 C ATOM 399 C THR A 26 2.412 -9.548 4.163 1.00 1.00 C ATOM 400 O THR A 26 2.748 -8.461 4.634 1.00 1.00 O ATOM 401 CB THR A 26 3.810 -11.621 4.397 1.00 1.00 C ATOM 402 OG1 THR A 26 4.856 -11.216 5.266 1.00 1.00 O ATOM 403 CG2 THR A 26 4.276 -12.811 3.562 1.00 1.00 C ATOM 0 H THR A 26 4.997 -9.109 3.861 1.00 1.00 H new ATOM 0 HA THR A 26 2.978 -10.847 2.561 1.00 1.00 H new ATOM 0 HB THR A 26 2.939 -11.912 4.984 1.00 1.00 H new ATOM 0 HG1 THR A 26 4.829 -10.243 5.379 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.545 -13.636 4.222 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.472 -13.126 2.897 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.145 -12.522 2.970 1.00 1.00 H new ATOM 411 N ALA A 27 1.168 -10.008 4.207 1.00 1.00 N ATOM 412 CA ALA A 27 0.104 -9.245 4.830 1.00 1.00 C ATOM 413 C ALA A 27 0.448 -8.933 6.279 1.00 1.00 C ATOM 414 O ALA A 27 -0.053 -7.969 6.853 1.00 1.00 O ATOM 415 CB ALA A 27 -1.194 -10.039 4.770 1.00 1.00 C ATOM 0 H ALA A 27 0.875 -10.905 3.818 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.016 -8.305 4.291 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -1.994 -9.465 5.238 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.451 -10.237 3.730 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -1.067 -10.984 5.299 1.00 1.00 H new ATOM 421 N ASP A 28 1.304 -9.760 6.866 1.00 1.00 N ATOM 422 CA ASP A 28 1.713 -9.566 8.256 1.00 1.00 C ATOM 423 C ASP A 28 2.932 -8.650 8.341 1.00 1.00 C ATOM 424 O ASP A 28 3.343 -8.245 9.429 1.00 1.00 O ATOM 425 CB ASP A 28 2.055 -10.915 8.885 1.00 1.00 C ATOM 426 CG ASP A 28 2.116 -10.782 10.405 1.00 1.00 C ATOM 427 OD1 ASP A 28 2.123 -9.659 10.883 1.00 1.00 O ATOM 428 OD2 ASP A 28 2.153 -11.805 11.068 1.00 1.00 O ATOM 0 H ASP A 28 1.727 -10.567 6.407 1.00 1.00 H new ATOM 0 HA ASP A 28 0.886 -9.102 8.794 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.306 -11.656 8.606 1.00 1.00 H new ATOM 0 HB3 ASP A 28 3.012 -11.271 8.504 1.00 1.00 H new ATOM 433 N SER A 29 3.507 -8.328 7.187 1.00 1.00 N ATOM 434 CA SER A 29 4.677 -7.459 7.150 1.00 1.00 C ATOM 435 C SER A 29 4.274 -6.001 7.340 1.00 1.00 C ATOM 436 O SER A 29 3.328 -5.521 6.716 1.00 1.00 O ATOM 437 CB SER A 29 5.399 -7.613 5.812 1.00 1.00 C ATOM 438 OG SER A 29 5.556 -8.993 5.519 1.00 1.00 O ATOM 0 H SER A 29 3.186 -8.652 6.274 1.00 1.00 H new ATOM 0 HA SER A 29 5.343 -7.750 7.963 1.00 1.00 H new ATOM 0 HB2 SER A 29 4.831 -7.124 5.021 1.00 1.00 H new ATOM 0 HB3 SER A 29 6.373 -7.125 5.853 1.00 1.00 H new ATOM 0 HG SER A 29 6.441 -9.145 5.127 1.00 1.00 H new ATOM 444 N GLU A 30 5.007 -5.295 8.197 1.00 1.00 N ATOM 445 CA GLU A 30 4.728 -3.883 8.461 1.00 1.00 C ATOM 446 C GLU A 30 5.566 -3.004 7.544 1.00 1.00 C ATOM 447 O GLU A 30 6.711 -3.325 7.249 1.00 1.00 O ATOM 448 CB GLU A 30 5.044 -3.550 9.919 1.00 1.00 C ATOM 449 CG GLU A 30 4.031 -4.244 10.829 1.00 1.00 C ATOM 450 CD GLU A 30 4.402 -4.022 12.289 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.422 -3.399 12.533 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.657 -4.475 13.143 1.00 1.00 O ATOM 0 H GLU A 30 5.796 -5.674 8.720 1.00 1.00 H new ATOM 0 HA GLU A 30 3.671 -3.694 8.271 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.055 -3.875 10.167 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.009 -2.472 10.073 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.031 -3.855 10.636 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.005 -5.312 10.610 1.00 1.00 H new ATOM 459 N PHE A 31 4.989 -1.897 7.098 1.00 1.00 N ATOM 460 CA PHE A 31 5.696 -0.983 6.207 1.00 1.00 C ATOM 461 C PHE A 31 7.014 -0.533 6.829 1.00 1.00 C ATOM 462 O PHE A 31 8.036 -0.449 6.146 1.00 1.00 O ATOM 463 CB PHE A 31 4.821 0.240 5.918 1.00 1.00 C ATOM 464 CG PHE A 31 3.709 -0.141 4.971 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.985 -0.329 3.608 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.397 -0.308 5.447 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.953 -0.682 2.735 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.373 -0.659 4.567 1.00 1.00 C ATOM 469 CZ PHE A 31 1.651 -0.845 3.213 1.00 1.00 C ATOM 0 H PHE A 31 4.040 -1.610 7.336 1.00 1.00 H new ATOM 0 HA PHE A 31 5.911 -1.507 5.276 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.403 0.628 6.847 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.425 1.036 5.483 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.991 -0.201 3.236 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.181 -0.164 6.495 1.00 1.00 H new ATOM 0 HE1 PHE A 31 3.163 -0.829 1.686 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.365 -0.787 4.934 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.857 -1.116 2.532 1.00 1.00 H new ATOM 479 N SER A 32 6.984 -0.244 8.122 1.00 1.00 N ATOM 480 CA SER A 32 8.184 0.195 8.824 1.00 1.00 C ATOM 481 C SER A 32 9.265 -0.880 8.782 1.00 1.00 C ATOM 482 O SER A 32 10.448 -0.580 8.633 1.00 1.00 O ATOM 483 CB SER A 32 7.847 0.523 10.276 1.00 1.00 C ATOM 484 OG SER A 32 6.879 1.563 10.309 1.00 1.00 O ATOM 0 H SER A 32 6.149 -0.305 8.704 1.00 1.00 H new ATOM 0 HA SER A 32 8.562 1.087 8.325 1.00 1.00 H new ATOM 0 HB2 SER A 32 7.463 -0.363 10.782 1.00 1.00 H new ATOM 0 HB3 SER A 32 8.746 0.830 10.810 1.00 1.00 H new ATOM 0 HG SER A 32 6.659 1.775 11.240 1.00 1.00 H new ATOM 490 N LYS A 33 8.851 -2.133 8.919 1.00 1.00 N ATOM 491 CA LYS A 33 9.792 -3.249 8.901 1.00 1.00 C ATOM 492 C LYS A 33 10.515 -3.336 7.565 1.00 1.00 C ATOM 493 O LYS A 33 11.712 -3.616 7.515 1.00 1.00 O ATOM 494 CB LYS A 33 9.045 -4.558 9.164 1.00 1.00 C ATOM 495 CG LYS A 33 8.590 -4.620 10.631 1.00 1.00 C ATOM 496 CD LYS A 33 9.760 -5.026 11.544 1.00 1.00 C ATOM 497 CE LYS A 33 9.222 -5.456 12.906 1.00 1.00 C ATOM 498 NZ LYS A 33 8.583 -4.291 13.575 1.00 1.00 N ATOM 0 H LYS A 33 7.875 -2.403 9.043 1.00 1.00 H new ATOM 0 HA LYS A 33 10.533 -3.082 9.683 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.181 -4.632 8.504 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.691 -5.406 8.939 1.00 1.00 H new ATOM 0 HG2 LYS A 33 8.202 -3.649 10.938 1.00 1.00 H new ATOM 0 HG3 LYS A 33 7.775 -5.336 10.735 1.00 1.00 H new ATOM 0 HD2 LYS A 33 10.322 -5.842 11.090 1.00 1.00 H new ATOM 0 HD3 LYS A 33 10.450 -4.190 11.662 1.00 1.00 H new ATOM 0 HE2 LYS A 33 8.498 -6.262 12.785 1.00 1.00 H new ATOM 0 HE3 LYS A 33 10.032 -5.845 13.