USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc=-0.00776 X(o=-0.0078,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0396 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= -0.783 (180deg=-1.35) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00801 X(o=-0.008,f=0) USER MOD Single : A 37 TYR OH : rot 120:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.46 K(o=-1.5,f=-4.5!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 52 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.039) USER MOD Single : A 53 SER OG : rot 130:sc= -0.803 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0.00134 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.049) USER MOD Single : A 61 GLN : amide:sc= -0.349 K(o=-0.35,f=-3.1!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.147 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -1.367 -12.904 0.390 1.00 0.00 N ATOM 20 CA ALA A 3 -1.695 -12.901 -1.025 1.00 0.00 C ATOM 21 C ALA A 3 -0.402 -12.897 -1.843 1.00 0.00 C ATOM 22 O ALA A 3 -0.246 -13.693 -2.768 1.00 0.00 O ATOM 23 CB ALA A 3 -2.588 -11.699 -1.341 1.00 0.00 C ATOM 0 HA ALA A 3 -2.252 -13.799 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.834 -11.697 -2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.506 -11.764 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.062 -10.778 -1.089 1.00 0.00 H new ATOM 29 N GLY A 4 0.492 -11.993 -1.474 1.00 0.00 N ATOM 30 CA GLY A 4 1.766 -11.875 -2.162 1.00 0.00 C ATOM 31 C GLY A 4 2.425 -10.525 -1.868 1.00 0.00 C ATOM 32 O GLY A 4 2.075 -9.858 -0.896 1.00 0.00 O ATOM 0 H GLY A 4 0.359 -11.334 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.428 -12.683 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.615 -11.984 -3.236 1.00 0.00 H new ATOM 36 N LYS A 5 3.367 -10.164 -2.726 1.00 0.00 N ATOM 37 CA LYS A 5 4.078 -8.906 -2.573 1.00 0.00 C ATOM 38 C LYS A 5 3.447 -7.852 -3.485 1.00 0.00 C ATOM 39 O LYS A 5 3.521 -7.961 -4.707 1.00 0.00 O ATOM 40 CB LYS A 5 5.576 -9.105 -2.807 1.00 0.00 C ATOM 41 CG LYS A 5 6.227 -9.825 -1.624 1.00 0.00 C ATOM 42 CD LYS A 5 7.739 -9.950 -1.823 1.00 0.00 C ATOM 43 CE LYS A 5 8.365 -10.820 -0.731 1.00 0.00 C ATOM 44 NZ LYS A 5 9.818 -10.555 -0.628 1.00 0.00 N ATOM 0 H LYS A 5 3.655 -10.721 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 5 3.985 -8.539 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.731 -9.682 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.056 -8.138 -2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.022 -9.279 -0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.788 -10.816 -1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.946 -10.383 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.194 -8.960 -1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.883 -10.616 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.196 -11.873 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.228 -11.153 0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.276 -10.771 -1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.972 -9.554 -0.392 1.00 0.00 H new ATOM 58 N PHE A 6 2.839 -6.858 -2.854 1.00 0.00 N ATOM 59 CA PHE A 6 2.195 -5.786 -3.594 1.00 0.00 C ATOM 60 C PHE A 6 3.061 -4.523 -3.596 1.00 0.00 C ATOM 61 O PHE A 6 3.990 -4.403 -2.800 1.00 0.00 O ATOM 62 CB PHE A 6 0.874 -5.483 -2.885 1.00 0.00 C ATOM 63 CG PHE A 6 -0.105 -6.658 -2.865 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.209 -7.795 -2.187 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.291 -6.567 -3.527 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.700 -8.886 -2.169 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.199 -7.658 -3.510 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.884 -8.794 -2.831 1.00 0.00 C ATOM 0 H PHE A 6 2.779 -6.772 -1.839 1.00 0.00 H new ATOM 0 HA PHE A 6 2.040 -6.090 -4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.085 -5.182 -1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.397 -4.634 -3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.150 -7.868 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.541 -5.665 -4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.451 -9.788 -1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.140 -7.586 -4.036 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.575 -9.624 -2.818 1.00 0.00 H new ATOM 78 N ILE A 7 2.723 -3.614 -4.499 1.00 0.00 N ATOM 79 CA ILE A 7 3.458 -2.367 -4.615 1.00 0.00 C ATOM 80 C ILE A 7 2.475 -1.224 -4.880 1.00 0.00 C ATOM 81 O ILE A 7 2.050 -1.016 -6.015 1.00 0.00 O ATOM 82 CB ILE A 7 4.558 -2.488 -5.671 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.524 -3.862 -6.343 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.931 -2.177 -5.071 1.00 0.00 C ATOM 85 CD1 ILE A 7 5.437 -3.895 -7.570 1.00 0.00 C ATOM 0 H ILE A 7 1.950 -3.717 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 7 3.970 -2.139 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 7 4.370 -1.746 -6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.837 -4.626 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.502 -4.101 -6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.695 -2.270 -5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.935 -1.160 -4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.143 -2.879 -4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.394 -4.883 -8.029 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.107 -3.146 -8.290 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.462 -3.680 -7.267 1.00 0.00 H new ATOM 97 N VAL A 8 2.142 -0.514 -3.812 1.00 0.00 N ATOM 98 CA VAL A 8 1.217 0.603 -3.915 1.00 0.00 C ATOM 99 C VAL A 8 2.004 1.914 -3.905 1.00 0.00 C ATOM 100 O VAL A 8 3.180 1.934 -3.546 1.00 0.00 O ATOM 101 CB VAL A 8 0.174 0.522 -2.797 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.162 -0.932 -2.464 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.647 1.275 -1.552 1.00 0.00 C ATOM 0 H VAL A 8 2.496 -0.690 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 8 0.669 0.561 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.737 1.002 -3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.905 -0.960 -1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.561 -1.425 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.741 -1.448 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.112 1.202 -0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.578 0.837 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.812 2.323 -1.801 1.00 0.00 H new ATOM 113 N ILE A 9 1.323 2.978 -4.304 1.00 0.00 N ATOM 114 CA ILE A 9 1.944 4.292 -4.346 1.00 0.00 C ATOM 115 C ILE A 9 0.946 5.339 -3.849 1.00 0.00 C ATOM 116 O ILE A 9 -0.214 5.023 -3.589 1.00 0.00 O ATOM 117 CB ILE A 9 2.493 4.580 -5.744 1.00 0.00 C ATOM 118 CG1 ILE A 9 4.017 4.715 -5.719 1.00 0.00 C ATOM 119 CG2 ILE A 9 1.818 5.811 -6.354 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.691 3.354 -5.904 1.00 0.00 C ATOM 0 H ILE A 9 0.347 2.958 -4.601 1.00 0.00 H new ATOM 0 HA ILE A 9 2.804 4.329 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 9 2.257 3.731 -6.385 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.338 5.394 -6.508 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.331 5.155 -4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.226 5.995 -7.348 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.744 5.638 -6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.002 6.679 -5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.774 3.478 -5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.386 2.685 -5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.394 2.928 -6.862 1.00 0.00 H new ATOM 132 N PHE A 10 1.434 6.565 -3.729 1.00 0.00 N ATOM 133 CA PHE A 10 0.599 7.661 -3.267 1.00 0.00 C ATOM 134 C PHE A 10 0.785 8.900 -4.146 1.00 0.00 C ATOM 135 O PHE A 10 1.894 9.187 -4.594 1.00 0.00 O ATOM 136 CB PHE A 10 1.043 7.991 -1.841 1.00 0.00 C ATOM 137 CG PHE A 10 1.280 6.760 -0.963 1.00 0.00 C ATOM 138 CD1 PHE A 