USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 603 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.0922 (180deg=-0.2) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 40:sc= 0.447 USER MOD Single : A 15 LYS NZ :NH3+ -114:sc= -0.75 (180deg=-2.44!) USER MOD Single : A 16 LYS NZ :NH3+ -144:sc= -0.0795 (180deg=-0.727) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0574 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 28 ASN : amide:sc= -0.333 K(o=-0.33,f=-2.2!) USER MOD Single : A 30 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.66) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 61:sc= 0.0672 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -2.68 (180deg=-3.41!) USER MOD Single : A 48 MET CE :methyl 161:sc= -2.87! (180deg=-3.39!) USER MOD Single : A 52 ASN : amide:sc= -0.0415 X(o=-0.042,f=-0.24) USER MOD Single : A 55 SER OG : rot 180:sc= -0.216 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 96:sc= 1.05 USER MOD Single : A 69 SER OG : rot 180:sc= -0.259 USER MOD Single : A 70 MET CE :methyl -173:sc= -1.25 (180deg=-1.39) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.111 2.326 -2.702 1.00 0.00 N ATOM 2 CA MET A 1 -22.418 3.751 -3.011 1.00 0.00 C ATOM 3 C MET A 1 -21.117 4.557 -3.042 1.00 0.00 C ATOM 4 O MET A 1 -21.127 5.771 -2.997 1.00 0.00 O ATOM 5 CB MET A 1 -23.345 4.317 -1.932 1.00 0.00 C ATOM 6 CG MET A 1 -24.760 3.772 -2.137 1.00 0.00 C ATOM 7 SD MET A 1 -25.879 5.136 -2.546 1.00 0.00 S ATOM 8 CE MET A 1 -27.356 4.135 -2.850 1.00 0.00 C ATOM 0 H1 MET A 1 -22.999 1.798 -2.580 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.566 1.911 -3.484 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.554 2.273 -1.825 1.00 0.00 H new ATOM 0 HA MET A 1 -22.909 3.816 -3.982 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.978 4.043 -0.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.353 5.406 -1.979 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.764 3.032 -2.937 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.101 3.266 -1.234 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.187 4.786 -3.123 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.161 3.436 -3.663 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.612 3.580 -1.947 1.00 0.00 H new ATOM 20 N THR A 2 -19.998 3.890 -3.119 1.00 0.00 N ATOM 21 CA THR A 2 -18.697 4.616 -3.154 1.00 0.00 C ATOM 22 C THR A 2 -18.461 5.170 -4.562 1.00 0.00 C ATOM 23 O THR A 2 -18.965 4.649 -5.537 1.00 0.00 O ATOM 24 CB THR A 2 -17.565 3.653 -2.788 1.00 0.00 C ATOM 25 OG1 THR A 2 -17.548 2.571 -3.707 1.00 0.00 O ATOM 26 CG2 THR A 2 -17.786 3.118 -1.371 1.00 0.00 C ATOM 0 H THR A 2 -19.929 2.873 -3.159 1.00 0.00 H new ATOM 0 HA THR A 2 -18.720 5.438 -2.438 1.00 0.00 H new ATOM 0 HB THR A 2 -16.612 4.180 -2.831 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.822 1.955 -3.474 1.00 0.00 H new ATOM 0 HG21 THR A 2 -16.980 2.432 -1.111 1.00 0.00 H new ATOM 0 HG22 THR A 2 -17.797 3.949 -0.666 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.739 2.591 -1.326 1.00 0.00 H new ATOM 34 N PHE A 3 -17.699 6.223 -4.677 1.00 0.00 N ATOM 35 CA PHE A 3 -17.433 6.808 -6.021 1.00 0.00 C ATOM 36 C PHE A 3 -16.276 7.806 -5.924 1.00 0.00 C ATOM 37 O PHE A 3 -16.360 8.917 -6.410 1.00 0.00 O ATOM 38 CB PHE A 3 -18.688 7.526 -6.521 1.00 0.00 C ATOM 39 CG PHE A 3 -18.883 7.235 -7.989 1.00 0.00 C ATOM 40 CD1 PHE A 3 -18.181 7.974 -8.950 1.00 0.00 C ATOM 41 CD2 PHE A 3 -19.766 6.226 -8.391 1.00 0.00 C ATOM 42 CE1 PHE A 3 -18.362 7.703 -10.311 1.00 0.00 C ATOM 43 CE2 PHE A 3 -19.947 5.955 -9.752 1.00 0.00 C ATOM 44 CZ PHE A 3 -19.245 6.694 -10.713 1.00 0.00 C ATOM 0 H PHE A 3 -17.249 6.703 -3.898 1.00 0.00 H new ATOM 0 HA PHE A 3 -17.168 6.013 -6.718 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -19.559 7.195 -5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -18.593 8.600 -6.362 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -17.500 8.753 -8.641 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -20.308 5.656 -7.651 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -17.820 8.273 -11.051 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -20.628 5.176 -10.061 1.00 0.00 H new ATOM 0 HZ PHE A 3 -19.385 6.485 -11.763 1.00 0.00 H new ATOM 54 N ILE A 4 -15.197 7.419 -5.301 1.00 0.00 N ATOM 55 CA ILE A 4 -14.035 8.344 -5.173 1.00 0.00 C ATOM 56 C ILE A 4 -14.489 9.654 -4.524 1.00 0.00 C ATOM 57 O ILE A 4 -14.521 10.692 -5.155 1.00 0.00 O ATOM 58 CB ILE A 4 -13.457 8.634 -6.560 1.00 0.00 C ATOM 59 CG1 ILE A 4 -12.811 7.364 -7.116 1.00 0.00 C ATOM 60 CG2 ILE A 4 -12.402 9.736 -6.454 1.00 0.00 C ATOM 61 CD1 ILE A 4 -13.878 6.504 -7.795 1.00 0.00 C ATOM 0 H ILE A 4 -15.069 6.501 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 4 -13.270 7.879 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 4 -14.256 8.960 -7.226 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -12.029 7.624 -7.830 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -12.335 6.803 -6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -11.991 9.942 -7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -12.860 10.641 -6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -11.602 9.411 -5.789 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.418 5.599 -8.191 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -14.644 6.233 -7.068 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -14.334 7.066 -8.610 1.00 0.00 H new ATOM 73 N THR A 5 -14.836 9.616 -3.266 1.00 0.00 N ATOM 74 CA THR A 5 -15.280 10.859 -2.576 1.00 0.00 C ATOM 75 C THR A 5 -14.127 11.408 -1.734 1.00 0.00 C ATOM 76 O THR A 5 -14.139 12.546 -1.311 1.00 0.00 O ATOM 77 CB THR A 5 -16.470 10.542 -1.666 1.00 0.00 C ATOM 78 OG1 THR A 5 -17.027 9.288 -2.039 1.00 0.00 O ATOM 79 CG2 THR A 5 -17.530 11.636 -1.806 1.00 0.00 C ATOM 0 H THR A 5 -14.831 8.777 -2.686 1.00 0.00 H new ATOM 0 HA THR A 5 -15.579 11.601 -3.317 1.00 0.00 H new ATOM 0 HB THR A 5 -16.134 10.498 -0.630 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.788 9.082 -1.457 1.00 0.00 H new ATOM 0 HG21 THR A 5 -18.376 11.408 -1.157 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.102 12.597 -1.520 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.869 11.684 -2.841 1.00 0.00 H new ATOM 87 N LYS A 6 -13.129 10.603 -1.487 1.00 0.00 N ATOM 88 CA LYS A 6 -11.971 11.073 -0.676 1.00 0.00 C ATOM 89 C LYS A 6 -10.849 10.034 -0.749 1.00 0.00 C ATOM 90 O LYS A 6 -11.085 8.868 -0.988 1.00 0.00 O ATOM 91 CB LYS A 6 -12.407 11.255 0.780 1.00 0.00 C ATOM 92 CG LYS A 6 -12.628 9.884 1.424 1.00 0.00 C ATOM 93 CD LYS A 6 -14.028 9.829 2.038 1.00 0.00 C ATOM 94 CE LYS A 6 -14.153 8.583 2.915 1.00 0.00 C ATOM 95 NZ LYS A 