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 8.368 -4.533 14.563 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 9.231 -3.478 13.551 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 7.702 -4.046 13.079 1.00 1.00 H new ATOM 512 N LEU A 34 9.784 -3.101 6.488 1.00 1.00 N ATOM 513 CA LEU A 34 10.368 -3.166 5.157 1.00 1.00 C ATOM 514 C LEU A 34 11.392 -2.059 4.967 1.00 1.00 C ATOM 515 O LEU A 34 12.211 -2.112 4.052 1.00 1.00 O ATOM 516 CB LEU A 34 9.272 -3.039 4.099 1.00 1.00 C ATOM 517 CG LEU A 34 8.196 -4.102 4.342 1.00 1.00 C ATOM 518 CD1 LEU A 34 7.093 -3.964 3.288 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.815 -5.510 4.276 1.00 1.00 C ATOM 0 H LEU A 34 8.792 -2.865 6.507 1.00 1.00 H new ATOM 0 HA LEU A 34 10.868 -4.128 5.047 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.829 -2.044 4.138 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.698 -3.160 3.103 1.00 1.00 H new ATOM 0 HG LEU A 34 7.767 -3.956 5.334 1.00 1.00 H new ATOM 0 HD11 LEU A 34 6.328 -4.720 3.461 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.646 -2.973 3.357 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.520 -4.101 2.294 1.00 1.00 H new ATOM 0 HD21 LEU A 34 8.040 -6.257 4.450 1.00 1.00 H new ATOM 0 HD22 LEU A 34 9.256 -5.668 3.292 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.588 -5.604 5.039 1.00 1.00 H new ATOM 531 N GLY A 35 11.350 -1.061 5.842 1.00 1.00 N ATOM 532 CA GLY A 35 12.285 0.062 5.774 1.00 1.00 C ATOM 533 C GLY A 35 11.580 1.334 5.324 1.00 1.00 C ATOM 534 O GLY A 35 12.165 2.415 5.339 1.00 1.00 O ATOM 0 H GLY A 35 10.679 -1.004 6.608 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.740 0.221 6.752 1.00 1.00 H new ATOM 0 HA3 GLY A 35 13.093 -0.174 5.081 1.00 1.00 H new ATOM 538 N ALA A 36 10.320 1.198 4.925 1.00 1.00 N ATOM 539 CA ALA A 36 9.551 2.349 4.477 1.00 1.00 C ATOM 540 C ALA A 36 9.482 3.402 5.576 1.00 1.00 C ATOM 541 O ALA A 36 8.805 3.213 6.586 1.00 1.00 O ATOM 542 CB ALA A 36 8.135 1.911 4.101 1.00 1.00 C ATOM 0 H ALA A 36 9.816 0.312 4.903 1.00 1.00 H new ATOM 0 HA ALA A 36 10.044 2.779 3.605 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.563 2.777 3.766 1.00 1.00 H new ATOM 0 HB2 ALA A 36 8.183 1.175 3.298 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.648 1.469 4.970 1.00 1.00 H new ATOM 548 N ASP A 37 10.183 4.514 5.370 1.00 1.00 N ATOM 549 CA ASP A 37 10.193 5.601 6.348 1.00 1.00 C ATOM 550 C ASP A 37 9.117 6.625 6.019 1.00 1.00 C ATOM 551 O ASP A 37 8.279 6.403 5.144 1.00 1.00 O ATOM 552 CB ASP A 37 11.561 6.283 6.360 1.00 1.00 C ATOM 553 CG ASP A 37 11.698 7.179 7.585 1.00 1.00 C ATOM 554 OD1 ASP A 37 10.972 6.961 8.540 1.00 1.00 O ATOM 555 OD2 ASP A 37 12.533 8.068 7.552 1.00 1.00 O ATOM 0 H ASP A 37 10.749 4.687 4.539 1.00 1.00 H new ATOM 0 HA ASP A 37 9.990 5.179 7.332 1.00 1.00 H new ATOM 0 HB2 ASP A 37 12.349 5.530 6.362 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.687 6.874 5.453 1.00 1.00 H new ATOM 560 N SER A 38 9.147 7.744 6.727 1.00 1.00 N ATOM 561 CA SER A 38 8.168 8.803 6.509 1.00 1.00 C ATOM 562 C SER A 38 8.253 9.322 5.078 1.00 1.00 C ATOM 563 O SER A 38 7.238 9.501 4.407 1.00 1.00 O ATOM 564 CB SER A 38 8.413 9.952 7.489 1.00 1.00 C ATOM 0 H SER A 38 9.834 7.944 7.454 1.00 1.00 H new ATOM 0 HA SER A 38 7.172 8.393 6.676 1.00 1.00 H new ATOM 569 N LEU A 39 9.475 9.562 4.620 1.00 1.00 N ATOM 570 CA LEU A 39 9.692 10.058 3.268 1.00 1.00 C ATOM 571 C LEU A 39 9.282 9.019 2.233 1.00 1.00 C ATOM 572 O LEU A 39 8.714 9.355 1.197 1.00 1.00 O ATOM 573 CB LEU A 39 11.169 10.415 3.075 1.00 1.00 C ATOM 574 CG LEU A 39 11.533 11.612 3.969 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.056 11.776 4.003 1.00 1.00 C ATOM 576 CD2 LEU A 39 10.883 12.912 3.440 1.00 1.00 C ATOM 0 H LEU A 39 10.327 9.422 5.162 1.00 1.00 H new ATOM 0 HA LEU A 39 9.077 10.947 3.130 1.00 1.00 H new ATOM 0 HB2 LEU A 39 11.796 9.559 3.324 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.361 10.657 2.030 1.00 1.00 H new ATOM 0 HG LEU A 39 11.157 11.423 4.975 1.00 1.00 H new ATOM 0 HD11 LEU A 39 13.317 12.624 4.636 1.00 1.00 H new ATOM 0 HD12 LEU A 39 13.511 10.870 4.404 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.426 11.950 2.993 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.155 13.745 4.089 1.00 1.00 H new ATOM 0 HD22 LEU A 39 11.236 13.110 2.428 1.00 1.00 H new ATOM 0 HD23 LEU A 39 9.799 12.799 3.430 1.00 1.00 H new ATOM 588 N ASP A 40 9.580 7.757 2.519 1.00 1.00 N ATOM 589 CA ASP A 40 9.251 6.676 1.603 1.00 1.00 C ATOM 590 C ASP A 40 7.759 6.403 1.612 1.00 1.00 C ATOM 591 O ASP A 40 7.139 6.295 0.560 1.00 1.00 O ATOM 592 CB ASP A 40 10.012 5.408 2.004 1.00 1.00 C ATOM 593 CG ASP A 40 11.502 5.579 1.721 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.857 6.558 1.084 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.268 4.729 2.145 1.00 1.00 O ATOM 0 H ASP A 40 10.047 7.460 3.375 1.00 1.00 H new ATOM 0 HA ASP A 40 9.544 6.973 0.596 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.856 5.201 3.063 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.625 4.552 1.451 1.00 1.00 H new ATOM 600 N THR A 41 7.189 6.305 2.804 1.00 1.00 N ATOM 601 CA THR A 41 5.765 6.035 2.939 1.00 1.00 C ATOM 602 C THR A 41 4.957 6.942 2.017 1.00 1.00 C ATOM 603 O THR A 41 3.929 6.540 1.470 1.00 1.00 O ATOM 604 CB THR A 41 5.347 6.269 4.398 1.00 1.00 C ATOM 605 OG1 THR A 41 6.058 7.379 4.918 1.00 1.00 O ATOM 606 CG2 THR A 41 5.638 5.021 5.241 1.00 1.00 C ATOM 0 H THR A 41 7.688 6.408 3.688 1.00 1.00 H new ATOM 0 HA THR A 41 5.569 5.000 2.658 1.00 1.00 H new ATOM 0 HB THR A 41 4.277 6.472 4.435 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.166 8.056 4.217 1.00 1.00 H new ATOM 0 HG21 THR A 41 5.337 5.201 6.273 1.00 1.00 H new ATOM 0 HG22 THR A 41 5.079 4.174 4.842 1.00 1.00 H new ATOM 0 HG23 THR A 41 6.705 4.800 5.208 1.00 1.00 H new ATOM 614 N VAL A 42 5.441 8.152 1.842 1.00 1.00 N ATOM 615 CA VAL A 42 4.778 9.115 0.976 1.00 1.00 C ATOM 616 C VAL A 42 4.804 8.621 -0.464 1.00 1.00 C ATOM 617 O VAL A 42 3.837 8.770 -1.194 1.00 1.00 O ATOM 618 CB VAL A 42 5.451 10.494 1.071 1.00 1.00 C ATOM 619 CG1 VAL A 42 5.001 11.384 -0.098 1.00 1.00 C ATOM 620 CG2 VAL A 42 5.045 11.161 2.382 1.00 1.00 C ATOM 0 H VAL A 42 6.292 8.497 2.286 1.00 1.00 H new ATOM 0 HA VAL A 42 3.744 9.217 1.304 1.00 1.00 H new ATOM 0 HB VAL A 42 6.533 10.364 1.031 1.00 1.00 H new ATOM 0 HG11 VAL A 42 5.484 12.358 -0.020 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.280 10.915 -1.041 1.00 1.00 H new ATOM 0 HG13 VAL A 42 3.919 11.512 -0.063 1.00 1.00 H new ATOM 0 HG21 VAL A 42 5.520 12.140 2.455 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.962 11.280 2.409 1.00 1.00 H new ATOM 0 HG23 VAL A 42 5.363 10.540 3.220 1.00 1.00 H new ATOM 630 N GLU A 43 5.929 8.057 -0.867 1.00 1.00 N ATOM 631 CA GLU A 43 6.074 7.563 -2.226 1.00 1.00 C ATOM 632 C GLU A 43 5.172 6.350 -2.465 1.00 1.00 C ATOM 633 O GLU A 43 4.731 6.100 -3.586 1.00 1.00 O ATOM 634 CB GLU A 43 7.549 7.198 -2.491 1.00 1.00 C ATOM 635 CG GLU A 43 8.286 8.381 -3.130 1.00 1.00 C ATOM 636 CD GLU A 43 8.312 9.553 -2.162 1.00 1.00 C ATOM 637 OE1 GLU A 43 7.941 9.355 -1.019 1.00 1.00 O ATOM 638 OE2 GLU A 43 8.698 10.633 -2.578 1.00 1.00 O ATOM 0 H GLU A 43 6.751 7.930 -0.277 1.00 1.00 H new ATOM 0 HA GLU A 43 5.770 8.348 -2.918 1.00 1.00 H new ATOM 0 HB2 GLU A 43 8.035 6.921 -1.556 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.603 6.330 -3.148 1.00 1.00 H new ATOM 0 HG2 GLU A 43 9.304 8.090 -3.391 1.00 1.00 H new ATOM 0 HG3 GLU A 43 7.791 8.673 -4.056 1.00 1.00 H new ATOM 645 N ILE A 44 4.927 5.588 -1.411 1.00 1.00 N ATOM 646 CA ILE A 44 4.099 