10 0.223 6.040 -0.502 1.00 0.00 C ATOM 139 CD2 PHE A 10 2.549 6.388 -0.644 1.00 0.00 C ATOM 140 CE1 PHE A 10 0.443 4.898 0.313 1.00 0.00 C ATOM 141 CE2 PHE A 10 2.769 5.246 0.171 1.00 0.00 C ATOM 142 CZ PHE A 10 1.712 4.525 0.632 1.00 0.00 C ATOM 0 H PHE A 10 2.397 6.824 -3.944 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.451 7.372 -3.310 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.961 8.577 -1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.286 8.619 -1.372 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.784 6.337 -0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.388 6.961 -1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.397 4.326 0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.776 4.950 0.425 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.880 3.656 1.251 1.00 0.00 H new ATOM 152 N LYS A 11 -0.318 9.601 -4.366 1.00 0.00 N ATOM 153 CA LYS A 11 -0.290 10.802 -5.183 1.00 0.00 C ATOM 154 C LYS A 11 0.759 11.767 -4.628 1.00 0.00 C ATOM 155 O LYS A 11 1.457 11.446 -3.668 1.00 0.00 O ATOM 156 CB LYS A 11 -1.691 11.411 -5.289 1.00 0.00 C ATOM 157 CG LYS A 11 -2.245 11.754 -3.904 1.00 0.00 C ATOM 158 CD LYS A 11 -3.746 12.038 -3.971 1.00 0.00 C ATOM 159 CE LYS A 11 -4.042 13.210 -4.908 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.465 13.203 -5.315 1.00 0.00 N ATOM 0 H LYS A 11 -1.236 9.360 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 11 0.006 10.561 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.655 12.311 -5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.359 10.710 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.058 10.928 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.724 12.624 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.273 11.149 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.122 12.262 -2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.805 14.150 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.405 13.147 -5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.648 14.005 -5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.680 12.314 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.068 13.285 -4.471 1.00 0.00 H new ATOM 174 N ASN A 12 0.837 12.931 -5.256 1.00 0.00 N ATOM 175 CA ASN A 12 1.790 13.945 -4.837 1.00 0.00 C ATOM 176 C ASN A 12 1.095 14.936 -3.902 1.00 0.00 C ATOM 177 O ASN A 12 1.382 16.132 -3.934 1.00 0.00 O ATOM 178 CB ASN A 12 2.328 14.726 -6.038 1.00 0.00 C ATOM 179 CG ASN A 12 3.845 14.904 -5.942 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.618 13.987 -6.167 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.224 16.130 -5.598 1.00 0.00 N ATOM 0 H ASN A 12 0.256 13.195 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 12 2.617 13.443 -4.334 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.078 14.201 -6.960 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.846 15.702 -6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.216 16.351 -5.508 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.523 16.850 -5.424 1.00 0.00 H new ATOM 188 N ASP A 13 0.195 14.402 -3.090 1.00 0.00 N ATOM 189 CA ASP A 13 -0.544 15.225 -2.146 1.00 0.00 C ATOM 190 C ASP A 13 -0.356 14.669 -0.734 1.00 0.00 C ATOM 191 O ASP A 13 -0.107 15.422 0.205 1.00 0.00 O ATOM 192 CB ASP A 13 -2.041 15.216 -2.463 1.00 0.00 C ATOM 193 CG ASP A 13 -2.638 16.583 -2.805 1.00 0.00 C ATOM 194 OD1 ASP A 13 -2.205 17.150 -3.831 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.514 17.029 -2.032 1.00 0.00 O ATOM 0 H ASP A 13 -0.040 13.410 -3.066 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.166 16.245 -2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.216 14.540 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.576 14.807 -1.606 1.00 0.00 H new ATOM 200 N VAL A 14 -0.482 13.354 -0.629 1.00 0.00 N ATOM 201 CA VAL A 14 -0.329 12.687 0.653 1.00 0.00 C ATOM 202 C VAL A 14 0.806 13.351 1.435 1.00 0.00 C ATOM 203 O VAL A 14 1.760 13.855 0.844 1.00 0.00 O ATOM 204 CB VAL A 14 -0.112 11.187 0.440 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.674 10.924 -0.846 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.586 10.557 1.647 1.00 0.00 C ATOM 0 H VAL A 14 -0.688 12.733 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.237 12.789 1.248 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.091 10.719 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.814 9.851 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.122 11.321 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.647 11.412 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.728 9.491 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.555 11.032 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.028 10.698 2.537 1.00 0.00 H new ATOM 216 N SER A 15 0.667 13.329 2.752 1.00 0.00 N ATOM 217 CA SER A 15 1.668 13.921 3.622 1.00 0.00 C ATOM 218 C SER A 15 2.713 12.872 4.009 1.00 0.00 C ATOM 219 O SER A 15 2.645 11.729 3.561 1.00 0.00 O ATOM 220 CB SER A 15 1.026 14.519 4.875 1.00 0.00 C ATOM 221 OG SER A 15 1.292 13.737 6.036 1.00 0.00 O ATOM 0 H SER A 15 -0.125 12.910 3.238 1.00 0.00 H new ATOM 0 HA SER A 15 2.158 14.728 3.078 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.400 15.531 5.026 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.051 14.596 4.729 1.00 0.00 H new ATOM 0 HG SER A 15 0.867 14.153 6.815 1.00 0.00 H new ATOM 227 N GLU A 16 3.654 13.299 4.838 1.00 0.00 N ATOM 228 CA GLU A 16 4.710 12.410 5.290 1.00 0.00 C ATOM 229 C GLU A 16 4.172 11.436 6.341 1.00 0.00 C ATOM 230 O GLU A 16 4.256 10.221 6.168 1.00 0.00 O ATOM 231 CB GLU A 16 5.899 13.204 5.837 1.00 0.00 C ATOM 232 CG GLU A 16 7.224 12.576 5.403 1.00 0.00 C ATOM 233 CD GLU A 16 8.185 13.639 4.867 1.00 0.00 C ATOM 234 OE1 GLU A 16 8.629 14.469 5.688 1.00 0.00 O ATOM 235 OE2 GLU A 16 8.454 13.596 3.647 1.00 0.00 O ATOM 0 H GLU A 16 3.707 14.248 5.208 1.00 0.00 H new ATOM 0 HA GLU A 16 5.062 11.833 4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.847 14.234 5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.848 13.238 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.681 12.061 6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.040 11.826 4.634 1.00 0.00 H new ATOM 242 N ASP A 17 3.630 12.007 7.407 1.00 0.00 N ATOM 243 CA ASP A 17 3.077 11.204 8.486 1.00 0.00 C ATOM 244 C ASP A 17 2.017 10.258 7.920 1.00 0.00 C ATOM 245 O ASP A 17 1.857 9.139 8.404 1.00 0.00 O ATOM 246 CB ASP A 17 2.409 12.087 9.542 1.00 0.00 C ATOM 247 CG ASP A 17 3.373 12.820 10.476 1.00 0.00 C ATOM 248 OD1 ASP A 17 4.213 13.578 9.944 1.00 0.00 O ATOM 249 OD2 ASP A 17 3.248 12.607 11.701 1.00 0.00 O ATOM 0 H ASP A 17 3.562 13.015 7.547 1.00 0.00 H new ATOM 0 HA ASP A 17 3.894 10.647 8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.786 12.825 9.036 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.744 11.468 10.144 1.00 0.00 H new ATOM 254 N LYS A 18 1.319 10.743 6.903 1.00 0.00 N ATOM 255 CA LYS A 18 0.278 9.955 6.266 1.00 0.00 C ATOM 256 C LYS A 18 0.900 8.698 5.652 1.00 0.00 C ATOM 257 O LYS A 18 0.375 7.598 5.815 1.00 0.00 O ATOM 258 CB LYS A 18 -0.503 10.807 5.265 1.00 0.00 C ATOM 259 CG LYS A 18 -1.917 11.093 5.773 1.00 0.00 C ATOM 260 CD LYS A 18 -1.922 12.279 6.740 1.00 0.00 C ATOM 261 CE LYS A 18 -3.351 12.755 7.015 1.00 0.00 C ATOM 262 NZ LYS A 18 -3.356 13.792 8.071 1.00 0.00 N ATOM 0 H LYS A 18 1.454 11.672 6.505 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.453 9.622 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.023 11.746 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.555 10.292 4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.575 11.304 4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.313 10.209 6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.444 11.992 7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.336 13.097 6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.790 13.156 6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.969 