6 -14.747 7.472 2.119 1.00 0.00 N ATOM 0 H LYS A 6 -13.066 9.638 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.613 12.025 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.647 11.809 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.325 11.842 0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.515 9.097 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.875 9.705 2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.211 10.724 2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.781 9.809 1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.173 8.291 3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.777 8.797 3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.832 6.624 2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.689 7.753 1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.135 7.262 1.305 1.00 0.00 H new ATOM 109 N THR A 7 -9.629 10.450 -0.550 1.00 0.00 N ATOM 110 CA THR A 7 -8.496 9.484 -0.614 1.00 0.00 C ATOM 111 C THR A 7 -8.714 8.369 0.418 1.00 0.00 C ATOM 112 O THR A 7 -8.832 8.639 1.596 1.00 0.00 O ATOM 113 CB THR A 7 -7.188 10.216 -0.301 1.00 0.00 C ATOM 114 OG1 THR A 7 -7.327 10.930 0.919 1.00 0.00 O ATOM 115 CG2 THR A 7 -6.867 11.193 -1.433 1.00 0.00 C ATOM 0 H THR A 7 -9.368 11.415 -0.346 1.00 0.00 H new ATOM 0 HA THR A 7 -8.444 9.050 -1.612 1.00 0.00 H new ATOM 0 HB THR A 7 -6.378 9.492 -0.208 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.832 10.387 1.560 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.936 11.714 -1.211 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.761 10.644 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.675 11.918 -1.528 1.00 0.00 H new ATOM 123 N PRO A 8 -8.756 7.145 -0.052 1.00 0.00 N ATOM 124 CA PRO A 8 -8.954 5.970 0.817 1.00 0.00 C ATOM 125 C PRO A 8 -7.648 5.618 1.541 1.00 0.00 C ATOM 126 O PRO A 8 -6.623 6.220 1.293 1.00 0.00 O ATOM 127 CB PRO A 8 -9.356 4.864 -0.163 1.00 0.00 C ATOM 128 CG PRO A 8 -8.831 5.295 -1.551 1.00 0.00 C ATOM 129 CD PRO A 8 -8.612 6.817 -1.486 1.00 0.00 C ATOM 0 HA PRO A 8 -9.699 6.130 1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.926 3.907 0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.438 4.736 -0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.901 4.780 -1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.547 5.040 -2.332 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.626 7.094 -1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.344 7.351 -2.092 1.00 0.00 H new ATOM 137 N PRO A 9 -7.729 4.651 2.419 1.00 0.00 N ATOM 138 CA PRO A 9 -6.566 4.192 3.200 1.00 0.00 C ATOM 139 C PRO A 9 -5.663 3.305 2.339 1.00 0.00 C ATOM 140 O PRO A 9 -6.120 2.623 1.448 1.00 0.00 O ATOM 141 CB PRO A 9 -7.195 3.393 4.344 1.00 0.00 C ATOM 142 CG PRO A 9 -8.601 2.965 3.857 1.00 0.00 C ATOM 143 CD PRO A 9 -8.982 3.924 2.713 1.00 0.00 C ATOM 0 HA PRO A 9 -5.936 5.007 3.556 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.587 2.522 4.589 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.265 3.998 5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.593 1.932 3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.326 3.023 4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.341 3.380 1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.778 4.606 3.013 1.00 0.00 H new ATOM 151 N ALA A 10 -4.384 3.313 2.596 1.00 0.00 N ATOM 152 CA ALA A 10 -3.462 2.469 1.784 1.00 0.00 C ATOM 153 C ALA A 10 -3.736 0.990 2.067 1.00 0.00 C ATOM 154 O ALA A 10 -3.332 0.121 1.321 1.00 0.00 O ATOM 155 CB ALA A 10 -2.013 2.799 2.150 1.00 0.00 C ATOM 0 H ALA A 10 -3.939 3.865 3.329 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.625 2.671 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.338 2.182 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.817 3.852 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.851 2.599 3.209 1.00 0.00 H new ATOM 161 N ALA A 11 -4.417 0.696 3.139 1.00 0.00 N ATOM 162 CA ALA A 11 -4.711 -0.729 3.463 1.00 0.00 C ATOM 163 C ALA A 11 -5.808 -1.252 2.534 1.00 0.00 C ATOM 164 O ALA A 11 -6.147 -2.419 2.556 1.00 0.00 O ATOM 165 CB ALA A 11 -5.179 -0.834 4.916 1.00 0.00 C ATOM 0 H ALA A 11 -4.782 1.378 3.804 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.809 -1.325 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.394 -1.876 5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.396 -0.465 5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.081 -0.237 5.052 1.00 0.00 H new ATOM 171 N VAL A 12 -6.371 -0.399 1.719 1.00 0.00 N ATOM 172 CA VAL A 12 -7.446 -0.854 0.796 1.00 0.00 C ATOM 173 C VAL A 12 -6.930 -0.839 -0.647 1.00 0.00 C ATOM 174 O VAL A 12 -7.290 -1.673 -1.453 1.00 0.00 O ATOM 175 CB VAL A 12 -8.658 0.078 0.934 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.472 1.329 0.068 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.916 -0.661 0.483 1.00 0.00 C ATOM 0 H VAL A 12 -6.132 0.590 1.654 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.743 -1.871 1.051 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.754 0.380 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.340 1.979 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.576 1.862 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.367 1.036 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.779 -0.002 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.806 -0.965 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.062 -1.544 1.105 1.00 0.00 H new ATOM 187 N LEU A 13 -6.096 0.108 -0.979 1.00 0.00 N ATOM 188 CA LEU A 13 -5.564 0.179 -2.369 1.00 0.00 C ATOM 189 C LEU A 13 -4.374 -0.768 -2.514 1.00 0.00 C ATOM 190 O LEU A 13 -4.291 -1.530 -3.454 1.00 0.00 O ATOM 191 CB LEU A 13 -5.112 1.609 -2.671 1.00 0.00 C ATOM 192 CG LEU A 13 -6.324 2.542 -2.662 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.849 3.994 -2.744 1.00 0.00 C ATOM 194 CD2 LEU A 13 -7.215 2.231 -3.867 1.00 0.00 C ATOM 0 H LEU A 13 -5.760 0.835 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.347 -0.113 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.383 1.935 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.618 1.648 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.890 2.394 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.712 4.660 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.212 4.217 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.284 4.141 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.079 2.895 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.649 2.380 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.553 1.196 -3.812 1.00 0.00 H new ATOM 206 N LEU A 14 -3.451 -0.726 -1.595 1.00 0.00 N ATOM 207 CA LEU A 14 -2.270 -1.627 -1.691 1.00 0.00 C ATOM 208 C LEU A 14 -2.742 -3.049 -2.002 1.00 0.00 C ATOM 209 O LEU A 14 -2.385 -3.625 -3.011 1.00 0.00 O ATOM 210 CB LEU A 14 -1.509 -1.613 -0.365 1.00 0.00 C ATOM 211 CG LEU A 14 -0.924 -0.218 -0.132 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.002 -0.247 1.086 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.129 0.212 -1.367 1.00 0.00 C ATOM 0 H LEU A 14 -3.463 -0.108 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.610 -1.283 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.177 -1.881 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.712 -2.356 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.733 0.490 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.418 0.747 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.564 -0.554 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.812 -0.955 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.289 1.205 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.680 -0.497 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.788 0.234 -2.235 1.00 0.00 H new ATOM 225 N LYS A 15 -3.545 -3.618 -1.148 1.00 0.00 N ATOM 226 CA LYS A 15 -4.043 -5.000 -1.401 1.00 0.00 C ATOM 227 C LYS A 15 -4.617 -5.082 -2.818 1.00 0.00 C ATOM 228 O LYS A 15 -4.517 -6.096 -3.481 1.00 0.00 O ATOM 229 CB LYS A 15 -5.141 -5.338 -0.389 1.00 0.00 C ATOM 230 CG LYS A 15 -4.552 -6.182 0.742 1.00 0.00 C ATOM 231 CD LYS A 15 -5.661 -7.023 1.380 1.00 0.00 C ATOM 232 CE LYS A 15 -6.860 -6.129 1.699 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.872 -6.251 0.611 1.00 0.00 N ATOM 0 H LYS A 15 -3.879 -3.187 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.221 -5.708 -1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.573 -4.422 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.948 -5.882 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.766 -6.830 0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.093 -5.537 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.960 -7.823 0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.295 -7.497 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.300 -6.418 2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.539 -5.092 1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.955 -5.343 0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.575 -6.989 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.793 -6.506 1.021 1.00 0.00 H new ATOM 247 N LYS A 16 -5.222 -4.024 -3.284 1.00 0.00 N ATOM 248 CA LYS A 16 -5.810 -4.041 -4.654 1.00 0.00 C ATOM 249 C LYS A 16 -4.704 -4.226 -5.697 1.00 0.00 C ATOM 250 O LYS A 16 -4.848 -4.982 -6.638 1.00 0.00 O ATOM 251 CB LYS A 16 -6.538 -2.720 -4.914 1.00 0.00 C ATOM 252 CG LYS A 16 -7.334 -2.824 -6.218 1.00 0.00 C ATOM 253 CD LYS A 16 -6.961 -1.663 -7.141 1.00 0.00 C ATOM 254 CE LYS A 16 -8.132 -0.680 -7.227 1.00 0.00 C ATOM 255 NZ LYS A 16 -7.776 0.581 -6.520 1.00 0.00 N ATOM 0 H LYS A 16 -5.335 -3.147 -2.775 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.514 -4.869 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.207 -2.492 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.819 -1.903 -4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.124 -3.774 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.403 -2.804 -6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.074 -1.155 -6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.715 -2.039 -8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.368 -0.470 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.024 -1.120 -6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.619 0.963 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.039 0.386 -5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.420 1.276 -7.207 1.00 0.00 H new ATOM 269 N ALA A 17 -3.603 -3.542 -5.544 1.00 0.00 N ATOM 270 CA ALA A 17 -2.495 -3.680 -6.531 1.00 0.00 C ATOM 271 C ALA A 17 -1.995 -5.126 -6.544 1.00 0.00 C ATOM 272 O ALA A 17 -1.824 -5.724 -7.587 1.00 0.00 O ATOM 273 CB ALA A 17 -1.347 -2.748 -6.140 1.00 0.00 C ATOM 0 H ALA A 17 -3.423 -2.893 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.859 -3.415 -7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.536 -2.848 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.701 -1.717 -6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.985 -3.014 -5.147 1.00 0.00 H new ATOM 279 N ALA A 18 -1.757 -5.693 -5.393 1.00 0.00 N ATOM 280 CA ALA A 18 -1.268 -7.100 -5.343 1.00 0.00 C ATOM 281 C ALA A 18 -2.212 -7.998 -6.144 1.00 0.00 C ATOM 282 O ALA A 18 -1.789 -8.768 -6.983 1.00 0.00 O ATOM 283 CB ALA A 18 -1.225 -7.574 -3.889 1.00 0.00 C ATOM 0 H ALA A 18 -1.880 -5.243 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.267 -7.151 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.867 -8.603 -3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.551 -6.935 -3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.226 -7.522 -3.460 1.00 0.00 H new ATOM 289 N GLY A 19 -3.487 -7.906 -5.890 1.00 0.00 N ATOM 290 CA GLY A 19 -4.458 -8.757 -6.634 1.00 0.00 C ATOM 291 C GLY A 19 -4.945 -9.885 -5.724 1.00 0.00 C ATOM 292 O GLY A 19 -5.492 -10.871 -6.178 1.00 0.00 O ATOM 0 H GLY A 19 -3.899 -7.279 -5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.303 -8.156 -6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.987 -9.171 -7.525 1.00 0.00 H new ATOM 296 N ILE A 20 -4.749 -9.749 -4.442 1.00 0.00 N ATOM 297 CA ILE A 20 -5.198 -10.812 -3.500 1.00 0.00 C ATOM 298 C ILE A 20 -6.720 -10.934 -3.554 1.00 0.00 C ATOM 299 O ILE A 20 -7.259 -11.933 -3.987 1.00 0.00 O ATOM 300 CB ILE A 20 -4.765 -10.447 -2.079 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.239 -10.351 -2.023 1.00 0.00 C ATOM 302 CG2 ILE A 20 -5.244 -11.525 -1.106 1.00 0.00 C ATOM 303 CD1 ILE A 20 -2.833 -8.962 -1.528 1.00 0.00 C ATOM 0 H ILE A 20 -4.296 -8.946 -4.005 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.749 -11.763 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.202 -9.488 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.840 -11.117 -1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.816 -10.535 -3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.935 -11.265 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.331 -11.595 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.808 -12.485 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.746 -8.893 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.220 -8.205 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.244 -8.796 -0.532 1.00 0.00 H new ATOM 315 N GLU A 21 -7.416 -9.924 -3.116 1.00 0.00 N ATOM 316 CA GLU A 21 -8.906 -9.976 -3.139 1.00 0.00 C ATOM 317 C GLU A 21 -9.385 -11.211 -2.376 1.00 0.00 