4.390 -1.521 1.00 1.00 C ATOM 647 C ILE A 44 2.641 4.723 -1.803 1.00 1.00 C ATOM 648 O ILE A 44 2.006 4.108 -2.659 1.00 1.00 O ATOM 649 CB ILE A 44 4.180 3.587 -0.226 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.644 3.310 0.120 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.435 2.273 -0.388 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.357 2.587 -1.032 1.00 1.00 C ATOM 0 H ILE A 44 5.285 5.773 -0.474 1.00 1.00 H new ATOM 0 HA ILE A 44 4.482 3.808 -2.359 1.00 1.00 H new ATOM 0 HB ILE A 44 3.723 4.161 0.580 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.154 4.249 0.335 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.699 2.703 1.024 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.496 1.703 0.539 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.390 2.474 -0.622 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.884 1.697 -1.197 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.396 2.403 -0.758 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.860 1.637 -1.229 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.322 3.207 -1.928 1.00 1.00 H new ATOM 664 N VAL A 45 2.111 5.680 -1.066 1.00 1.00 N ATOM 665 CA VAL A 45 0.718 6.074 -1.239 1.00 1.00 C ATOM 666 C VAL A 45 0.447 6.612 -2.643 1.00 1.00 C ATOM 667 O VAL A 45 -0.513 6.205 -3.293 1.00 1.00 O ATOM 668 CB VAL A 45 0.342 7.142 -0.194 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.426 8.221 -0.128 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.997 7.795 -0.570 1.00 1.00 C ATOM 0 H VAL A 45 2.615 6.198 -0.346 1.00 1.00 H new ATOM 0 HA VAL A 45 0.105 5.184 -1.099 1.00 1.00 H new ATOM 0 HB VAL A 45 0.253 6.659 0.779 1.00 1.00 H new ATOM 0 HG11 VAL A 45 1.149 8.970 0.614 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.376 7.766 0.153 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.526 8.696 -1.104 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -1.256 8.549 0.174 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.910 8.266 -1.549 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -1.777 7.034 -0.602 1.00 1.00 H new ATOM 680 N MET A 46 1.279 7.528 -3.100 1.00 1.00 N ATOM 681 CA MET A 46 1.094 8.115 -4.413 1.00 1.00 C ATOM 682 C MET A 46 1.211 7.064 -5.504 1.00 1.00 C ATOM 683 O MET A 46 0.471 7.100 -6.487 1.00 1.00 O ATOM 684 CB MET A 46 2.121 9.223 -4.635 1.00 1.00 C ATOM 685 CG MET A 46 3.523 8.667 -4.431 1.00 1.00 C ATOM 686 SD MET A 46 4.751 9.952 -4.778 1.00 1.00 S ATOM 687 CE MET A 46 4.271 11.118 -3.485 1.00 1.00 C ATOM 0 H MET A 46 2.086 7.880 -2.585 1.00 1.00 H new ATOM 0 HA MET A 46 0.091 8.539 -4.461 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.022 9.628 -5.642 1.00 1.00 H new ATOM 0 HB3 MET A 46 1.940 10.045 -3.942 1.00 1.00 H new ATOM 0 HG2 MET A 46 3.637 8.310 -3.408 1.00 1.00 H new ATOM 0 HG3 MET A 46 3.684 7.811 -5.087 1.00 1.00 H new ATOM 0 HE1 MET A 46 5.160 11.607 -3.088 1.00 1.00 H new ATOM 0 HE2 MET A 46 3.600 11.868 -3.903 1.00 1.00 H new ATOM 0 HE3 MET A 46 3.763 10.583 -2.683 1.00 1.00 H new ATOM 697 N ASN A 47 2.142 6.133 -5.332 1.00 1.00 N ATOM 698 CA ASN A 47 2.338 5.089 -6.314 1.00 1.00 C ATOM 699 C ASN A 47 1.083 4.236 -6.439 1.00 1.00 C ATOM 700 O ASN A 47 0.662 3.893 -7.544 1.00 1.00 O ATOM 701 CB ASN A 47 3.540 4.216 -5.898 1.00 1.00 C ATOM 702 CG ASN A 47 4.841 4.824 -6.417 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.261 5.957 -5.931 1.00 1.00 O flip ATOM 704 ND2 ASN A 47 5.490 4.249 -7.287 1.00 1.00 N flip ATOM 0 H ASN A 47 2.766 6.085 -4.526 1.00 1.00 H new ATOM 0 HA ASN A 47 2.540 5.542 -7.285 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.578 4.131 -4.812 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.419 3.207 -6.292 1.00 1.00 H new ATOM 0 HD21 ASN A 47 5.160 3.362 -7.667 1.00 1.00 H new ATOM 0 HD22 ASN A 47 6.359 4.659 -7.630 1.00 1.00 H new ATOM 711 N LEU A 48 0.491 3.894 -5.304 1.00 1.00 N ATOM 712 CA LEU A 48 -0.710 3.077 -5.310 1.00 1.00 C ATOM 713 C LEU A 48 -1.896 3.857 -5.858 1.00 1.00 C ATOM 714 O LEU A 48 -2.685 3.341 -6.644 1.00 1.00 O ATOM 715 CB LEU A 48 -1.013 2.598 -3.886 1.00 1.00 C ATOM 716 CG LEU A 48 0.085 1.630 -3.406 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.113 1.602 -1.875 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.201 0.214 -3.918 1.00 1.00 C ATOM 0 H LEU A 48 0.819 4.167 -4.378 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.540 2.216 -5.957 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.075 3.453 -3.212 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -1.983 2.101 -3.860 1.00 1.00 H new ATOM 0 HG LEU A 48 1.045 1.972 -3.792 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.891 0.917 -1.538 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.322 2.603 -1.497 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.854 1.267 -1.499 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.581 -0.462 -3.573 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.166 -0.122 -3.538 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.222 0.219 -5.008 1.00 1.00 H new ATOM 730 N GLU A 49 -2.017 5.101 -5.434 1.00 1.00 N ATOM 731 CA GLU A 49 -3.118 5.937 -5.886 1.00 1.00 C ATOM 732 C GLU A 49 -3.117 6.058 -7.402 1.00 1.00 C ATOM 733 O GLU A 49 -4.171 6.091 -8.037 1.00 1.00 O ATOM 734 CB GLU A 49 -3.006 7.326 -5.255 1.00 1.00 C ATOM 735 CG GLU A 49 -3.361 7.250 -3.767 1.00 1.00 C ATOM 736 CD GLU A 49 -3.035 8.574 -3.084 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.627 9.490 -3.778 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.198 8.651 -1.878 1.00 1.00 O ATOM 0 H GLU A 49 -1.375 5.553 -4.784 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.054 5.472 -5.578 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.993 7.711 -5.378 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.675 8.021 -5.763 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.420 7.022 -3.649 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.806 6.441 -3.293 1.00 1.00 H new ATOM 745 N GLU A 50 -1.927 6.122 -7.972 1.00 1.00 N ATOM 746 CA GLU A 50 -1.791 6.238 -9.419 1.00 1.00 C ATOM 747 C GLU A 50 -2.133 4.916 -10.102 1.00 1.00 C ATOM 748 O GLU A 50 -2.744 4.903 -11.171 1.00 1.00 O ATOM 749 CB GLU A 50 -0.361 6.645 -9.785 1.00 1.00 C ATOM 750 CG GLU A 50 -0.285 7.001 -11.276 1.00 1.00 C ATOM 751 CD GLU A 50 -1.018 8.312 -11.536 1.00 1.00 C ATOM 752 OE1 GLU A 50 -1.431 8.940 -10.574 1.00 1.00 O ATOM 753 OE2 GLU A 50 -1.155 8.672 -12.694 1.00 1.00 O ATOM 0 H GLU A 50 -1.044 6.096 -7.462 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.486 7.004 -9.764 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.051 7.498 -9.182 1.00 1.00 H new ATOM 0 HB3 GLU A 50 0.327 5.830 -9.561 1.00 1.00 H new ATOM 0 HG2 GLU A 50 0.757 7.090 -11.585 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -0.727 6.203 -11.872 1.00 1.00 H new ATOM 760 N GLU A 51 -1.724 3.807 -9.490 1.00 1.00 N ATOM 761 CA GLU A 51 -1.985 2.497 -10.066 1.00 1.00 C ATOM 762 C GLU A 51 -3.470 2.159 -9.999 1.00 1.00 C ATOM 763 O GLU A 51 -4.052 1.688 -10.977 1.00 1.00 O ATOM 764 CB GLU A 51 -1.189 1.434 -9.309 1.00 1.00 C ATOM 765 CG GLU A 51 -1.277 0.098 -10.051 1.00 1.00 C ATOM 766 CD GLU A 51 -0.479 0.172 -11.347 1.00 1.00 C ATOM 767 OE1 GLU A 51 0.214 1.158 -11.538 1.00 1.00 O ATOM 768 OE2 GLU A 51 -0.575 -0.757 -12.132 1.00 1.00 O ATOM 0 H GLU A 51 -1.216 3.792 -8.605 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.679 2.516 -11.112 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.148 1.742 -9.217 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.579 1.325 -8.297 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -0.891 -0.704 -9.421 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.318 -0.140 -10.268 1.00 1.00 H new ATOM 775 N PHE A 52 -4.077 2.395 -8.842 1.00 1.00 N ATOM 776 CA PHE A 52 -5.495 2.104 -8.658 1.00 1.00 C ATOM 777 C PHE A 52 -6.346 3.284 -9.113 1.00 1.00 C ATOM 778 O PHE A 52 -7.572 3.187 -9.181 1.00 1.00 O ATOM 779 CB PHE A 52 -5.768 1.803 -7.182 1.00 1.00 C ATOM 780 CG PHE A 52 -5.243 0.431 -6.833 1.00 1.00 C ATOM 781 CD1 PHE A 52 -3.884 0.257 -6.550 1.00 1.00 C ATOM 782 CD2 PHE A 52 -6.110 -0.665 -6.796 1.00 1.00 C ATOM 783 CE1 PHE A 52 -3.388 -1.004 -6.226 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.617 -1.933 -6.471 1.00 1.00 C ATOM 785 CZ PHE A 52 -4.254 -2.104 -6.187 1.00 1.00 C ATOM 0 H PHE A 52 -3.614 2.785 -8.021 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.758 1.235 -9.261 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.291 2.555 -6.554 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -6.838 1.854 -6.983 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -3.216 1.105 -6.583 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -7.159 -0.533 -7.018 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -2.339 -1.133 -6.006 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -6.286 -2.780 -6.439 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.873 -3.083 -5.938 1.00 1.00 H new ATOM 795 N GLY A 53 -5.691 4.391 -9.441 1.00 1.00 N ATOM 796 CA GLY A 53 -6.402 5.575 -9.905 1.00 1.00 C ATOM 797 C GLY A 53 -7.399 6.065 -8.863 1.00 1.00 C ATOM 798 O GLY A 53 -8.559 6.327 -9.177 1.00 1.00 O ATOM 0 H GLY A 53 -4.677 4.493 -9.395 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.687 6.367 -10.128 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.925 5.347 -10.833 1.00 1.00 H new ATOM 802 N ILE A 54 -6.941 6.184 -7.620 1.00 1.00 N ATOM 803 CA ILE A 54 -7.795 6.643 -6.520 1.00 1.00 C ATOM 804 C ILE A 54 -7.152 7.823 -5.805 1.00 1.00 C ATOM 805 O ILE A 54 -6.195 8.415 -6.302 1.00 1.00 O ATOM 806 CB ILE A 54 -8.034 5.504 -5.529 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.689 4.985 -5.010 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.786 4.365 -6.228 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.915 3.990 -3.867 1.00 1.00 C ATOM 0 H ILE A 54 -5.982 5.969 -7.345 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.751 6.962 -6.935 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.628 5.872 -4.692 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.140 4.503 -5.819 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.078 5.818 -4.662 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.956 3.553 -5.521 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.744 4.733 -6.595 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.193 3.998 -7.066 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.953 3.627 -3.505 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.446 4.485 -3.053 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.507 3.149 -4.228 1.00 1.00 H new ATOM 821 N ASN A 55 -7.686 8.162 -4.638 1.00 1.00 N ATOM 822 CA ASN A 55 -7.160 9.277 -3.856 1.00 1.00 C ATOM 823 C ASN A 55 -7.364 9.026 -2.370 1.00 1.00 C ATOM 824 O ASN A 55 -8.496 8.921 -1.901 1.00 1.00 O ATOM 825 CB ASN A 55 -7.871 10.569 -4.255 1.00 1.00 C ATOM 826 CG ASN A 55 -9.370 10.438 -4.004 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.845 10.725 -2.905 1.00 1.00 O ATOM 828 ND2 ASN A 55 -10.148 10.014 -4.963 1.00 1.00 N ATOM 0 H ASN A 55 -8.480 7.684 -4.212 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.093 9.369 -4.057 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.470 11.406 -3.683 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.688 10.785 -5.308 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -11.151 9.920 -4.802 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.753 9.777 -5.873 1.00 1.00 H new ATOM 835 N VAL A 56 -6.258 8.930 -1.631 1.00 1.00 N ATOM 836 CA VAL A 56 -6.316 8.691 -0.187 1.00 1.00 C ATOM 837 C VAL A 56 -5.489 9.736 0.558 1.00 1.00 C ATOM 838 O VAL A 56 -4.336 9.996 0.210 1.00 1.00 O ATOM 839 CB VAL A 56 -5.784 7.291 0.133 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.652 7.124 1.651 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.756 6.241 -0.417 1.00 1.00 C ATOM 0 H VAL A 56 -5.313 9.014 -2.007 1.00 1.00 H new ATOM 0 HA VAL A 56 -7.354 8.765 0.136 1.00 1.00 H new ATOM 0 HB VAL A 56 -4.805 7.160 -0.329 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.273 6.127 1.876 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -4.961 7.871 2.040 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -6.628 7.255 2.118 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.380 5.243 -0.191 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -7.734 6.373 0.045 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -6.846 6.359 -1.497 1.00 1.00 H new ATOM 851 N ASP A 57 -6.086 10.325 1.586 1.00 1.00 N ATOM 852 CA ASP A 57 -5.402 11.334 2.383 1.00 1.00 C ATOM 853 C ASP A 57 -4.365 10.680 3.289 1.00 1.00 C ATOM 854 O ASP A 57 -4.545 9.547 3.737 1.00 1.00 O ATOM 855 CB ASP A 57 -6.412 12.106 3.232 1.00 1.00 C ATOM 856 CG ASP A 57 -7.256 13.011 2.342 1.00 1.00 C ATOM 857 OD1 ASP A 57 -6.880 13.200 1.196 1.00 1.00 O ATOM 858 OD2 ASP A 57 -8.266 13.504 2.818 1.00 1.00 O ATOM 0 H ASP A 57 -7.039 10.122 1.887 1.00 1.00 H new ATOM 0 HA ASP A 57 -4.898 12.025 1.708 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -7.055 11.410 3.771 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -5.890 12.702 3.981 1.00 1.00 H new ATOM 863 N GLU A 58 -3.280 11.399 3.555 1.00 1.00 N ATOM 864 CA GLU A 58 -2.220 10.879 4.411 1.00 1.00 C ATOM 865 C GLU A 58 -2.743 10.635 5.823 1.00 1.00 C ATOM 866 O GLU A 58 -2.349 9.674 6.485 1.00 1.00 O ATOM 867 CB GLU A 58 -1.056 11.870 4.459 1.00 1.00 C ATOM 868 CG GLU A 58 -0.380 11.932 3.088 1.00 1.00 C ATOM 869 CD GLU A 58 0.727 12.982 3.100 1.00 1.00 C ATOM 870 OE1 GLU A 58 0.925 13.594 4.136 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.359 13.158 2.071 1.00 1.00 O ATOM 0 H GLU A 58 -3.112 12.338 3.193 1.00 1.00 H new ATOM 0 HA GLU A 58 -1.874 9.932 3.996 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -1.418 12.858 4.743 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.336 11.564 5.218 1.00 1.00 H new ATOM 0 HG2 GLU A 58 0.035 10.957 2.833 