11.911 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.332 14.105 8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.956 13.398 8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.783 14.603 7.764 1.00 0.00 H new ATOM 276 N ILE A 19 2.009 8.905 4.958 1.00 0.00 N ATOM 277 CA ILE A 19 2.708 7.803 4.319 1.00 0.00 C ATOM 278 C ILE A 19 2.983 6.710 5.354 1.00 0.00 C ATOM 279 O ILE A 19 2.566 5.566 5.180 1.00 0.00 O ATOM 280 CB ILE A 19 3.965 8.307 3.606 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.873 8.068 2.098 1.00 0.00 C ATOM 282 CG2 ILE A 19 5.224 7.683 4.210 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.787 9.028 1.334 1.00 0.00 C ATOM 0 H ILE A 19 2.441 9.819 4.824 1.00 0.00 H new ATOM 0 HA ILE A 19 2.087 7.357 3.542 1.00 0.00 H new ATOM 0 HB ILE A 19 4.035 9.384 3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.151 7.038 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.843 8.200 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.103 8.057 3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.291 7.948 5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.176 6.599 4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.703 8.837 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.491 10.056 1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.819 8.876 1.649 1.00 0.00 H new ATOM 295 N ARG A 20 3.685 7.101 6.407 1.00 0.00 N ATOM 296 CA ARG A 20 4.022 6.170 7.470 1.00 0.00 C ATOM 297 C ARG A 20 2.750 5.569 8.072 1.00 0.00 C ATOM 298 O ARG A 20 2.746 4.415 8.500 1.00 0.00 O ATOM 299 CB ARG A 20 4.823 6.861 8.575 1.00 0.00 C ATOM 300 CG ARG A 20 6.268 7.105 8.133 1.00 0.00 C ATOM 301 CD ARG A 20 6.764 8.470 8.614 1.00 0.00 C ATOM 302 NE ARG A 20 7.824 8.295 9.632 1.00 0.00 N ATOM 303 CZ ARG A 20 8.418 9.306 10.279 1.00 0.00 C ATOM 304 NH1 ARG A 20 8.062 10.571 10.019 1.00 0.00 N ATOM 305 NH2 ARG A 20 9.371 9.052 11.187 1.00 0.00 N ATOM 0 H ARG A 20 4.030 8.051 6.547 1.00 0.00 H new ATOM 0 HA ARG A 20 4.632 5.378 7.036 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.352 7.810 8.832 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.813 6.246 9.475 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.911 6.320 8.530 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.334 7.052 7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.149 9.043 7.771 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.935 9.039 9.035 1.00 0.00 H new ATOM 0 HE ARG A 20 8.121 7.345 9.855 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.338 10.765 9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.515 11.340 10.513 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.643 8.089 11.385 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.824 9.822 11.680 1.00 0.00 H new ATOM 319 N GLU A 21 1.701 6.377 8.085 1.00 0.00 N ATOM 320 CA GLU A 21 0.425 5.940 8.627 1.00 0.00 C ATOM 321 C GLU A 21 -0.140 4.790 7.791 1.00 0.00 C ATOM 322 O GLU A 21 -0.291 3.674 8.286 1.00 0.00 O ATOM 323 CB GLU A 21 -0.567 7.103 8.702 1.00 0.00 C ATOM 324 CG GLU A 21 -0.284 7.987 9.918 1.00 0.00 C ATOM 325 CD GLU A 21 -1.517 8.096 10.816 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.577 8.488 10.279 1.00 0.00 O ATOM 327 OE2 GLU A 21 -1.375 7.785 12.018 1.00 0.00 O ATOM 0 H GLU A 21 1.708 7.333 7.729 1.00 0.00 H new ATOM 0 HA GLU A 21 0.588 5.580 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.503 7.699 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.584 6.715 8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.549 7.573 10.487 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.018 8.981 9.587 1.00 0.00 H new ATOM 334 N THR A 22 -0.438 5.102 6.538 1.00 0.00 N ATOM 335 CA THR A 22 -0.984 4.109 5.630 1.00 0.00 C ATOM 336 C THR A 22 -0.314 2.753 5.856 1.00 0.00 C ATOM 337 O THR A 22 -0.987 1.726 5.922 1.00 0.00 O ATOM 338 CB THR A 22 -0.824 4.636 4.202 1.00 0.00 C ATOM 339 OG1 THR A 22 -1.725 5.737 4.134 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.354 3.656 3.153 1.00 0.00 C ATOM 0 H THR A 22 -0.311 6.029 6.131 1.00 0.00 H new ATOM 0 HA THR A 22 -2.046 3.946 5.815 1.00 0.00 H new ATOM 0 HB THR A 22 0.229 4.842 4.008 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.684 6.139 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.216 4.079 2.158 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.809 2.715 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.415 3.475 3.327 1.00 0.00 H new ATOM 348 N LYS A 23 1.007 2.794 5.969 1.00 0.00 N ATOM 349 CA LYS A 23 1.776 1.581 6.186 1.00 0.00 C ATOM 350 C LYS A 23 1.372 0.958 7.525 1.00 0.00 C ATOM 351 O LYS A 23 1.017 -0.218 7.584 1.00 0.00 O ATOM 352 CB LYS A 23 3.275 1.868 6.069 1.00 0.00 C ATOM 353 CG LYS A 23 3.760 1.674 4.632 1.00 0.00 C ATOM 354 CD LYS A 23 3.548 2.945 3.805 1.00 0.00 C ATOM 355 CE LYS A 23 4.855 3.727 3.658 1.00 0.00 C ATOM 356 NZ LYS A 23 4.825 4.559 2.434 1.00 0.00 N ATOM 0 H LYS A 23 1.563 3.648 5.914 1.00 0.00 H new ATOM 0 HA LYS A 23 1.554 0.846 5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.479 2.889 6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.829 1.207 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.817 1.409 4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.224 0.843 4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.164 2.682 2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.796 3.573 4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.007 4.360 4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.697 3.036 3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.544 5.307 2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.025 3.964 1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.885 4.992 2.331 1.00 0.00 H new ATOM 370 N ASP A 24 1.441 1.776 8.565 1.00 0.00 N ATOM 371 CA ASP A 24 1.087 1.319 9.899 1.00 0.00 C ATOM 372 C ASP A 24 -0.344 0.779 9.885 1.00 0.00 C ATOM 373 O ASP A 24 -0.637 -0.228 10.529 1.00 0.00 O ATOM 374 CB ASP A 24 1.149 2.468 10.908 1.00 0.00 C ATOM 375 CG ASP A 24 2.414 2.508 11.767 1.00 0.00 C ATOM 376 OD1 ASP A 24 2.648 1.507 12.479 1.00 0.00 O ATOM 377 OD2 ASP A 24 3.118 3.537 11.693 1.00 0.00 O ATOM 0 H ASP A 24 1.736 2.751 8.512 1.00 0.00 H new ATOM 0 HA ASP A 24 1.796 0.544 10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.065 3.411 10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.283 2.400 11.566 1.00 0.00 H new ATOM 382 N GLU A 25 -1.198 1.471 9.144 1.00 0.00 N ATOM 383 CA GLU A 25 -2.591 1.073 9.039 1.00 0.00 C ATOM 384 C GLU A 25 -2.692 -0.401 8.637 1.00 0.00 C ATOM 385 O GLU A 25 -3.495 -1.146 9.198 1.00 0.00 O ATOM 386 CB GLU A 25 -3.342 1.964 8.047 1.00 0.00 C ATOM 387 CG GLU A 25 -4.277 2.928 8.778 1.00 0.00 C ATOM 388 CD GLU A 25 -5.742 2.539 8.564 1.00 0.00 C ATOM 389 OE1 GLU A 25 -6.223 2.743 7.428 1.00 0.00 O ATOM 390 OE2 GLU A 25 -6.347 2.047 9.540 1.00 0.00 O ATOM 0 H GLU A 25 -0.951 2.305 8.611 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.059 1.197 10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.628 2.528 7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.917 1.344 7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.048 2.925 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.111 3.944 8.419 1.00 0.00 H new ATOM 397 N VAL A 26 -1.868 -0.776 7.671 1.00 0.00 N ATOM 398 CA VAL A 26 -1.855 -2.146 7.188 1.00 0.00 C ATOM 399 C VAL A 26 -1.153 -3.037 8.216 1.00 0.00 C ATOM 400 O VAL A 26 -1.624 -4.134 8.516 1.00 0.00 O ATOM 401 CB VAL A 26 -1.209 -2.208 5.803 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.175 -2.856 5.872 1.00 0.00 C ATOM 403 CG2 VAL A 26 -2.111 -2.944 4.810 1.00 0.00 C ATOM 0 H VAL A 26 -1.204 -0.155 7.209 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.872 -2.520 7.073 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.082 -1.186 5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.612 -2.888 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.818 -2.272 6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.083 -3.870 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.628 -2.974 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.284 -3.961 5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.064 -2.422 4.728 1.00 0.00 H new ATOM 413 N ILE A 27 -0.039 -2.534 8.726 1.00 0.00 N ATOM 414 CA ILE A 27 0.732 -3.270 9.711 1.00 0.00 C ATOM 415 C ILE A 27 -0.198 -3.742 10.831 1.00 0.00 C ATOM 416 O ILE A 27 -0.101 -4.882 11.284 1.00 0.00 O ATOM 417 CB ILE A 27 1.912 -2.430 10.206 1.00 0.00 C ATOM 418 CG1 ILE A 27 2.831 -2.040 9.047 1.00 0.00 C ATOM 419 CG2 ILE A 27 2.670 -3.152 11.322 1.00 0.00 C ATOM 420 CD1 ILE A 27 3.930 -3.085 8.844 1.00 0.00 C ATOM 0 H ILE A 27 0.348 -1.624 8.475 1.00 0.00 H new ATOM 0 HA ILE A 27 1.171 -4.161 9.262 1.00 0.00 H new ATOM 0 HB ILE A 27 1.519 -1.506 10.630 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.246 -1.939 8.133 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.281 -1.067 9.246 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.503 -2.533 11.655 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.997 -3.336 12.159 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.051 -4.102 10.947 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.570 -2.784 8.014 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.528 -3.166 9.752 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.477 -4.051 8.621 1.00 0.00 H new ATOM 432 N ALA A 28 -1.079 -2.843 11.244 1.00 0.00 N ATOM 433 CA ALA A 28 -2.026 -3.154 12.301 1.00 0.00 C ATOM 434 C ALA A 28 -3.176 -3.981 11.723 1.00 0.00 C ATOM 435 O ALA A 28 -3.842 -4.718 12.450 1.00 0.00 O ATOM 436 CB ALA A 28 -2.511 -1.856 12.951 1.00 0.00 C ATOM 0 H ALA A 28 -1.157 -1.899 10.866 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.550 -3.750 13.079 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.221 -2.090 13.744 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.660 -1.320 13.372 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.997 -1.233 12.200 1.00 0.00 H new ATOM 442 N GLU A 29 -3.374 -3.832 10.422 1.00 0.00 N ATOM 443 CA GLU A 29 -4.431 -4.556 9.738 1.00 0.00 C ATOM 444 C GLU A 29 -4.027 -6.017 9.531 1.00 0.00 C ATOM 445 O GLU A 29 -4.566 -6.912 10.180 1.00 0.00 O ATOM 446 CB GLU A 29 -4.780 -3.890 8.405 1.00 0.00 C ATOM 447 CG GLU A 29 -6.094 -4.438 7.846 1.00 0.00 C ATOM 448 CD GLU A 29 -6.843 -3.363 7.055 1.00 0.00 C ATOM 449 OE1 GLU A 29 -6.254 -2.867 6.071 1.00 0.00 O ATOM 450 OE2 GLU A 29 -7.989 -3.061 7.453 1.00 0.00 O ATOM 0 H GLU A 29 -2.820 -3.220 9.823 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.323 -4.531 10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.861 -2.812 8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.977 -4.060 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.891 -5.293 7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.720 -4.796 8.663 1.00 0.00 H new ATOM 457 N GLY A 30 -3.081 -6.213 8.625 1.00 0.00 N ATOM 458 CA GLY A 30 -2.598 -7.551 8.325 1.00 0.00 C ATOM 459 C GLY A 30 -1.275 -7.497 7.558 1.00 0.00 C ATOM 460 O GLY A 30 -0.224 -7.834 8.102 1.00 0.00 O ATOM 0 H GLY A 30 -2.636 -5.468 8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.463 -8.109 9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.342 -8.087 7.736 1.00 0.00 H new ATOM 464 N GLY A 31 -1.370 -7.068 6.308 1.00 0.00 N ATOM 465 CA GLY A 31 -0.193 -6.966 5.461 1.00 0.00 C ATOM 466 C GLY A 31 0.971 -6.322 6.217 1.00 0.00 C ATOM 467 O GLY A 31 0.788 -5.787 7.309 1.00 0.00 O ATOM 0 H GLY A 31 -2.243 -6.787 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.098 -7.958 5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.428 -6.375 4.575 1.00 0.00 H new ATOM 471 N THR A 32 2.145 -6.397 5.605 1.00 0.00 N ATOM 472 CA THR A 32 3.339 -5.829 6.206 1.00 0.00 C ATOM 473 C THR A 32 4.178 -5.110 5.148 1.00 0.00 C ATOM 474 O THR A 32 3.805 -5.070 3.976 1.00 0.00 O ATOM 475 CB THR A 32 4.092 -6.955 6.917 1.00 0.00 C ATOM 476 OG1 THR A 32 3.072 -7.886 7.267 1.00 0.00 O ATOM 477 CG2 THR A 32 4.671 -6.513 8.262 1.00 0.00 C ATOM 0 H THR A 32 2.294 -6.843 4.700 1.00 0.00 H new ATOM 0 HA THR A 32 3.086 -5.070 6.946 1.00 0.00 H new ATOM 0 HB THR A 32 4.897 -7.315 6.276 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.472 -8.650 7.732 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.195 -7.349 8.725 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.368 -5.690 8.105 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.863 -6.185 8.916 1.00 0.00 H new ATOM 485 N ILE A 33 5.297 -4.561 5.598 1.00 0.00 N ATOM 486 CA ILE A 33 6.192 -3.845 4.705 1.00 0.00 C ATOM 487 C ILE A 33 7.589 -4.465 4.787 1.00 0.00 C ATOM 488 O ILE A 33 8.099 -4.714 5.878 1.00 0.00 O ATOM 489 CB ILE A 33 6.166 -2.346 5.007 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.731 -1.848 5.194 1.00 0.00 C ATOM 491 CG2 ILE A 33 6.910 -1.556 3.928 1.00 0.00 C ATOM 492 CD1 ILE A 33 3.939 -1.958 3.889 1.00 0.00 C ATOM 0 H ILE A 33 5.604 -4.598 6.570 1.00 0.00 H new ATOM 0 HA ILE A 33 5.858 -3.943 3.672 1.00 0.00 H new ATOM 0 HB ILE A 33 6.690 -2.179 5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.239 -2.430 5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.743 -0.811 5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.876 -0.493 4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.948 -1.886 3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.436 -1.726 2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.923 -1.598 4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.421 -1.355 3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.909 -2.999 3.568 1.00 0.00 H new ATOM 504 N THR A 34 8.168 -4.696 3.618 1.00 0.00 N ATOM 505 CA THR A 34 9.495 -5.282 3.544 1.00 0.00 C ATOM 506 C THR A 34 10.490 -4.277 2.957 1.00 0.00 C ATOM 507 O THR A 34 11.685 -4.348 3.236 1.00 0.00 O ATOM 508 CB THR A 34 9.396 -6.578 2.737 1.00 0.00 C ATOM 509 OG1 THR A 34 10.620 -7.253 3.013 1.00 0.00 O ATOM 510 CG2 THR A 34 9.437 -6.334 1.227 1.00 0.00 C ATOM 0 H THR A 34 7.742 -4.488 2.715 1.00 0.00 H new ATOM 0 HA THR A 34 9.874 -5.527 4.536 1.00 0.00 H new ATOM 0 HB THR A 34 8.472 -7.096 2.995 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.639 -8.106 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.363 -7.287 0.702 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.602 -5.695 0.939 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.375 -5.846 0.963 1.00 0.00 H new ATOM 518 N ASN A 35 9.957 -3.364 2.157 1.00 0.00 N ATOM 519 CA ASN A 35 10.784 -2.347 1.530 1.00 0.00 C ATOM 520 C ASN A 35 9.920 -1.126 1.204 1.00 0.00 C ATOM 521 O ASN A 35 8.694 -1.214 1.193 1.00 0.00 O ATOM 522 CB ASN A 35 11.392 -2.859 0.224 1.00 0.00 C ATOM 523 CG ASN A 35 12.911 -2.999 0.344 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.653 -2.031 0.326 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.329 -4.256 0.465 1.00 0.00 N ATOM 0 H ASN A 35 8.964 -3.308 1.929 1.00 0.00 H new ATOM 0 HA ASN A 35 11.585 -2.089 2.222 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.953 -3.824 -0.032 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.149 -2.173 -0.588 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.326 -4.456 0.550 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.653 -5.020 0.473 1.00 0.00 H new ATOM 532 N GLU A 36 10.595 -0.016 0.947 1.00 0.00 N ATOM 533 CA GLU A 36 9.907 1.221 0.621 1.00 0.00 C ATOM 534 C GLU A 36 10.563 1.893 -0.586 1.00 0.00 C ATOM 535 O GLU A 36 11.640 1.484 -1.019 1.00 0.00 O ATOM 536 CB GLU A 36 9.876 2.166 1.825 1.00 0.00 C ATOM 537 CG GLU A 36 11.103 3.079 1.836 1.00 0.00 C ATOM 538 CD GLU A 36 12.385 2.271 2.052 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.437 1.549 3.071 1.00 0.00 O ATOM 540 OE2 GLU A 36 13.284 2.393 1.192 1.00 0.00 O ATOM 0 H GLU A 36 11.613 0.053 0.958 1.00 0.00 H new ATOM 0 HA GLU A 36 8.876 0.981 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.969 2.770 1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.842 