C ATOM 318 O GLU A 21 -9.925 -12.136 -2.949 1.00 0.00 O ATOM 319 CB GLU A 21 -9.391 -10.055 -4.587 1.00 0.00 C ATOM 320 CG GLU A 21 -9.802 -8.661 -5.065 1.00 0.00 C ATOM 321 CD GLU A 21 -10.572 -8.780 -6.381 1.00 0.00 C ATOM 322 OE1 GLU A 21 -9.930 -8.892 -7.413 1.00 0.00 O ATOM 323 OE2 GLU A 21 -11.791 -8.759 -6.335 1.00 0.00 O ATOM 0 H GLU A 21 -7.018 -9.062 -2.742 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.307 -9.078 -2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.601 -10.451 -5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.235 -10.740 -4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.421 -8.174 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.919 -8.037 -5.203 1.00 0.00 H new ATOM 330 N SER A 22 -9.192 -11.237 -1.086 1.00 0.00 N ATOM 331 CA SER A 22 -9.635 -12.416 -0.291 1.00 0.00 C ATOM 332 C SER A 22 -11.009 -12.137 0.324 1.00 0.00 C ATOM 333 O SER A 22 -11.116 -11.679 1.444 1.00 0.00 O ATOM 334 CB SER A 22 -8.623 -12.688 0.820 1.00 0.00 C ATOM 335 OG SER A 22 -7.789 -11.550 0.985 1.00 0.00 O ATOM 0 H SER A 22 -8.747 -10.493 -0.549 1.00 0.00 H new ATOM 0 HA SER A 22 -9.704 -13.287 -0.943 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.141 -12.912 1.753 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.020 -13.562 0.573 1.00 0.00 H new ATOM 0 HG SER A 22 -7.140 -11.721 1.699 1.00 0.00 H new ATOM 341 N GLY A 23 -12.059 -12.416 -0.398 1.00 0.00 N ATOM 342 CA GLY A 23 -13.424 -12.173 0.146 1.00 0.00 C ATOM 343 C GLY A 23 -14.079 -13.512 0.489 1.00 0.00 C ATOM 344 O GLY A 23 -15.286 -13.629 0.546 1.00 0.00 O ATOM 0 H GLY A 23 -12.030 -12.802 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.367 -11.545 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.029 -11.636 -0.585 1.00 0.00 H new ATOM 348 N SER A 24 -13.289 -14.526 0.715 1.00 0.00 N ATOM 349 CA SER A 24 -13.863 -15.860 1.051 1.00 0.00 C ATOM 350 C SER A 24 -13.822 -16.071 2.566 1.00 0.00 C ATOM 351 O SER A 24 -13.674 -15.136 3.329 1.00 0.00 O ATOM 352 CB SER A 24 -13.046 -16.954 0.363 1.00 0.00 C ATOM 353 OG SER A 24 -12.159 -16.359 -0.574 1.00 0.00 O ATOM 0 H SER A 24 -12.270 -14.488 0.681 1.00 0.00 H new ATOM 0 HA SER A 24 -14.896 -15.905 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.483 -17.523 1.103 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.709 -17.656 -0.142 1.00 0.00 H new ATOM 0 HG SER A 24 -11.633 -17.058 -1.015 1.00 0.00 H new ATOM 359 N GLY A 25 -13.950 -17.292 3.007 1.00 0.00 N ATOM 360 CA GLY A 25 -13.919 -17.564 4.472 1.00 0.00 C ATOM 361 C GLY A 25 -12.510 -17.994 4.883 1.00 0.00 C ATOM 362 O GLY A 25 -12.282 -18.426 5.996 1.00 0.00 O ATOM 0 H GLY A 25 -14.075 -18.114 2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.214 -16.672 5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.636 -18.345 4.723 1.00 0.00 H new ATOM 366 N GLU A 26 -11.562 -17.881 3.993 1.00 0.00 N ATOM 367 CA GLU A 26 -10.168 -18.284 4.333 1.00 0.00 C ATOM 368 C GLU A 26 -10.174 -19.699 4.921 1.00 0.00 C ATOM 369 O GLU A 26 -9.823 -19.893 6.068 1.00 0.00 O ATOM 370 CB GLU A 26 -9.592 -17.306 5.359 1.00 0.00 C ATOM 371 CG GLU A 26 -9.300 -15.967 4.679 1.00 0.00 C ATOM 372 CD GLU A 26 -8.074 -16.111 3.775 1.00 0.00 C ATOM 373 OE1 GLU A 26 -7.405 -17.126 3.875 1.00 0.00 O ATOM 374 OE2 GLU A 26 -7.827 -15.204 2.997 1.00 0.00 O ATOM 0 H GLU A 26 -11.693 -17.527 3.045 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.554 -18.269 3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.297 -17.164 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.678 -17.713 5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.162 -15.649 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.123 -15.197 5.430 1.00 0.00 H new ATOM 381 N PRO A 27 -10.575 -20.645 4.111 1.00 0.00 N ATOM 382 CA PRO A 27 -10.642 -22.061 4.513 1.00 0.00 C ATOM 383 C PRO A 27 -9.251 -22.693 4.476 1.00 0.00 C ATOM 384 O PRO A 27 -8.841 -23.376 5.394 1.00 0.00 O ATOM 385 CB PRO A 27 -11.554 -22.691 3.458 1.00 0.00 C ATOM 386 CG PRO A 27 -11.494 -21.763 2.220 1.00 0.00 C ATOM 387 CD PRO A 27 -11.000 -20.392 2.718 1.00 0.00 C ATOM 0 HA PRO A 27 -11.012 -22.201 5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.219 -23.697 3.206 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.575 -22.778 3.829 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.819 -22.167 1.466 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.476 -21.675 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -10.174 -20.021 2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.791 -19.643 2.672 1.00 0.00 H new ATOM 395 N ASN A 28 -8.524 -22.471 3.419 1.00 0.00 N ATOM 396 CA ASN A 28 -7.158 -23.057 3.313 1.00 0.00 C ATOM 397 C ASN A 28 -6.495 -22.574 2.022 1.00 0.00 C ATOM 398 O ASN A 28 -5.747 -23.293 1.390 1.00 0.00 O ATOM 399 CB ASN A 28 -7.260 -24.583 3.293 1.00 0.00 C ATOM 400 CG ASN A 28 -5.894 -25.190 3.618 1.00 0.00 C ATOM 401 OD1 ASN A 28 -5.094 -24.582 4.301 1.00 0.00 O ATOM 402 ND2 ASN A 28 -5.592 -26.371 3.155 1.00 0.00 N ATOM 0 H ASN A 28 -8.817 -21.907 2.621 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.560 -22.743 4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.001 -24.918 4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.597 -24.923 2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.684 -26.785 3.366 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.264 -26.881 2.582 1.00 0.00 H new ATOM 409 N ARG A 29 -6.763 -21.360 1.624 1.00 0.00 N ATOM 410 CA ARG A 29 -6.147 -20.831 0.375 1.00 0.00 C ATOM 411 C ARG A 29 -4.821 -20.150 0.709 1.00 0.00 C ATOM 412 O ARG A 29 -3.814 -20.376 0.068 1.00 0.00 O ATOM 413 CB ARG A 29 -7.093 -19.817 -0.271 1.00 0.00 C ATOM 414 CG ARG A 29 -6.443 -19.245 -1.531 1.00 0.00 C ATOM 415 CD ARG A 29 -6.611 -20.232 -2.686 1.00 0.00 C ATOM 416 NE ARG A 29 -5.757 -19.807 -3.831 1.00 0.00 N ATOM 417 CZ ARG A 29 -5.143 -20.702 -4.553 1.00 0.00 C ATOM 418 NH1 ARG A 29 -4.147 -21.377 -4.048 1.00 0.00 N ATOM 419 NH2 ARG A 29 -5.525 -20.926 -5.780 1.00 0.00 N ATOM 0 H ARG A 29 -7.382 -20.712 2.110 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.968 -21.653 -0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.040 -20.295 -0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.318 -19.015 0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.900 -18.289 -1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.385 -19.055 -1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.333 -21.236 -2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.656 -20.274 -2.994 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.653 -18.816 -4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.849 -21.204 