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -1.115 12.175 2.321 1.00 1.00 H new ATOM 878 N ASP A 59 -3.635 11.510 6.278 1.00 1.00 N ATOM 879 CA ASP A 59 -4.210 11.377 7.612 1.00 1.00 C ATOM 880 C ASP A 59 -5.005 10.080 7.726 1.00 1.00 C ATOM 881 O ASP A 59 -4.952 9.396 8.746 1.00 1.00 O ATOM 882 CB ASP A 59 -5.123 12.570 7.909 1.00 1.00 C ATOM 883 CG ASP A 59 -4.290 13.821 8.175 1.00 1.00 C ATOM 884 OD1 ASP A 59 -3.100 13.683 8.407 1.00 1.00 O ATOM 885 OD2 ASP A 59 -4.857 14.901 8.142 1.00 1.00 O ATOM 0 H ASP A 59 -3.973 12.313 5.747 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.397 11.354 8.338 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -5.792 12.743 7.066 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -5.749 12.351 8.774 1.00 1.00 H new ATOM 890 N LYS A 60 -5.745 9.747 6.674 1.00 1.00 N ATOM 891 CA LYS A 60 -6.540 8.527 6.668 1.00 1.00 C ATOM 892 C LYS A 60 -5.644 7.296 6.681 1.00 1.00 C ATOM 893 O LYS A 60 -5.943 6.303 7.346 1.00 1.00 O ATOM 894 CB LYS A 60 -7.444 8.496 5.441 1.00 1.00 C ATOM 895 CG LYS A 60 -8.538 9.555 5.589 1.00 1.00 C ATOM 896 CD LYS A 60 -9.444 9.519 4.359 1.00 1.00 C ATOM 897 CE LYS A 60 -10.558 10.557 4.511 1.00 1.00 C ATOM 898 NZ LYS A 60 -11.413 10.555 3.291 1.00 1.00 N ATOM 0 H LYS A 60 -5.810 10.301 5.820 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.155 8.517 7.568 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -6.860 8.684 4.540 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -7.891 7.508 5.330 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.122 9.368 6.491 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.091 10.543 5.697 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -8.862 9.724 3.460 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.874 8.524 4.240 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.161 10.332 5.390 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -10.128 11.547 4.664 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.169 11.261 3.396 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -10.833 10.790 2.460 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.834 9.613 3.164 1.00 1.00 H new ATOM 912 N ALA A 61 -4.553 7.365 5.928 1.00 1.00 N ATOM 913 CA ALA A 61 -3.628 6.245 5.846 1.00 1.00 C ATOM 914 C ALA A 61 -2.827 6.094 7.139 1.00 1.00 C ATOM 915 O ALA A 61 -1.794 5.424 7.168 1.00 1.00 O ATOM 916 CB ALA A 61 -2.669 6.439 4.674 1.00 1.00 C ATOM 0 H ALA A 61 -4.290 8.178 5.371 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.214 5.339 5.693 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -1.982 5.595 4.623 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.237 6.501 3.746 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.103 7.360 4.816 1.00 1.00 H new ATOM 922 N GLN A 62 -3.308 6.725 8.202 1.00 1.00 N ATOM 923 CA GLN A 62 -2.634 6.659 9.497 1.00 1.00 C ATOM 924 C GLN A 62 -2.922 5.332 10.194 1.00 1.00 C ATOM 925 O GLN A 62 -2.042 4.748 10.824 1.00 1.00 O ATOM 926 CB GLN A 62 -3.096 7.817 10.384 1.00 1.00 C ATOM 927 CG GLN A 62 -2.477 9.126 9.882 1.00 1.00 C ATOM 928 CD GLN A 62 -0.981 9.140 10.173 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.563 8.814 11.284 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.146 9.502 9.239 1.00 1.00 N ATOM 0 H GLN A 62 -4.159 7.287 8.196 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.560 6.735 9.328 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.184 7.888 10.370 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -2.802 7.637 11.418 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -2.649 9.232 8.811 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -2.958 9.975 10.367 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.495 9.772 8.319 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.856 9.515 9.428 1.00 1.00 H new ATOM 939 N ASP A 63 -4.158 4.867 10.078 1.00 1.00 N ATOM 940 CA ASP A 63 -4.554 3.613 10.703 1.00 1.00 C ATOM 941 C ASP A 63 -3.827 2.435 10.064 1.00 1.00 C ATOM 942 O ASP A 63 -3.763 1.347 10.633 1.00 1.00 O ATOM 943 CB ASP A 63 -6.060 3.415 10.564 1.00 1.00 C ATOM 944 CG ASP A 63 -6.474 3.531 9.103 1.00 1.00 C ATOM 945 OD1 ASP A 63 -5.617 3.834 8.288 1.00 1.00 O ATOM 946 OD2 ASP A 63 -7.640 3.320 8.821 1.00 1.00 O ATOM 0 H ASP A 63 -4.900 5.336 9.560 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.286 3.659 11.759 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.343 2.437 10.953 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.588 4.160 11.159 1.00 1.00 H new ATOM 951 N ILE A 64 -3.286 2.664 8.877 1.00 1.00 N ATOM 952 CA ILE A 64 -2.564 1.615 8.160 1.00 1.00 C ATOM 953 C ILE A 64 -1.297 1.237 8.911 1.00 1.00 C ATOM 954 O ILE A 64 -0.492 2.100 9.264 1.00 1.00 O ATOM 955 CB ILE A 64 -2.186 2.104 6.761 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.453 2.556 6.034 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.514 0.978 5.978 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.469 1.413 5.911 1.00 1.00 C ATOM 0 H ILE A 64 -3.330 3.559 8.390 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.213 0.742 8.083 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.489 2.938 6.841 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.905 3.389 6.572 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.193 2.921 5.041 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.248 1.335 4.983 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.613 0.658 6.501 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.201 0.136 5.890 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.357 1.770 5.389 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.025 0.590 5.351 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.748 1.065 6.906 1.00 1.00 H new ATOM 970 N SER A 65 -1.127 -0.060 9.149 1.00 1.00 N ATOM 971 CA SER A 65 0.048 -0.564 9.861 1.00 1.00 C ATOM 972 C SER A 65 0.674 -1.724 9.099 1.00 1.00 C ATOM 973 O SER A 65 1.860 -2.004 9.250 1.00 1.00 O ATOM 974 CB SER A 65 -0.355 -1.031 11.260 1.00 1.00 C ATOM 975 OG SER A 65 -1.032 0.026 11.928 1.00 1.00 O ATOM 0 H SER A 65 -1.786 -0.783 8.860 1.00 1.00 H new ATOM 0 HA SER A 65 0.778 0.241 9.941 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.000 -1.907 11.192 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.528 -1.328 11.826 1.00 1.00 H new ATOM 0 HG SER A 65 -1.294 -0.269 12.825 1.00 1.00 H new ATOM 981 N THR A 66 -0.130 -2.394 8.272 1.00 1.00 N ATOM 982 CA THR A 66 0.352 -3.530 7.482 1.00 1.00 C ATOM 983 C THR A 66 -0.136 -3.423 6.046 1.00 1.00 C ATOM 984 O THR A 66 -0.948 -2.559 5.718 1.00 1.00 O ATOM 985 CB THR A 66 -0.143 -4.846 8.089 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.550 -4.939 7.933 1.00 1.00 O ATOM 987 CG2 THR A 66 0.211 -4.899 9.576 1.00 1.00 C ATOM 0 H THR A 66 -1.115 -2.171 8.131 1.00 1.00 H new ATOM 0 HA THR A 66 1.442 -3.515 7.492 1.00 1.00 H new ATOM 0 HB THR A 66 0.337 -5.680 7.577 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.960 -5.168 8.793 