1.585 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.165 3.622 0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.000 3.823 2.626 1.00 0.00 H new ATOM 547 N TYR A 37 9.887 2.912 -1.097 1.00 0.00 N ATOM 548 CA TYR A 37 10.391 3.644 -2.246 1.00 0.00 C ATOM 549 C TYR A 37 10.417 5.149 -1.969 1.00 0.00 C ATOM 550 O TYR A 37 9.434 5.846 -2.219 1.00 0.00 O ATOM 551 CB TYR A 37 9.412 3.364 -3.388 1.00 0.00 C ATOM 552 CG TYR A 37 9.421 1.912 -3.872 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.482 1.441 -4.619 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.368 1.075 -3.564 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.490 0.076 -5.076 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.377 -0.291 -4.021 1.00 0.00 C ATOM 557 CZ TYR A 37 9.437 -0.723 -4.754 1.00 0.00 C ATOM 558 OH TYR A 37 9.445 -2.013 -5.186 1.00 0.00 O ATOM 0 H TYR A 37 8.994 3.248 -0.736 1.00 0.00 H new ATOM 0 HA TYR A 37 11.409 3.333 -2.483 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.405 3.621 -3.061 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.651 4.018 -4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.306 2.096 -4.860 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.537 1.444 -2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.314 -0.305 -5.661 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.560 -0.957 -3.786 1.00 0.00 H new ATOM 0 HH TYR A 37 9.414 -2.617 -4.415 1.00 0.00 H new ATOM 568 N ASN A 38 11.550 5.605 -1.458 1.00 0.00 N ATOM 569 CA ASN A 38 11.716 7.014 -1.145 1.00 0.00 C ATOM 570 C ASN A 38 12.286 7.740 -2.365 1.00 0.00 C ATOM 571 O ASN A 38 13.485 8.008 -2.428 1.00 0.00 O ATOM 572 CB ASN A 38 12.690 7.209 0.019 1.00 0.00 C ATOM 573 CG ASN A 38 13.954 6.370 -0.179 1.00 0.00 C ATOM 574 OD1 ASN A 38 14.302 5.973 -1.279 1.00 0.00 O ATOM 575 ND2 ASN A 38 14.621 6.125 0.946 1.00 0.00 N ATOM 0 H ASN A 38 12.363 5.024 -1.253 1.00 0.00 H new ATOM 0 HA ASN A 38 10.740 7.415 -0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.957 8.262 0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.206 6.929 0.954 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.479 5.575 0.920 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.274 6.488 1.834 1.00 0.00 H new ATOM 582 N MET A 39 11.400 8.036 -3.305 1.00 0.00 N ATOM 583 CA MET A 39 11.800 8.725 -4.520 1.00 0.00 C ATOM 584 C MET A 39 11.192 10.128 -4.580 1.00 0.00 C ATOM 585 O MET A 39 10.262 10.438 -3.837 1.00 0.00 O ATOM 586 CB MET A 39 11.345 7.919 -5.738 1.00 0.00 C ATOM 587 CG MET A 39 12.468 7.014 -6.248 1.00 0.00 C ATOM 588 SD MET A 39 12.824 7.387 -7.956 1.00 0.00 S ATOM 589 CE MET A 39 13.595 5.854 -8.454 1.00 0.00 C ATOM 0 H MET A 39 10.407 7.811 -3.249 1.00 0.00 H new ATOM 0 HA MET A 39 12.886 8.819 -4.521 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.477 7.314 -5.475 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.032 8.598 -6.531 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.363 7.155 -5.642 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.177 5.968 -6.149 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.882 5.915 -9.504 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.482 5.678 -7.845 1.00 0.00 H new ATOM 0 HE3 MET A 39 12.892 5.032 -8.317 1.00 0.00 H new ATOM 599 N PRO A 40 11.758 10.961 -5.496 1.00 0.00 N ATOM 600 CA PRO A 40 11.282 12.323 -5.662 1.00 0.00 C ATOM 601 C PRO A 40 9.948 12.350 -6.410 1.00 0.00 C ATOM 602 O PRO A 40 8.924 12.732 -5.847 1.00 0.00 O ATOM 603 CB PRO A 40 12.396 13.040 -6.407 1.00 0.00 C ATOM 604 CG PRO A 40 13.246 11.949 -7.037 1.00 0.00 C ATOM 605 CD PRO A 40 12.861 10.628 -6.392 1.00 0.00 C ATOM 0 HA PRO A 40 11.075 12.816 -4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.991 13.707 -7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.988 13.653 -5.728 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.081 11.910 -8.114 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.306 12.154 -6.884 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.556 9.896 -7.140 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.699 10.195 -5.845 1.00 0.00 H new ATOM 613 N GLY A 41 10.004 11.940 -7.669 1.00 0.00 N ATOM 614 CA GLY A 41 8.812 11.911 -8.500 1.00 0.00 C ATOM 615 C GLY A 41 7.956 10.682 -8.192 1.00 0.00 C ATOM 616 O GLY A 41 6.915 10.474 -8.812 1.00 0.00 O ATOM 0 H GLY A 41 10.856 11.625 -8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.227 12.816 -8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.098 11.904 -9.552 1.00 0.00 H new ATOM 620 N MET A 42 8.428 9.898 -7.232 1.00 0.00 N ATOM 621 CA MET A 42 7.718 8.695 -6.834 1.00 0.00 C ATOM 622 C MET A 42 7.801 8.485 -5.320 1.00 0.00 C ATOM 623 O MET A 42 8.874 8.606 -4.731 1.00 0.00 O ATOM 624 CB MET A 42 8.322 7.486 -7.550 1.00 0.00 C ATOM 625 CG MET A 42 7.354 6.300 -7.535 1.00 0.00 C ATOM 626 SD MET A 42 6.971 5.804 -9.206 1.00 0.00 S ATOM 627 CE MET A 42 7.880 4.270 -9.291 1.00 0.00 C ATOM 0 H MET A 42 9.292 10.073 -6.719 1.00 0.00 H new ATOM 0 HA MET A 42 6.669 8.806 -7.110 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.562 7.751 -8.580 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.257 7.203 -7.067 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.797 5.465 -6.992 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.439 6.573 -7.009 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.749 3.823 -10.277 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.939 4.464 -9.119 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.508 3.584 -8.530 1.00 0.00 H new ATOM 637 N LYS A 43 6.655 8.176 -4.734 1.00 0.00 N ATOM 638 CA LYS A 43 6.584 7.949 -3.301 1.00 0.00 C ATOM 639 C LYS A 43 5.650 6.770 -3.020 1.00 0.00 C ATOM 640 O LYS A 43 4.434 6.943 -2.932 1.00 0.00 O ATOM 641 CB LYS A 43 6.186 9.235 -2.573 1.00 0.00 C ATOM 642 CG LYS A 43 5.328 10.129 -3.470 1.00 0.00 C ATOM 643 CD LYS A 43 4.532 11.137 -2.638 1.00 0.00 C ATOM 644 CE LYS A 43 5.041 12.560 -2.866 1.00 0.00 C ATOM 645 NZ LYS A 43 6.074 12.908 -1.865 1.00 0.00 N ATOM 0 H LYS A 43 5.767 8.077 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 43 7.565 7.679 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.635 8.988 -1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.081 9.775 -2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.965 10.659 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.644 9.514 -4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.476 11.078 -2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.611 10.884 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.455 12.648 -3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.211 13.264 -2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.409 13.878 -2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.667 12.844 -0.