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.667 -22.077 -4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.305 -20.401 -6.175 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.044 -21.627 -6.344 1.00 0.00 H new ATOM 433 N ASN A 30 -4.815 -19.316 1.709 1.00 0.00 N ATOM 434 CA ASN A 30 -3.557 -18.617 2.093 1.00 0.00 C ATOM 435 C ASN A 30 -2.905 -18.011 0.846 1.00 0.00 C ATOM 436 O ASN A 30 -3.197 -16.896 0.461 1.00 0.00 O ATOM 437 CB ASN A 30 -2.595 -19.616 2.737 1.00 0.00 C ATOM 438 CG ASN A 30 -1.240 -18.944 2.970 1.00 0.00 C ATOM 439 OD1 ASN A 30 -1.127 -18.036 3.768 1.00 0.00 O ATOM 440 ND2 ASN A 30 -0.199 -19.356 2.299 1.00 0.00 N ATOM 0 H ASN A 30 -5.629 -19.087 2.279 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.786 -17.823 2.804 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.003 -19.972 3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.475 -20.487 2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.709 -18.915 2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.294 -20.119 1.629 1.00 0.00 H new ATOM 447 N LYS A 31 -2.024 -18.737 0.214 1.00 0.00 N ATOM 448 CA LYS A 31 -1.352 -18.204 -1.004 1.00 0.00 C ATOM 449 C LYS A 31 -0.681 -16.870 -0.673 1.00 0.00 C ATOM 450 O LYS A 31 -1.305 -15.828 -0.688 1.00 0.00 O ATOM 451 CB LYS A 31 -2.388 -17.995 -2.112 1.00 0.00 C ATOM 452 CG LYS A 31 -1.685 -17.997 -3.471 1.00 0.00 C ATOM 453 CD LYS A 31 -2.731 -17.965 -4.588 1.00 0.00 C ATOM 454 CE LYS A 31 -2.624 -16.643 -5.350 1.00 0.00 C ATOM 455 NZ LYS A 31 -3.797 -16.497 -6.258 1.00 0.00 N ATOM 0 H LYS A 31 -1.740 -19.677 0.489 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.599 -18.915 -1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.139 -18.785 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.912 -17.051 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.025 -17.133 -3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.061 -18.885 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.578 -18.803 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.731 -18.075 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.587 -15.809 -4.649 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.699 -16.617 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.725 -15.598 -6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.813 -17.287 -6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.673 -16.504 -5.697 1.00 0.00 H new ATOM 469 N VAL A 32 0.589 -16.896 -0.374 1.00 0.00 N ATOM 470 CA VAL A 32 1.304 -15.633 -0.040 1.00 0.00 C ATOM 471 C VAL A 32 1.190 -14.652 -1.209 1.00 0.00 C ATOM 472 O VAL A 32 1.082 -15.043 -2.354 1.00 0.00 O ATOM 473 CB VAL A 32 2.780 -15.939 0.219 1.00 0.00 C ATOM 474 CG1 VAL A 32 3.372 -16.647 -0.999 1.00 0.00 C ATOM 475 CG2 VAL A 32 3.538 -14.633 0.465 1.00 0.00 C ATOM 0 H VAL A 32 1.163 -17.739 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 32 0.858 -15.190 0.850 1.00 0.00 H new ATOM 0 HB VAL A 32 2.869 -16.581 1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.424 -16.866 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.833 -17.578 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.282 -16.003 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.590 -14.852 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.449 -13.990 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.116 -14.125 1.332 1.00 0.00 H new ATOM 485 N ALA A 33 1.220 -13.378 -0.928 1.00 0.00 N ATOM 486 CA ALA A 33 1.122 -12.368 -2.018 1.00 0.00 C ATOM 487 C ALA A 33 2.307 -11.406 -1.918 1.00 0.00 C ATOM 488 O ALA A 33 2.489 -10.736 -0.921 1.00 0.00 O ATOM 489 CB ALA A 33 -0.186 -11.585 -1.878 1.00 0.00 C ATOM 0 H ALA A 33 1.308 -12.993 0.012 1.00 0.00 H new ATOM 0 HA ALA A 33 1.137 -12.871 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.255 -10.847 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.030 -12.272 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.205 -11.079 -0.913 1.00 0.00 H new ATOM 495 N THR A 34 3.118 -11.337 -2.937 1.00 0.00 N ATOM 496 CA THR A 34 4.294 -10.423 -2.890 1.00 0.00 C ATOM 497 C THR A 34 3.975 -9.125 -3.634 1.00 0.00 C ATOM 498 O THR A 34 3.121 -9.084 -4.496 1.00 0.00 O ATOM 499 CB THR A 34 5.496 -11.104 -3.552 1.00 0.00 C ATOM 500 OG1 THR A 34 5.035 -12.109 -4.443 1.00 0.00 O ATOM 501 CG2 THR A 34 6.382 -11.737 -2.477 1.00 0.00 C ATOM 0 H THR A 34 3.018 -11.873 -3.799 1.00 0.00 H new ATOM 0 HA THR A 34 4.527 -10.194 -1.850 1.00 0.00 H new ATOM 0 HB THR A 34 6.075 -10.365 -4.106 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.481 -11.699 -5.140 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.237 -12.221 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.734 -10.964 -1.794 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.807 -12.477 -1.921 1.00 0.00 H new ATOM 509 N ILE A 35 4.662 -8.064 -3.305 1.00 0.00 N ATOM 510 CA ILE A 35 4.407 -6.766 -3.992 1.00 0.00 C ATOM 511 C ILE A 35 5.740 -6.078 -4.285 1.00 0.00 C ATOM 512 O ILE A 35 6.386 -5.554 -3.399 1.00 0.00 O ATOM 513 CB ILE A 35 3.563 -5.863 -3.091 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.165 -6.468 -2.930 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.451 -4.476 -3.726 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.225 -5.429 -2.315 1.00 0.00 C ATOM 0 H ILE A 35 5.389 -8.041 -2.590 1.00 0.00 H new ATOM 0 HA ILE A 35 3.873 -6.950 -4.924 1.00 0.00 H new ATOM 0 HB ILE A 35 4.035 -5.778 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.783 -6.791 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.211 -7.353 -2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.850 -3.830 -3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.446 -4.047 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.977 -4.561 -4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.231 -5.860 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.604 -5.128 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.170 -4.557 -2.967 1.00 0.00 H new ATOM 528 N LYS A 36 6.157 -6.068 -5.521 1.00 0.00 N ATOM 529 CA LYS A 36 7.446 -5.404 -5.859 1.00 0.00 C ATOM 530 C LYS A 36 7.451 -3.998 -5.256 1.00 0.00 C ATOM 531 O LYS A 36 6.421 -3.367 -5.131 1.00 0.00 O ATOM 532 CB LYS A 36 7.594 -5.301 -7.380 1.00 0.00 C ATOM 533 CG LYS A 36 7.389 -6.678 -8.016 1.00 0.00 C ATOM 534 CD LYS A 36 8.366 -7.680 -7.399 1.00 0.00 C ATOM 535 CE LYS A 36 8.269 -9.010 -8.147 1.00 0.00 C ATOM 536 NZ LYS A 36 7.325 -9.914 -7.434 1.00 0.00 N ATOM 0 H LYS A 36 5.663 -6.489 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 36 8.274 -5.988 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.866 -4.594 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.582 -4.917 