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.144 -5.838 10.001 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.292 -4.833 9.695 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.263 -4.064 10.093 1.00 1.00 H new ATOM 995 N ILE A 67 0.367 -4.304 5.193 1.00 1.00 N ATOM 996 CA ILE A 67 -0.018 -4.294 3.788 1.00 1.00 C ATOM 997 C ILE A 67 -1.503 -4.565 3.639 1.00 1.00 C ATOM 998 O ILE A 67 -2.183 -3.909 2.852 1.00 1.00 O ATOM 999 CB ILE A 67 0.783 -5.350 3.017 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.301 -5.092 3.173 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.383 -5.333 1.539 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.780 -4.032 2.160 1.00 1.00 C ATOM 0 H ILE A 67 1.038 -5.030 5.446 1.00 1.00 H new ATOM 0 HA ILE A 67 0.199 -3.308 3.378 1.00 1.00 H new ATOM 0 HB ILE A 67 0.559 -6.334 3.428 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.516 -4.756 4.187 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.850 -6.021 3.022 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.956 -6.086 0.998 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.681 -5.552 1.447 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.588 -4.349 1.118 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.850 -3.865 2.286 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.585 -4.383 1.147 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.245 -3.098 2.330 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.004 -5.532 4.387 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.417 -5.872 4.314 1.00 1.00 C ATOM 1016 C GLN A 68 -4.279 -4.647 4.612 1.00 1.00 C ATOM 1017 O GLN A 68 -5.262 -4.383 3.919 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.727 -7.006 5.327 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.109 -8.290 4.591 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.475 -8.111 3.938 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.585 -8.196 2.643 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.467 -7.870 4.627 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.462 -6.091 5.046 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.649 -6.214 3.306 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.857 -7.186 5.958 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.540 -6.701 5.986 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.360 -8.526 3.835 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.133 -9.128 5.287 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.380 -7.804 5.641 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.376 -7.737 4.184 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.904 -3.906 5.644 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.659 -2.725 6.020 1.00 1.00 C ATOM 1033 C GLN A 69 -4.729 -1.759 4.848 1.00 1.00 C ATOM 1034 O GLN A 69 -5.774 -1.162 4.586 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.009 -2.041 7.229 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.122 -2.957 8.450 1.00 1.00 C ATOM 1037 CD GLN A 69 -3.506 -2.277 9.666 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -3.252 -1.074 9.640 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -3.245 -2.979 10.733 1.00 1.00 N ATOM 0 H GLN A 69 -3.091 -4.100 6.229 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.671 -3.026 6.292 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.962 -1.824 7.019 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.498 -1.088 7.429 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -5.169 -3.191 8.644 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.615 -3.902 8.255 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -3.457 -3.977 10.752 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -2.829 -2.531 11.549 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.610 -1.607 4.144 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.561 -0.708 2.998 1.00 1.00 C ATOM 1050 C ALA A 70 -4.457 -1.224 1.875 1.00 1.00 C ATOM 1051 O ALA A 70 -5.137 -0.449 1.202 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.120 -0.583 2.493 1.00 1.00 C ATOM 0 H ALA A 70 -2.734 -2.090 4.345 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.920 0.272 3.311 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.092 0.091 1.636 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.489 -0.186 3.288 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.753 -1.565 2.195 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.451 -2.540 1.680 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.265 -3.152 0.636 1.00 1.00 C ATOM 1060 C ALA A 71 -6.748 -3.033 0.966 1.00 1.00 C ATOM 1061 O ALA A 71 -7.576 -2.826 0.080 1.00 1.00 O ATOM 1062 CB ALA A 71 -4.890 -4.624 0.475 1.00 1.00 C ATOM 0 H ALA A 71 -3.896 -3.198 2.227 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.073 -2.625 -0.299 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.503 -5.072 -0.307 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -3.838 -4.704 0.201 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.061 -5.148 1.415 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.076 -3.172 2.247 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.464 -3.084 2.688 1.00 1.00 C ATOM 1070 C ASP A 72 -9.038 -1.702 2.386 1.00 1.00 C ATOM 1071 O ASP A 72 -10.173 -1.571 1.930 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.549 -3.357 4.190 1.00 1.00 C ATOM 1073 CG ASP A 72 -8.296 -4.835 4.469 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -8.365 -5.617 3.534 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.039 -5.166 5.615 1.00 1.00 O ATOM 0 H ASP A 72 -6.404 -3.345 2.994 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.046 -3.830 2.148 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.817 -2.748 4.720 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.532 -3.071 4.564 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.248 -0.672 2.646 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.686 0.693 2.388 1.00 1.00 C ATOM 1082 C VAL A 73 -8.786 0.949 0.888 1.00 1.00 C ATOM 1083 O VAL A 73 -9.742 1.563 0.416 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.710 1.689 3.017 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.090 3.115 2.609 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.760 1.562 4.541 1.00 1.00 C ATOM 0 H VAL A 73 -7.307 -0.752 3.032 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.671 0.826 2.834 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.701 1.472 2.667 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.392 3.821 3.060 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.048 3.206 1.524 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.101 3.335 2.953 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.064 2.272 4.988 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.770 1.774 4.891 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.481 0.549 4.831 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.784 0.489 0.148 