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.873 12.247 -1.946 1.00 0.00 H new ATOM 659 N GLY A 44 6.251 5.597 -2.889 1.00 0.00 N ATOM 660 CA GLY A 44 5.487 4.390 -2.620 1.00 0.00 C ATOM 661 C GLY A 44 6.281 3.424 -1.738 1.00 0.00 C ATOM 662 O GLY A 44 7.314 3.793 -1.182 1.00 0.00 O ATOM 0 H GLY A 44 7.258 5.456 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.550 4.651 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.229 3.902 -3.560 1.00 0.00 H new ATOM 666 N PHE A 45 5.768 2.207 -1.639 1.00 0.00 N ATOM 667 CA PHE A 45 6.415 1.185 -0.833 1.00 0.00 C ATOM 668 C PHE A 45 6.034 -0.216 -1.316 1.00 0.00 C ATOM 669 O PHE A 45 5.039 -0.385 -2.018 1.00 0.00 O ATOM 670 CB PHE A 45 5.922 1.369 0.603 1.00 0.00 C ATOM 671 CG PHE A 45 4.516 0.822 0.853 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.344 -0.483 1.196 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.436 1.641 0.734 1.00 0.00 C ATOM 674 CE1 PHE A 45 3.039 -0.991 1.428 1.00 0.00 C ATOM 675 CE2 PHE A 45 2.131 1.133 0.966 1.00 0.00 C ATOM 676 CZ PHE A 45 1.960 -0.172 1.308 1.00 0.00 C ATOM 0 H PHE A 45 4.912 1.905 -2.103 1.00 0.00 H new ATOM 0 HA PHE A 45 7.498 1.283 -0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.618 0.876 1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.936 2.431 0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.201 -1.133 1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.572 2.678 0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.903 -2.027 1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.274 1.783 0.871 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.967 -0.558 1.484 1.00 0.00 H new ATOM 686 N ALA A 46 6.847 -1.184 -0.919 1.00 0.00 N ATOM 687 CA ALA A 46 6.606 -2.566 -1.301 1.00 0.00 C ATOM 688 C ALA A 46 6.613 -3.445 -0.050 1.00 0.00 C ATOM 689 O ALA A 46 7.252 -3.110 0.946 1.00 0.00 O ATOM 690 CB ALA A 46 7.657 -3.001 -2.326 1.00 0.00 C ATOM 0 H ALA A 46 7.672 -1.039 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 46 5.628 -2.670 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.478 -4.037 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.591 -2.363 -3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.651 -2.913 -1.888 1.00 0.00 H new ATOM 696 N GLY A 47 5.895 -4.555 -0.142 1.00 0.00 N ATOM 697 CA GLY A 47 5.810 -5.486 0.971 1.00 0.00 C ATOM 698 C GLY A 47 4.726 -6.536 0.726 1.00 0.00 C ATOM 699 O GLY A 47 4.335 -6.775 -0.417 1.00 0.00 O ATOM 0 H GLY A 47 5.367 -4.831 -0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.772 -5.978 1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.592 -4.941 1.890 1.00 0.00 H new ATOM 703 N GLU A 48 4.270 -7.136 1.815 1.00 0.00 N ATOM 704 CA GLU A 48 3.238 -8.155 1.732 1.00 0.00 C ATOM 705 C GLU A 48 1.870 -7.555 2.063 1.00 0.00 C ATOM 706 O GLU A 48 1.742 -6.774 3.005 1.00 0.00 O ATOM 707 CB GLU A 48 3.557 -9.334 2.654 1.00 0.00 C ATOM 708 CG GLU A 48 3.469 -10.661 1.898 1.00 0.00 C ATOM 709 CD GLU A 48 4.417 -11.699 2.501 1.00 0.00 C ATOM 710 OE1 GLU A 48 5.573 -11.315 2.785 1.00 0.00 O ATOM 711 OE2 GLU A 48 3.967 -12.854 2.664 1.00 0.00 O ATOM 0 H GLU A 48 4.596 -6.936 2.760 1.00 0.00 H new ATOM 0 HA GLU A 48 3.209 -8.532 0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.557 -9.214 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.861 -9.343 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.446 -11.035 1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.717 -10.503 0.848 1.00 0.00 H new ATOM 718 N LEU A 49 0.882 -7.941 1.269 1.00 0.00 N ATOM 719 CA LEU A 49 -0.471 -7.450 1.465 1.00 0.00 C ATOM 720 C LEU A 49 -1.464 -8.587 1.208 1.00 0.00 C ATOM 721 O LEU A 49 -1.071 -9.748 1.108 1.00 0.00 O ATOM 722 CB LEU A 49 -0.722 -6.209 0.606 1.00 0.00 C ATOM 723 CG LEU A 49 -0.604 -4.863 1.324 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.859 -4.437 1.455 1.00 0.00 C ATOM 725 CD2 LEU A 49 -1.451 -3.795 0.628 1.00 0.00 C ATOM 0 H LEU A 49 0.992 -8.588 0.488 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.613 -7.128 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.017 -6.218 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.721 -6.284 0.178 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.997 -4.979 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.914 -3.477 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.406 -5.187 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.301 -4.343 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.350 -2.848 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.111 -3.674 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.497 -4.102 0.630 1.00 0.00 H new ATOM 737 N THR A 50 -2.731 -8.212 1.110 1.00 0.00 N ATOM 738 CA THR A 50 -3.782 -9.184 0.865 1.00 0.00 C ATOM 739 C THR A 50 -4.927 -8.546 0.075 1.00 0.00 C ATOM 740 O THR A 50 -4.827 -7.396 -0.348 1.00 0.00 O ATOM 741 CB THR A 50 -4.219 -9.756 2.215 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.251 -9.257 3.134 1.00 0.00 O ATOM 743 CG2 THR A 50 -4.056 -11.275 2.289 1.00 0.00 C ATOM 0 H THR A 50 -3.053 -7.248 1.196 1.00 0.00 H new ATOM 0 HA THR A 50 -3.424 -10.007 0.247 1.00 0.00 H new ATOM 0 HB THR A 50 -5.261 -9.494 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.460 -9.579 4.036 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.380 -11.629 3.268 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.662 -11.744 1.514 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.009 -11.536 2.138 1.00 0.00 H new ATOM 751 N PRO A 51 -6.015 -9.341 -0.103 1.00 0.00 N ATOM 752 CA PRO A 51 -7.177 -8.866 -0.834 1.00 0.00 C ATOM 753 C PRO A 51 -7.991 -7.882 0.009 1.00 0.00 C ATOM 754 O PRO A 51 -8.583 -6.944 -0.523 1.00 0.00 O ATOM 755 CB PRO A 51 -7.954 -10.121 -1.196 1.00 0.00 C ATOM 756 CG PRO A 51 -7.450 -11.209 -0.262 1.00 0.00 C ATOM 757 CD PRO A 51 -6.169 -10.709 0.386 1.00 0.00 C ATOM 0 HA PRO A 51 -6.910 -8.306 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.026 -9.966 -1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.790 -10.395 -2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.198 -11.437 0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.264 -12.130 -0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.239 -10.735 1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.316 -11.328 0.107 1.00 0.00 H new ATOM 765 N GLN A 52 -7.995 -8.130 1.312 1.00 0.00 N ATOM 766 CA GLN A 52 -8.726 -7.277 2.233 1.00 0.00 C ATOM 767 C GLN A 52 -8.102 -5.881 2.273 1.00 0.00 C ATOM 768 O GLN A 52 -8.798 -4.881 2.102 1.00 0.00 O ATOM 769 CB GLN A 52 -8.775 -7.897 3.631 1.00 0.00 C ATOM 770 CG GLN A 52 -9.604 -7.034 4.584 1.00 0.00 C ATOM 771 CD GLN A 52 -9.313 -7.394 6.043 1.00 0.00 C ATOM 772 OE1 GLN A 52 -10.195 -7.737 6.812 1.00 0.00 O ATOM 773 NE2 GLN A 52 -8.029 -7.296 6.378 1.00 0.00 N ATOM 0 H GLN A 52 -7.504 -8.909 1.750 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.752 -7.184 1.876 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.204 -8.897 3.574 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.763 -8.006 4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.381 -5.981 4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.665 -7.172 4.376 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.342 -7.003 5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.732 -7.514 7.329 1.00 0.00 H new ATOM 782 N SER A 53 -6.797 -5.857 2.501 1.00 0.00 N ATOM 783 CA SER A 53 -6.072 -4.600 2.566 1.00 0.00 C ATOM 784 C SER A 53 -6.241 -3.829 1.256 1.00 0.00 C ATOM 785 O SER A 53 -6.341 -2.603 1.261 1.00 0.00 O ATOM 786 CB SER A 53 -4.587 -4.835 2.854 1.00 0.00 C ATOM 787 OG SER A 53 -4.295 -4.750 4.247 1.00 0.00 O ATOM 0 H SER A 53 -6.223 -6.688 2.643 1.00 0.00 H new ATOM 0 HA SER A 53 -6.485 -4.010 3.384 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.296 -5.817 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.992 -4.100 2.313 1.00 0.00 H new ATOM 0 HG SER A 53 -3.780 -5.537 4.522 1.00 0.00 H new ATOM 793 N LEU A 54 -6.271 -4.580 0.164 1.00 0.00 N ATOM 794 CA LEU A 54 -6.428 -3.982 -1.151 1.00 0.00 C ATOM 795 C LEU A 54 -7.652 -3.065 -1.147 1.00 0.00 C ATOM 796 O LEU A 54 -7.516 -1.842 -1.105 1.00 0.00 O ATOM 797 CB LEU A 54 -6.476 -5.066 -2.230 1.00 0.00 C ATOM 798 CG LEU A 54 -5.155 -5.355 -2.949 1.00 0.00 C ATOM 799 CD1 LEU A 54 -5.296 -6.553 -3.890 1.00 0.00 C ATOM 800 CD2 LEU A 54 -4.644 -4.110 -3.677 1.00 0.00 C ATOM 0 H LEU A 54 -6.189 -5.597 0.163 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.565 -3.361 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.828 -5.991 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.217 -4.777 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.408 -5.619 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.345 -6.738 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.582 -7.434 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.062 -6.341 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.705 -4.342 -4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.381 -3.792 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.482 -3.308 -2.957 1.00 0.00 H new ATOM 812 N THR A 55 -8.820 -3.689 -1.191 1.00 