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.363 -7.012 -7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.545 -6.619 -9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.384 -7.293 -7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.136 -7.826 -6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.926 -8.841 -9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.253 -9.474 -8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.259 -10.819 -7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.670 -10.085 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.385 -9.471 -7.392 1.00 0.00 H new ATOM 550 N ARG A 37 8.597 -3.495 -4.890 1.00 0.00 N ATOM 551 CA ARG A 37 8.650 -2.128 -4.310 1.00 0.00 C ATOM 552 C ARG A 37 8.404 -1.123 -5.429 1.00 0.00 C ATOM 553 O ARG A 37 7.892 -0.043 -5.214 1.00 0.00 O ATOM 554 CB ARG A 37 10.031 -1.885 -3.701 1.00 0.00 C ATOM 555 CG ARG A 37 9.883 -1.112 -2.390 1.00 0.00 C ATOM 556 CD ARG A 37 9.448 -2.066 -1.276 1.00 0.00 C ATOM 557 NE ARG A 37 10.093 -1.659 0.005 1.00 0.00 N ATOM 558 CZ ARG A 37 11.197 -2.237 0.392 1.00 0.00 C ATOM 559 NH1 ARG A 37 12.305 -2.044 -0.270 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.193 -3.009 1.445 1.00 0.00 N ATOM 0 H ARG A 37 9.496 -3.971 -4.968 1.00 0.00 H new ATOM 0 HA ARG A 37 7.894 -2.019 -3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.532 -2.836 -3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.654 -1.324 -4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.829 -0.638 -2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.149 -0.315 -2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.363 -2.049 -1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.728 -3.089 -1.528 1.00 0.00 H new ATOM 0 HE ARG A 37 9.671 -0.929 0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.309 -1.440 -1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.167 -2.497 0.035 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.328 -3.160 1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.055 -3.462 1.749 1.00 0.00 H new ATOM 574 N ASP A 38 8.767 -1.482 -6.627 1.00 0.00 N ATOM 575 CA ASP A 38 8.562 -0.561 -7.775 1.00 0.00 C ATOM 576 C ASP A 38 7.066 -0.286 -7.945 1.00 0.00 C ATOM 577 O ASP A 38 6.669 0.671 -8.578 1.00 0.00 O ATOM 578 CB ASP A 38 9.109 -1.206 -9.050 1.00 0.00 C ATOM 579 CG ASP A 38 10.376 -0.470 -9.490 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.232 -0.250 -8.650 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.468 -0.140 -10.661 1.00 0.00 O ATOM 0 H ASP A 38 9.198 -2.376 -6.860 1.00 0.00 H new ATOM 0 HA ASP A 38 9.086 0.376 -7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.330 -2.258 -8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.360 -1.167 -9.841 1.00 0.00 H new ATOM 586 N LYS A 39 6.234 -1.121 -7.383 1.00 0.00 N ATOM 587 CA LYS A 39 4.764 -0.910 -7.510 1.00 0.00 C ATOM 588 C LYS A 39 4.215 -0.350 -6.198 1.00 0.00 C ATOM 589 O LYS A 39 3.566 0.677 -6.172 1.00 0.00 O ATOM 590 CB LYS A 39 4.084 -2.247 -7.817 1.00 0.00 C ATOM 591 CG LYS A 39 2.696 -1.994 -8.410 1.00 0.00 C ATOM 592 CD LYS A 39 2.485 -2.904 -9.621 1.00 0.00 C ATOM 593 CE LYS A 39 2.349 -4.354 -9.153 1.00 0.00 C ATOM 594 NZ LYS A 39 2.338 -5.260 -10.336 1.00 0.00 N ATOM 0 H LYS A 39 6.509 -1.940 -6.841 1.00 0.00 H new ATOM 0 HA LYS A 39 4.565 -0.205 -8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.690 -2.822 -8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.999 -2.840 -6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.928 -2.185 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.600 -0.949 -8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.590 -2.601 -10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.324 -2.810 -10.310 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.176 -4.613 -8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.431 -4.477 -8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.246 -6.246 -10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.535 -5.018 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.226 -5.149 -10.866 1.00 0.00 H new ATOM 608 N VAL A 40 4.471 -1.014 -5.105 1.00 0.00 N ATOM 609 CA VAL A 40 3.963 -0.517 -3.797 1.00 0.00 C ATOM 610 C VAL A 40 4.247 0.988 -3.692 1.00 0.00 C ATOM 611 O VAL A 40 3.384 1.775 -3.352 1.00 0.00 O ATOM 612 CB VAL A 40 4.651 -1.298 -2.657 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.792 -0.483 -2.032 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.619 -1.633 -1.580 1.00 0.00 C ATOM 0 H VAL A 40 5.010 -1.879 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 40 2.887 -0.673 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 40 5.073 -2.212 -3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.256 -1.061 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.537 -0.255 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.394 0.446 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.101 -2.185 -0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.193 -0.711 -1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.826 -2.243 -2.013 1.00 0.00 H new ATOM 624 N ARG A 41 5.452 1.390 -3.992 1.00 0.00 N ATOM 625 CA ARG A 41 5.796 2.836 -3.921 1.00 0.00 C ATOM 626 C ARG A 41 4.948 3.604 -4.934 1.00 0.00 C ATOM 627 O ARG A 41 4.460 4.682 -4.659 1.00 0.00 O ATOM 628 CB ARG A 41 7.279 3.023 -4.246 1.00 0.00 C ATOM 629 CG ARG A 41 7.673 4.484 -4.020 1.00 0.00 C ATOM 630 CD ARG A 41 8.078 5.117 -5.353 1.00 0.00 C ATOM 631 NE ARG A 41 9.494 4.769 -5.659 1.00 0.00 N ATOM 632 CZ ARG A 41 10.461 5.281 -4.945 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.811 6.525 -5.117 1.00 0.00 N ATOM 634 NH2 ARG A 41 11.078 4.546 -4.061 1.00 0.00 N ATOM 0 H ARG A 41 6.213 0.777 -4.284 1.00 0.00 H new ATOM 0 HA ARG A 41 5.597 3.213 -2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.885 2.371 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.474 2.739 -5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.839 5.033 -3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.499 4.543 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.425 4.761 -6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.961 6.200 -5.304 1.00 0.00 H new ATOM 0 HE ARG A 41 9.708 4.131 -6.426 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.330 7.099 -5.809 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.566 6.924 -4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.805 3.572 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.833 4.945 -3.503 1.00 0.00 H new ATOM 648 N GLU A 42 4.762 3.058 -6.105 1.00 0.00 N ATOM 649 CA GLU A 42 3.940 3.761 -7.129 1.00 0.00 C ATOM 650 C GLU A 42 2.633 4.222 -6.483 1.00 0.00 C ATOM 651 O GLU A 42 2.215 5.352 -6.642 1.00 0.00 O ATOM 652 CB GLU A 42 3.633 2.809 -8.287 1.00 0.00 C ATOM 653 CG GLU A 42 4.650 3.026 -9.409 1.00 0.00 C ATOM 654 CD GLU A 42 3.956 3.668 -10.613 1.00 0.00 C ATOM 655 OE1 GLU A 42 2.739 3.602 -10.674 1.00 0.00 O ATOM 656 OE2 GLU A 42 4.652 4.213 -11.452 1.00 0.00 O ATOM 0 H GLU A 42 5.143 2.158 -6.396 1.00 0.00 H new ATOM 0 HA GLU A 42 4.487 4.622 -7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.671 1.776 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.623 2.984 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.461 3.665 -9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.096 2.075 -9.698 1.00 0.00 H new ATOM 663 N ILE A 43 1.990 3.357 -5.745 1.00 0.00 N ATOM 664 CA ILE A 43 0.716 3.747 -5.079 1.00 0.00 C ATOM 665 C ILE A 43 0.987 4.906 -4.120 1.00 0.00 C ATOM 666 O ILE A 43 0.319 5.922 -4.149 1.00 0.00 O ATOM 667 CB ILE A 43 0.163 2.557 -4.293 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.119 1.400 -5.254 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.133 2.965 -3.593 1.00 0.00 C ATOM 670 CD1 ILE A 43 0.423 0.101 -4.660 1.00 0.00 C ATOM 0 H ILE A 43 2.293 2.398 -5.575 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.011 4.052 -5.831 1.00 0.00 H new ATOM 0 HB ILE A 43 0.894 2.242 -3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.191 1.312 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.348 1.593 -6.220 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.527 2.117 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.933 3.790 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.865 3.280 -4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.222 -0.723 -5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.498 0.192 -4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.064 -0.093 -3.705 1.00 0.00 H new ATOM 682 N ALA A 44 1.970 4.766 -3.274 1.00 0.00 N ATOM 683 CA ALA A 44 2.292 5.861 -2.317 1.00 0.00 C ATOM 684 C ALA A 44 2.778 7.089 -3.093 1.00 0.00 C ATOM 685 O ALA A 44 2.937 8.160 -2.541 1.00 0.00 O ATOM 686 CB ALA A 44 3.392 5.396 -1.362 1.00 0.00 C ATOM 0 H ALA A 44 2.564 3.940 -3.204 1.00 0.00 H new ATOM 0 HA ALA A 44 1.400 6.119 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.628 6.197 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.049 4.521 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.284 5.138 -1.933 1.00 0.00 H new ATOM 692 N GLU A 45 3.020 6.940 -4.368 1.00 0.00 N ATOM 693 CA GLU A 45 3.503 8.095 -5.179 1.00 0.00 C ATOM 694 C GLU A 45 2.320 8.983 -5.576 1.00 0.00 C ATOM 695 O GLU A 45 2.335 10.178 -5.361 1.00 0.00 O ATOM 696 CB GLU A 45 4.196 7.577 -6.442 1.00 0.00 C ATOM 697 CG GLU A 45 5.443 8.419 -6.719 1.00 0.00 C ATOM 698 CD GLU A 45 5.031 9.866 -7.000 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.181 10.063 -7.853 1.00 0.00 O ATOM 700 OE2 GLU A 45 5.572 10.750 -6.358 1.00 0.00 O ATOM 0 H GLU A 45 2.904 6.067 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 45 4.208 8.679 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.471 6.530 -6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.514 7.627 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.117 8.381 -5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.987 8.013 -7.572 1.00 0.00 H new ATOM 707 N LEU A 46 1.299 8.417 -6.157 1.00 0.00 N ATOM 708 CA LEU A 46 0.129 9.247 -6.564 1.00 0.00 C ATOM 709 C LEU A 46 -0.550 9.817 -5.315 1.00 0.00 C ATOM 710 O LEU A 46 -1.081 10.909 -5.332 1.00 0.00 O ATOM 711 CB LEU A 46 -0.866 8.396 -7.351 1.00 0.00 C ATOM 712 CG LEU A 46 -1.064 7.058 -6.648 1.00 0.00 C ATOM 713 CD1 LEU A 46 -2.528 6.918 -6.236 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.690 5.925 -7.606 1.00 0.00 C ATOM 0 H LEU A 46 1.223 7.422 -6.367 1.00 0.00 H new ATOM 0 HA LEU A 46 0.471 10.066 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.819 8.918 -7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.500 8.235 -8.365 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.431 7.009 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.675 5.962 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.795 7.729 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.161 6.962 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.830 4.966 -7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.326 5.971 -8.490 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.353 6.030 -7.904 1.00 0.00 H new ATOM 726 N LYS A 47 -0.533 9.089 -4.231 1.00 0.00 N ATOM 727 CA LYS A 47 -1.175 9.596 -2.984 1.00 0.00 C ATOM 728 C LYS A 47 -0.126 10.305 -2.123 1.00 0.00 C ATOM 729 O LYS A 47 -0.369 10.642 -0.981 1.00 0.00 O ATOM 730 CB LYS A 47 -1.761 8.422 -2.199 1.00 0.00 C ATOM 731 CG LYS A 47 -2.937 7.828 -2.973 1.00 0.00 C ATOM 732 CD LYS A 47 -4.235 8.114 -2.218 1.00 0.00 C ATOM 733 CE LYS A 47 -5.142 6.884 -2.275 1.00 0.00 C ATOM 734 NZ LYS A 47 -5.991 6.948 -3.498 1.00 0.00 N ATOM 0 H LYS A 47 -0.103 8.167 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.970 10.295 -3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.997 7.662 -2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.091 8.757 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.983 8.258 -3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.802 6.753 -3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.016 8.369 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.742 8.973 -2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.540 5.975 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.770 6.841 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.818 6.329 -3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.310 7.926 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.438 6.634 -4.321 1.00 0.00 H new ATOM 748 N MET A 48 1.040 10.529 -2.661 1.00 0.00 N ATOM 749 CA MET A 48 2.107 11.209 -1.876 1.00 0.00 C ATOM 750 C MET A 48 1.606 12.582 -1.398 1.00 0.00 C ATOM 751 O MET A 48 1.657 12.874 -0.220 1.00 0.00 O ATOM 752 CB MET A 48 3.367 11.349 -2.753 1.00 0.00 C ATOM 753 CG MET A 48 4.111 12.655 -2.443 1.00 0.00 C ATOM 754 SD MET A 48 5.816 12.531 -3.035 1.00 0.00 S ATOM 755 CE MET A 48 6.625 12.748 -1.432 1.00 0.00 C ATOM 0 H MET A 48 1.301 10.270 -3.613 1.00 0.00 H new ATOM 0 HA MET A 48 2.359 10.618 -0.996 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.029 10.500 -2.583 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.086 11.328 -3.806 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.608 13.495 -2.922 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.100 12.847 -1.370 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.649 12.379 -1.488 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.634 13.806 -1.169 