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.767 0.694 -1.295 1.00 1.00 C ATOM 1098 C ILE A 74 -8.894 -0.071 -1.976 1.00 1.00 C ATOM 1099 O ILE A 74 -9.758 0.527 -2.609 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.425 0.223 -1.870 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.306 1.141 -1.377 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.470 0.254 -3.403 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -3.950 0.481 -1.643 1.00 1.00 C ATOM 0 H ILE A 74 -6.982 -0.022 0.517 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.905 1.759 -1.483 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.235 -0.798 -1.538 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.360 2.104 -1.886 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.424 1.337 -0.311 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.513 -0.082 -3.802 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.262 -0.405 -3.757 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.667 1.272 -3.741 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.152 1.135 -1.292 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -3.899 -0.471 -1.114 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.833 0.308 -2.713 1.00 1.00 H new ATOM 1115 N GLU A 75 -8.883 -1.389 -1.839 1.00 1.00 N ATOM 1116 CA GLU A 75 -9.907 -2.219 -2.461 1.00 1.00 C ATOM 1117 C GLU A 75 -11.299 -1.676 -2.159 1.00 1.00 C ATOM 1118 O GLU A 75 -12.200 -1.758 -2.992 1.00 1.00 O ATOM 1119 CB GLU A 75 -9.785 -3.658 -1.944 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.240 -3.728 -0.474 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.760 -3.852 -0.385 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.329 -4.546 -1.211 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.332 -3.254 0.513 1.00 1.00 O ATOM 0 H GLU A 75 -8.182 -1.905 -1.307 1.00 1.00 H new ATOM 0 HA GLU A 75 -9.760 -2.205 -3.541 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.393 -4.326 -2.554 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -8.753 -3.999 -2.031 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -9.771 -4.581 0.017 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -9.911 -2.834 0.057 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.466 -1.122 -0.965 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.755 -0.575 -0.566 1.00 1.00 C ATOM 1132 C GLY A 76 -13.196 0.529 -1.523 1.00 1.00 C ATOM 1133 O GLY A 76 -14.369 0.614 -1.889 1.00 1.00 O ATOM 0 H GLY A 76 -10.732 -1.040 -0.262 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.502 -1.368 -0.550 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.689 -0.179 0.447 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.250 1.369 -1.922 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.549 2.464 -2.839 1.00 1.00 C ATOM 1139 C LEU A 77 -12.994 1.927 -4.191 1.00 1.00 C ATOM 1140 O LEU A 77 -13.917 2.456 -4.807 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.312 3.346 -3.006 1.00 1.00 C ATOM 1142 CG LEU A 77 -11.033 4.092 -1.689 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.614 4.662 -1.721 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -12.039 5.248 -1.488 1.00 1.00 C ATOM 0 H LEU A 77 -11.275 1.315 -1.628 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.363 3.057 -2.422 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.451 2.736 -3.280 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.468 4.060 -3.815 1.00 1.00 H new ATOM 0 HG LEU A 77 -11.139 3.389 -0.863 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.413 5.191 -0.789 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.898 3.849 -1.838 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.518 5.353 -2.559 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.822 5.760 -0.551 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.953 5.953 -2.315 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -13.052 4.847 -1.456 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.330 0.876 -4.649 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.660 0.279 -5.935 1.00 1.00 C ATOM 1158 C LEU A 78 -14.093 -0.239 -5.929 1.00 1.00 C ATOM 1159 O LEU A 78 -14.817 -0.096 -6.911 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.687 -0.871 -6.230 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.373 -0.309 -6.800 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.594 0.278 -8.218 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -9.842 0.781 -5.860 1.00 1.00 C ATOM 0 H LEU A 78 -11.564 0.421 -4.153 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.571 1.038 -6.712 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.487 -1.433 -5.318 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.135 -1.565 -6.941 1.00 1.00 H new ATOM 0 HG LEU A 78 -9.646 -1.118 -6.877 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.651 0.669 -8.601 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.959 -0.505 -8.883 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.328 1.083 -8.168 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.911 1.183 -6.259 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.578 1.581 -5.779 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.660 0.354 -4.874 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.493 -0.840 -4.820 1.00 1.00 N ATOM 1176 CA GLU A 79 -15.840 -1.375 -4.707 1.00 1.00 C ATOM 1177 C GLU A 79 -16.874 -0.292 -4.994 1.00 1.00 C ATOM 1178 O GLU A 79 -17.939 -0.569 -5.546 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.059 -1.926 -3.303 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.221 -3.192 -3.108 1.00 1.00 C ATOM 1181 CD GLU A 79 -15.365 -3.703 -1.679 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.123 -3.107 -0.930 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -14.716 -4.683 -1.352 1.00 1.00 O ATOM 0 H GLU A 79 -13.911 -0.969 -3.993 1.00 1.00 H new ATOM 0 HA GLU A 79 -15.957 -2.175 -5.438 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -15.782 -1.177 -2.561 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.115 -2.150 -3.151 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -15.541 -3.961 -3.811 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -14.174 -2.980 -3.323 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.551 0.939 -4.619 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.458 2.058 -4.842 1.00 1.00 C ATOM 1192 C LYS A 80 -17.715 2.249 -6.334 1.00 1.00 C ATOM 1193 O LYS A 80 -18.789 2.694 -6.738 1.00 1.00 O ATOM 1194 CB LYS A 80 -16.863 3.341 -4.257 1.00 1.00 C ATOM 1195 CG LYS A 80 -17.888 4.473 -4.360 1.00 1.00 C ATOM 1196 CD LYS A 80 -17.313 5.742 -3.728 1.00 1.00 C ATOM 1197 CE LYS A 80 -18.332 6.878 -3.844 1.00 1.00 C ATOM 1198 NZ LYS A 80 -19.562 6.523 -3.081 1.00 1.00 N ATOM 0 H LYS A 80 -15.674 1.187 -4.162 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.403 1.838 -4.346 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -16.584 3.183 -3.215 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -15.953 