0.00 N ATOM 813 CA THR A 55 -10.067 -2.944 -1.194 1.00 0.00 C ATOM 814 C THR A 55 -9.976 -1.749 -0.242 1.00 0.00 C ATOM 815 O THR A 55 -10.586 -0.708 -0.486 1.00 0.00 O ATOM 816 CB THR A 55 -11.197 -3.913 -0.845 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.129 -4.907 -1.864 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.583 -3.288 -1.027 1.00 0.00 C ATOM 0 H THR A 55 -8.929 -4.703 -1.225 1.00 0.00 H new ATOM 0 HA THR A 55 -10.273 -2.522 -2.177 1.00 0.00 H new ATOM 0 HB THR A 55 -11.082 -4.247 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.827 -5.578 -1.714 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.349 -4.018 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.677 -2.416 -0.379 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.711 -2.984 -2.066 1.00 0.00 H new ATOM 826 N LYS A 56 -9.210 -1.938 0.822 1.00 0.00 N ATOM 827 CA LYS A 56 -9.031 -0.889 1.811 1.00 0.00 C ATOM 828 C LYS A 56 -8.658 0.415 1.103 1.00 0.00 C ATOM 829 O LYS A 56 -9.443 1.363 1.087 1.00 0.00 O ATOM 830 CB LYS A 56 -8.020 -1.321 2.874 1.00 0.00 C ATOM 831 CG LYS A 56 -8.455 -0.857 4.266 1.00 0.00 C ATOM 832 CD LYS A 56 -7.613 0.331 4.736 1.00 0.00 C ATOM 833 CE LYS A 56 -6.153 -0.080 4.941 1.00 0.00 C ATOM 834 NZ LYS A 56 -5.251 1.066 4.679 1.00 0.00 N ATOM 0 H LYS A 56 -8.706 -2.802 1.021 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.963 -0.707 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.918 -2.406 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.040 -0.906 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.508 -0.576 4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.357 -1.680 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.669 1.134 4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.019 0.723 5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.009 -0.438 5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.904 -0.906 4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.263 0.743 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.460 1.465 3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.397 1.796 5.406 1.00 0.00 H new ATOM 848 N PHE A 57 -7.462 0.422 0.535 1.00 0.00 N ATOM 849 CA PHE A 57 -6.976 1.595 -0.173 1.00 0.00 C ATOM 850 C PHE A 57 -7.344 1.531 -1.656 1.00 0.00 C ATOM 851 O PHE A 57 -7.736 2.537 -2.246 1.00 0.00 O ATOM 852 CB PHE A 57 -5.452 1.599 -0.037 1.00 0.00 C ATOM 853 CG PHE A 57 -4.801 0.237 -0.290 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.611 -0.200 -1.562 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.412 -0.535 0.761 1.00 0.00 C ATOM 856 CE1 PHE A 57 -4.007 -1.464 -1.797 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.808 -1.798 0.527 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.618 -2.236 -0.747 1.00 0.00 C ATOM 0 H PHE A 57 -6.814 -0.366 0.550 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.424 2.496 0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.037 2.324 -0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.188 1.936 0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.919 0.414 -2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.563 -0.187 1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.857 -1.812 -2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.499 -2.411 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.158 -3.197 -0.925 1.00 0.00 H new ATOM 868 N GLN A 58 -7.205 0.339 -2.217 1.00 0.00 N ATOM 869 CA GLN A 58 -7.518 0.131 -3.620 1.00 0.00 C ATOM 870 C GLN A 58 -8.936 0.619 -3.926 1.00 0.00 C ATOM 871 O GLN A 58 -9.185 1.185 -4.988 1.00 0.00 O ATOM 872 CB GLN A 58 -7.348 -1.338 -4.009 1.00 0.00 C ATOM 873 CG GLN A 58 -6.706 -1.470 -5.391 1.00 0.00 C ATOM 874 CD GLN A 58 -7.445 -2.504 -6.243 1.00 0.00 C ATOM 875 OE1 GLN A 58 -8.636 -2.407 -6.489 1.00 0.00 O ATOM 876 NE2 GLN A 58 -6.674 -3.497 -6.678 1.00 0.00 N ATOM 0 H GLN A 58 -6.880 -0.493 -1.725 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.817 0.714 -4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.730 -1.845 -3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -8.319 -1.833 -4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.717 -0.504 -5.895 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.661 -1.762 -5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.684 -3.518 -6.435 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.073 -4.238 -7.254 1.00 0.00 H new ATOM 885 N GLY A 59 -9.827 0.380 -2.975 1.00 0.00 N ATOM 886 CA GLY A 59 -11.214 0.787 -3.129 1.00 0.00 C ATOM 887 C GLY A 59 -11.334 2.311 -3.185 1.00 0.00 C ATOM 888 O GLY A 59 -11.906 2.857 -4.127 1.00 0.00 O ATOM 0 H GLY A 59 -9.616 -0.090 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.625 0.352 -4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.804 0.402 -2.297 1.00 0.00 H new ATOM 892 N LEU A 60 -10.786 2.954 -2.165 1.00 0.00 N ATOM 893 CA LEU A 60 -10.824 4.404 -2.086 1.00 0.00 C ATOM 894 C LEU A 60 -9.747 4.989 -3.001 1.00 0.00 C ATOM 895 O LEU A 60 -9.576 6.206 -3.066 1.00 0.00 O ATOM 896 CB LEU A 60 -10.713 4.865 -0.631 1.00 0.00 C ATOM 897 CG LEU A 60 -9.379 5.497 -0.229 1.00 0.00 C ATOM 898 CD1 LEU A 60 -9.488 7.022 -0.181 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.875 4.917 1.094 1.00 0.00 C ATOM 0 H LEU A 60 -10.313 2.497 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.783 4.780 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.507 5.586 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.896 4.007 0.016 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.640 5.250 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.526 7.447 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.770 7.398 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.245 7.310 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.925 5.383 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.605 5.113 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.735 3.841 0.990 1.00 0.00 H new ATOM 911 N GLN A 61 -9.048 4.096 -3.685 1.00 0.00 N ATOM 912 CA GLN A 61 -7.991 4.508 -4.593 1.00 0.00 C ATOM 913 C GLN A 61 -8.406 5.771 -5.351 1.00 0.00 C ATOM 914 O GLN A 61 -9.594 6.070 -5.463 1.00 0.00 O ATOM 915 CB GLN A 61 -7.630 3.381 -5.562 1.00 0.00 C ATOM 916 CG GLN A 61 -6.631 3.863 -6.616 1.00 0.00 C ATOM 917 CD GLN A 61 -6.031 2.683 -7.384 1.00 0.00 C ATOM 918 OE1 GLN A 61 -6.098 1.539 -6.965 1.00 0.00 O ATOM 919 NE2 GLN A 61 -5.442 3.024 -8.526 1.00 0.00 N ATOM 0 H GLN A 61 -9.193 3.088 -3.629 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.102 4.735 -4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.205 2.543 -5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.532 3.015 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.129 4.539 -7.312 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.835 4.431 -6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.422 4.001 -8.818 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.010 2.308 -9.111 1.00 0.00 H new ATOM 928 N GLY A 62 -7.404 6.479 -5.853 1.00 0.00 N ATOM 929 CA GLY A 62 -7.650 7.702 -6.596 1.00 0.00 C ATOM 930 C GLY A 62 -7.720 8.909 -5.660 1.00 0.00 C ATOM 931 O GLY A 62 -7.910 10.039 -6.109 1.00 0.00 O ATOM 0 H GLY A 62 -6.420 6.228 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.857 7.852 -7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.584 7.613 -7.150 1.00 0.00 H new ATOM 935 N ASP A 63 -7.564 8.630 -4.373 1.00 0.00 N ATOM 936 CA ASP A 63 -7.608 9.679 -3.370 1.00 0.00 C ATOM 937 C ASP A 63 -6.251 9.762 -2.666 1.00 0.00 C ATOM 938 O ASP A 63 -5.723 10.853 -2.458 1.00 0.00 O ATOM 939 CB ASP A 63 -8.671 9.383 -2.310 1.00 0.00 C ATOM 940 CG ASP A 63 -8.769 10.417 -1.185 1.00 0.00 C ATOM 941 OD1 ASP A 63 -7.923 10.339 -0.269 1.00 0.00 O ATOM 942 OD2 ASP A 63 -9.688 11.261 -1.269 1.00 0.00 O ATOM 0 H ASP A 63 -7.407 7.692 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.849 10.616 -3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.641 9.309 -2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.462 8.408 -1.870 1.00 0.00 H new ATOM 947 N LEU A 64 -5.727 8.596 -2.320 1.00 0.00 N ATOM 948 CA LEU A 64 -4.442 8.523 -1.646 1.00 0.00 C ATOM 949 C LEU A 64 -3.564 7.481 -2.341 1.00 0.00 C ATOM 950 O LEU A 64 -2.441 7.224 -1.909 1.00 0.00 O ATOM 951 CB LEU A 64 -4.637 8.265 -0.150 1.00 0.00 C ATOM 952 CG LEU A 64 -4.995 6.830 0.242 1.00 0.00 C ATOM 953 CD1 LEU A 64 -5.911 6.190 -0.803 1.00 0.00 C ATOM 954 CD2 LEU A 64 -3.736 5.997 0.488 1.00 0.00 C ATOM 0 H LEU A 64 -6.169 7.693 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.920 9.477 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.720 8.544 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.423 8.927 0.213 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.548 6.860 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.151 5.170 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.830 6.770 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.405 6.173 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.020 4.982 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.134 5.970 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.156 6.444 1.295 1.00 0.00 H new ATOM 966 N ILE A 65 -4.108 6.910 -3.405 1.00 0.00 N ATOM 967 CA ILE A 65 -3.388 5.901 -4.163 1.00 0.00 C ATOM 968 C ILE A 65 -3.215 6.382 -5.606 1.00 0.00 C ATOM 969 O ILE A 65 -4.195 6.545 -6.331 1.00 0.00 O ATOM 970 CB ILE A 65 -4.086 4.544 -4.047 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.996 4.003 -2.620 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.530 3.553 -5.071 1.00 0.00 C ATOM 973 CD1 ILE A 65 -2.815 3.042 -2.469 1.00 0.00 C ATOM 0 H ILE A 65 -5.039 7.127 -3.760 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.389 5.756 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.143 4.682 -4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.887 4.831 -1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.922 3.489 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.043 2.597 -4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.688 3.942 -6.077 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.463 3.413 -4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.775 2.673 -1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.939 2.202 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.888 3.565 -2.702 1.00 0.00 H new ATOM 985 N ASP A 66 -1.961 6.595 -5.978 1.00 0.00 N ATOM 986 CA ASP A 66 -1.647 7.054 -7.320 1.00 0.00 C ATOM 987 C ASP A 66 -1.570 5.849 -8.261 1.00 0.00 C ATOM 988 O ASP A 66 -1.966 5.938 -9.422 1.00 0.00 O ATOM 989 CB ASP A 66 -0.295 7.768 -7.356 1.00 0.00 C ATOM 990 CG ASP A 66 -0.290 9.107 -8.097 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.391 9.678 -8.244 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.816 9.528 -8.500 1.00 0.00 O ATOM 0 H ASP A 66 -1.151 6.458 -5.373 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.429 7.747 -7.631 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.038 7.936 -6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.435 7.108 -7.824 1.00 0.00 H new ATOM 997 N SER A 67 -1.058 4.752 -7.724 1.00 0.00 N ATOM 998 CA SER A 67 -0.925 3.531 -8.502 1.00 0.00 C ATOM 999 C SER A 67 -0.858 2.321 -7.568 1.00 0.00 C ATOM 1000 O SER A 67 -0.400 2.433 -6.432 1.00 0.00 O ATOM 1001 CB SER A 67 0.316 3.580 -9.396 1.00 0.00 C ATOM 1002 OG SER A 67 0.265 4.664 -10.320 1.00 0.00 O ATOM 0 H SER A 67 -0.730 4.682 -6.761 1.00 0.00 H new ATOM 0 HA SER A 67 -1.800 3.438 -9.145 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.207 3.674 -8.775 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.406 2.641 -9.943 1.00 0.00 H new ATOM 0 HG SER A 67 1.075 4.662 -10.871 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.321 1.191 -8.082 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.320 -0.039 -7.309 1.00 0.00 C ATOM 1010 C ILE A 68 -0.927 -1.207 -8.216 1.00 0.00 C ATOM 1011 O ILE A 68 -1.437 -1.332 -9.328 1.00 0.00 O ATOM 1012 CB ILE A 68 -2.666 -0.232 -6.607 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.476 -0.836 -5.214 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.619 -1.063 -7.468 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -2.866 0.165 -4.124 1.00 0.00 C ATOM 0 H ILE A 68 -1.700 1.102 -9.025 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.576 0.012 -6.514 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.125 0.747 -6.473 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.082 -1.737 -5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.436 -1.136 -5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.568 -1.185 -6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.790 -0.554 -8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.179 -2.043 -7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.722 -0.290 -3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.242 1.055 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.913 0.444 -4.244 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.023 -2.031 -7.707 1.00 0.00 N ATOM 1028 CA GLU A 69 0.445 -3.184 -8.458 1.00 0.00 C ATOM 1029 C GLU A 69 0.332 -4.452 -7.608 1.00 0.00 C ATOM 1030 O GLU A 69 1.314 -4.894 -7.014 1.00 0.00 O ATOM 1031 CB GLU A 69 1.880 -2.976 -8.943 1.00 0.00 C ATOM 1032 CG GLU A 69 2.206 -3.914 -10.108 1.00 0.00 C ATOM 1033 CD GLU A 69 3.209 -3.270 -11.067 1.00 0.00 C ATOM 1034 OE1 GLU A 69 2.880 -2.179 -11.584 1.00 0.00 O ATOM 1035 OE2 GLU A 69 4.282 -3.880 -11.261 1.00 0.00 O ATOM 0 H GLU A 69 0.398 -1.923 -6.784 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.188 -3.302 -9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.016 -1.941 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.575 -3.154 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.614 -4.849 -9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.291 -4.163 -10.646 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.874 -5.000 -7.577 1.00 0.00 N ATOM 1043 CA GLU A 70 -1.128 -6.208 -6.811 1.00 0.00 C ATOM 1044 C GLU A 70 -0.459 -7.410 -7.478 1.00 0.00 C ATOM 1045 O GLU A 70 -0.578 -7.600 -8.688 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.630 -6.442 -6.638 1.00 0.00 C ATOM 1047 CG GLU A 70 -2.947 -7.936 -6.559 1.00 0.00 C ATOM 1048 CD GLU A 70 -4.447 -8.170 -6.368 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -5.218 -7.590 -7.162 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -4.789 -8.923 -5.431 1.00 0.00 O ATOM 0 H GLU A 70 -1.686 -4.629 -8.070 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.697 -6.082 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.977 -5.945 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.170 -5.996 -7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.611 -8.431 -7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.397 -8.385 -5.732 1.00 0.00 H new ATOM 1057 N ASP A 71 0.230 -8.193 -6.661 1.00 0.00 N ATOM 1058 CA ASP A 71 0.918 -9.372 -7.157 1.00 0.00 C ATOM 1059 C ASP A 71 0.616 -10.559 -6.238 1.00 0.00 C ATOM 1060 O ASP A 71 1.265 -11.598 -6.328 1.00 0.00 O ATOM 1061 CB ASP A 71 2.433 -9.161 -7.172 1.00 0.00 C ATOM 1062 CG ASP A 71 3.189 -9.971 -8.227 1.00 0.00 C ATOM 1063 OD1 ASP A 71 2.666 -11.043 -8.601 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.273 -9.501 -8.635 1.00 0.00 O ATOM 0 H ASP A 71 0.326 -8.034 -5.658 1.00 0.00 H new ATOM 0 HA ASP A 71 0.570 -9.562 -8.172 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.636 -8.102 -7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.830 -9.414 -6.189 1.00 0.00 H new ATOM 1069 N GLY A 72 -0.370 -10.361 -5.376 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.767 -11.402 -4.442 1.00 0.00 C ATOM 1071 C GLY A 72 -2.085 -12.049 -4.870 1.00 0.00 C ATOM 1072 O GLY A 72 -2.963 -11.379 -5.409 1.00 0.00 O ATOM 0 H GLY A 72 -0.906 -9.496 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.013 -12.161 -4.385 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.873 -10.978 -3.443 1.00 0.00 H new