3.610 -4.794 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -18.139 4.656 -5.405 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -18.811 4.189 -3.855 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -17.071 5.562 -2.681 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -16.384 6.020 -4.226 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -17.906 7.804 -3.457 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -18.579 7.054 -4.891 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -20.101 7.387 -2.870 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -20.149 5.879 -3.649 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -19.296 6.055 -2.191 1.00 1.00 H new ATOM 1212 N LYS A 81 -16.718 1.916 -7.149 1.00 1.00 N ATOM 1213 CA LYS A 81 -16.846 2.062 -8.594 1.00 1.00 C ATOM 1214 C LYS A 81 -17.783 0.997 -9.159 1.00 1.00 C ATOM 1215 O LYS A 81 -18.458 0.290 -8.411 1.00 1.00 O ATOM 1216 CB LYS A 81 -15.473 1.928 -9.252 1.00 1.00 C ATOM 1217 CG LYS A 81 -14.496 2.897 -8.585 1.00 1.00 C ATOM 1218 CD LYS A 81 -13.132 2.802 -9.272 1.00 1.00 C ATOM 1219 CE LYS A 81 -12.136 3.724 -8.567 1.00 1.00 C ATOM 1220 NZ LYS A 81 -12.534 5.143 -8.783 1.00 1.00 N ATOM 0 H LYS A 81 -15.820 1.546 -6.836 1.00 1.00 H new ATOM 0 HA LYS A 81 -17.261 3.048 -8.806 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -15.110 0.905 -9.157 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -15.545 2.143 -10.318 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -14.877 3.916 -8.650 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -14.399 2.660 -7.526 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -12.772 1.774 -9.246 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -13.222 3.082 -10.322 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -12.110 3.501 -7.500 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -11.131 3.554 -8.953 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -11.736 5.767 -8.548 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -12.800 5.281 -9.779 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -13.344 5.373 -8.173 1.00 1.00 H new ATOM 1234 N ALA A 82 -17.818 0.889 -10.484 1.00 1.00 N ATOM 1235 CA ALA A 82 -18.675 -0.093 -11.139 1.00 1.00 C ATOM 1236 C ALA A 82 -18.412 -1.491 -10.585 1.00 1.00 C ATOM 1237 O ALA A 82 -19.349 -2.096 -10.091 1.00 1.00 O ATOM 1238 CB ALA A 82 -18.422 -0.083 -12.647 1.00 1.00 C ATOM 1239 OXT ALA A 82 -17.279 -1.933 -10.664 1.00 1.00 O ATOM 0 H ALA A 82 -17.267 1.465 -11.121 1.00 1.00 H new ATOM 0 HA ALA A 82 -19.714 0.172 -10.943 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -19.066 -0.819 -13.129 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -18.641 0.907 -13.046 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -17.379 -0.330 -12.843 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 7.410 10.939 7.313 1.00 1.00 O HETATM 1247 P24 PNS A 101 7.675 12.462 7.762 1.00 1.00 P HETATM 1248 O25 PNS A 101 8.533 12.450 8.968 1.00 1.00 O HETATM 1249 O26 PNS A 101 8.088 13.230 6.567 1.00 1.00 O HETATM 1250 O27 PNS A 101 6.205 12.961 8.190 1.00 1.00 O HETATM 1251 C28 PNS A 101 5.139 12.989 7.247 1.00 1.00 C HETATM 1252 C29 PNS A 101 4.435 14.351 7.319 1.00 1.00 C HETATM 1253 C30 PNS A 101 3.548 14.536 6.092 1.00 1.00 C HETATM 1254 C31 PNS A 101 5.492 15.463 7.371 1.00 1.00 C HETATM 1255 C32 PNS A 101 3.552 14.413 8.560 1.00 1.00 C HETATM 1256 O33 PNS A 101 2.521 13.455 8.420 1.00 1.00 O HETATM 1257 C34 PNS A 101 4.377 14.103 9.809 1.00 1.00 C HETATM 1258 O35 PNS A 101 5.080 14.967 10.331 1.00 1.00 O HETATM 1259 N36 PNS A 101 4.290 12.863 10.278 1.00 1.00 N HETATM 1260 C37 PNS A 101 5.037 12.448 11.462 1.00 1.00 C HETATM 1261 C38 PNS A 101 4.379 11.220 12.101 1.00 1.00 C HETATM 1262 C39 PNS A 101 3.838 10.293 11.017 1.00 1.00 C HETATM 1263 O40 PNS A 101 3.159 10.734 10.091 1.00 1.00 O HETATM 1264 N41 PNS A 101 4.144 9.006 11.140 1.00 1.00 N HETATM 1265 C42 PNS A 101 3.681 8.026 10.164 1.00 1.00 C HETATM 1266 C43 PNS A 101 4.229 6.640 10.506 1.00 1.00 C HETATM 1267 S44 PNS A 101 4.037 5.558 9.092 1.00 1.00 S HETATM 0 H432 PNS A 101 5.281 6.711 10.783 1.00 1.00 H new HETATM 0 H431 PNS A 101 3.700 6.230 11.366 1.00 1.00 H new HETATM 0 H422 PNS A 101 4.005 8.317 9.165 1.00 1.00 H new HETATM 0 H421 PNS A 101 2.591 8.001 10.152 1.00 1.00 H new HETATM 0 H382 PNS A 101 3.569 11.533 12.760 1.00 1.00 H new HETATM 0 H381 PNS A 101 5.104 10.688 12.717 1.00 1.00 H new HETATM 0 H372 PNS A 101 5.074 13.265 12.182 1.00 1.00 H new HETATM 0 H371 PNS A 101 6.066 12.217 11.189 1.00 1.00 H new HETATM 0 H313 PNS A 101 4.997 16.433 7.422 1.00 1.00 H new HETATM 0 H312 PNS A 101 6.111 15.418 6.475 1.00 1.00 H new HETATM 0 H311 PNS A 101 6.119 15.328 8.253 1.00 1.00 H new HETATM 0 H303 PNS A 101 3.050 15.504 6.146 1.00 1.00 H new HETATM 0 H302 PNS A 101 2.800 13.744 6.061 1.00 1.00 H new HETATM 0 H301 PNS A 101 4.160 14.493 5.191 1.00 1.00 H new HETATM 0 H282 PNS A 101 4.430 12.188 7.458 1.00 1.00 H new HETATM 0 H281 PNS A 101 5.523 12.818 6.241 1.00 1.00 H new HETATM 0 H41 PNS A 101 4.712 8.698 11.930 1.00 1.00 H new HETATM 0 H36 PNS A 101 3.690 12.189 9.802 1.00 1.00 H new HETATM 0 H33 PNS A 101 1.943 13.479 9.211 1.00 1.00 H new HETATM 0 H32 PNS A 101 3.129 15.412 8.664 1.00 1.00 H new HETATM 1288 C1 DKA A 102 3.145 4.091 9.370 1.00 1.00 C HETATM 1289 O1 DKA A 102 2.671 3.796 10.443 1.00 1.00 O HETATM 1290 C2 DKA A 102 3.043 3.259 8.127 1.00 1.00 C HETATM 1291 C3 DKA A 102 2.233 4.004 7.066 1.00 1.00 C HETATM 1292 C4 DKA A 102 2.117 3.136 5.815 1.00 1.00 C HETATM 1293 C5 DKA A 102 1.546 3.971 4.672 1.00 1.00 C HETATM 1294 C6 DKA A 102 1.621 3.174 3.366 1.00 1.00 C HETATM 1295 C7 DKA A 102 0.728 3.833 2.294 1.00 1.00 C HETATM 1296 C8 DKA A 102 -0.701 3.290 2.398 1.00 1.00 C HETATM 1297 C9 DKA A 102 -1.576 3.950 1.336 1.00 1.00 C HETATM 1298 C10 DKA A 102 -2.971 3.328 1.376 1.00 1.00 C HETATM 0 H103 DKA A 102 -2.898 2.259 1.177 1.00 1.00 H new HETATM 0 H102 DKA A 102 -3.411 3.485 2.361 1.00 1.00 H new HETATM 0 H101 DKA A 102 -3.600 3.796 0.619 1.00 1.00 H new HETATM 0 H92 DKA A 102 -1.638 5.023 1.515 1.00 1.00 H new HETATM 0 H91 DKA A 102 -1.134 3.816 0.349 1.00 1.00 H new HETATM 0 H82 DKA A 102 -0.701 2.208 2.263 1.00 1.00 H new HETATM 0 H81 DKA A 102 -1.105 3.487 3.391 1.00 1.00 H new HETATM 0 H72 DKA A 102 0.725 4.915 2.426 1.00 1.00 H new HETATM 0 H71 DKA A 102 1.130 3.634 1.301 1.00 1.00 H new HETATM 0 H62 DKA A 102 2.652 3.130 3.016 1.00 1.00 H new HETATM 0 H61 DKA A 102 1.299 2.147 3.538 1.00 1.00 H new HETATM 0 H52 DKA A 102 0.512 4.240 4.886 1.00 1.00 H new HETATM 0 H51 DKA A 102 2.104 4.902 4.574 1.00 1.00 H new HETATM 0 H42 DKA A 102 3.095 2.743 5.540 1.00 1.00 H new HETATM 0 H41 DKA A 102 1.473 2.279 6.012 1.00 1.00 H new HETATM 0 H32 DKA A 102 1.241 4.242 7.450 1.00 1.00 H new HETATM 0 H31 DKA A 102 2.716 4.950 6.822 1.00 1.00 H new HETATM 0 H22 DKA A 102 4.039 3.036 7.746 1.00 1.00 H new HETATM 0 H21 DKA A 102 2.568 2.305 8.356 1.00 1.00 H new