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.080 12.190 -0.671 1.00 0.00 H new ATOM 765 N PRO A 49 1.138 13.382 -2.321 1.00 0.00 N ATOM 766 CA PRO A 49 0.625 14.727 -2.009 1.00 0.00 C ATOM 767 C PRO A 49 -0.773 14.629 -1.389 1.00 0.00 C ATOM 768 O PRO A 49 -1.362 15.619 -1.003 1.00 0.00 O ATOM 769 CB PRO A 49 0.576 15.422 -3.371 1.00 0.00 C ATOM 770 CG PRO A 49 0.520 14.298 -4.431 1.00 0.00 C ATOM 771 CD PRO A 49 1.072 13.028 -3.754 1.00 0.00 C ATOM 0 HA PRO A 49 1.240 15.267 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.297 16.070 -3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.454 16.051 -3.518 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.502 14.141 -4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.114 14.560 -5.306 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.420 12.171 -3.923 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.055 12.763 -4.145 1.00 0.00 H new ATOM 779 N ASP A 50 -1.301 13.442 -1.285 1.00 0.00 N ATOM 780 CA ASP A 50 -2.652 13.275 -0.684 1.00 0.00 C ATOM 781 C ASP A 50 -2.542 12.380 0.551 1.00 0.00 C ATOM 782 O ASP A 50 -3.526 11.890 1.067 1.00 0.00 O ATOM 783 CB ASP A 50 -3.592 12.628 -1.704 1.00 0.00 C ATOM 784 CG ASP A 50 -4.428 13.711 -2.388 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.840 14.583 -3.008 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.642 13.652 -2.280 1.00 0.00 O ATOM 0 H ASP A 50 -0.853 12.578 -1.591 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.050 14.249 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.016 12.076 -2.446 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.244 11.909 -1.208 1.00 0.00 H new ATOM 791 N LEU A 51 -1.345 12.161 1.026 1.00 0.00 N ATOM 792 CA LEU A 51 -1.162 11.296 2.224 1.00 0.00 C ATOM 793 C LEU A 51 -0.561 12.120 3.366 1.00 0.00 C ATOM 794 O LEU A 51 -0.346 11.625 4.454 1.00 0.00 O ATOM 795 CB LEU A 51 -0.217 10.143 1.878 1.00 0.00 C ATOM 796 CG LEU A 51 -1.019 8.994 1.266 1.00 0.00 C ATOM 797 CD1 LEU A 51 -0.095 8.125 0.411 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.625 8.146 2.387 1.00 0.00 C ATOM 0 H LEU A 51 -0.485 12.545 0.634 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.128 10.898 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.546 10.482 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.302 9.802 2.774 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.816 9.397 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.667 7.306 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.339 8.729 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.702 7.720 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.198 7.326 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.827 7.742 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.283 8.765 2.997 1.00 0.00 H new ATOM 810 N ASN A 52 -0.288 13.374 3.128 1.00 0.00 N ATOM 811 CA ASN A 52 0.299 14.226 4.201 1.00 0.00 C ATOM 812 C ASN A 52 1.724 13.760 4.500 1.00 0.00 C ATOM 813 O ASN A 52 2.319 14.145 5.488 1.00 0.00 O ATOM 814 CB ASN A 52 -0.551 14.108 5.468 1.00 0.00 C ATOM 815 CG ASN A 52 -0.743 15.494 6.085 1.00 0.00 C ATOM 816 OD1 ASN A 52 -1.178 16.414 5.420 1.00 0.00 O ATOM 817 ND2 ASN A 52 -0.436 15.686 7.338 1.00 0.00 N ATOM 0 H ASN A 52 -0.446 13.845 2.237 1.00 0.00 H new ATOM 0 HA ASN A 52 0.318 15.264 3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.519 13.667 5.229 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.066 13.444 6.183 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.561 16.607 7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.071 14.915 7.898 1.00 0.00 H new ATOM 824 N ALA A 53 2.279 12.932 3.656 1.00 0.00 N ATOM 825 CA ALA A 53 3.666 12.442 3.895 1.00 0.00 C ATOM 826 C ALA A 53 4.667 13.539 3.526 1.00 0.00 C ATOM 827 O ALA A 53 4.537 14.195 2.512 1.00 0.00 O ATOM 828 CB ALA A 53 3.924 11.205 3.034 1.00 0.00 C ATOM 0 H ALA A 53 1.832 12.574 2.812 1.00 0.00 H new ATOM 0 HA ALA A 53 3.784 12.184 4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.938 10.846 3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.212 10.423 3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.806 11.463 1.982 1.00 0.00 H new ATOM 834 N ALA A 54 5.667 13.740 4.341 1.00 0.00 N ATOM 835 CA ALA A 54 6.677 14.792 4.036 1.00 0.00 C ATOM 836 C ALA A 54 7.552 14.337 2.865 1.00 0.00 C ATOM 837 O ALA A 54 8.345 15.094 2.339 1.00 0.00 O ATOM 838 CB ALA A 54 7.556 15.028 5.265 1.00 0.00 C ATOM 0 H ALA A 54 5.828 13.221 5.204 1.00 0.00 H new ATOM 0 HA ALA A 54 6.166 15.718 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.295 15.798 5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.935 15.353 6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.066 14.102 5.531 1.00 0.00 H new ATOM 844 N SER A 55 7.415 13.108 2.453 1.00 0.00 N ATOM 845 CA SER A 55 8.237 12.607 1.318 1.00 0.00 C ATOM 846 C SER A 55 7.947 11.120 1.100 1.00 0.00 C ATOM 847 O SER A 55 7.073 10.552 1.724 1.00 0.00 O ATOM 848 CB SER A 55 9.721 12.797 1.636 1.00 0.00 C ATOM 849 OG SER A 55 9.910 12.737 3.044 1.00 0.00 O ATOM 0 H SER A 55 6.769 12.428 2.854 1.00 0.00 H new ATOM 0 HA SER A 55 7.988 13.164 0.415 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.312 12.024 1.145 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.068 13.756 1.251 1.00 0.00 H new ATOM 0 HG SER A 55 10.860 12.857 3.252 1.00 0.00 H new ATOM 855 N ILE A 56 8.671 10.485 0.221 1.00 0.00 N ATOM 856 CA ILE A 56 8.431 9.035 -0.033 1.00 0.00 C ATOM 857 C ILE A 56 8.729 8.240 1.240 1.00 0.00 C ATOM 858 O ILE A 56 7.932 7.441 1.684 1.00 0.00 O ATOM 859 CB ILE A 56 9.344 8.552 -1.158 1.00 0.00 C ATOM 860 CG1 ILE A 56 9.207 9.483 -2.367 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.946 7.132 -1.563 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.779 9.409 -2.911 1.00 0.00 C ATOM 0 H ILE A 56 9.418 10.906 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 56 7.391 8.886 -0.323 1.00 0.00 H new ATOM 0 HB ILE A 56 10.378 8.557 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.445 10.507 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.918 9.196 -3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.597 6.787 -2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.045 6.468 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.912 7.128 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.682 10.072 -3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.558 8.386 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.078 9.717 -2.135 1.00 0.00 H new ATOM 874 N GLU A 57 9.869 8.453 1.837 1.00 0.00 N ATOM 875 CA GLU A 57 10.197 7.705 3.082 1.00 0.00 C ATOM 876 C GLU A 57 9.004 7.775 4.034 1.00 0.00 C ATOM 877 O GLU A 57 8.824 6.927 4.885 1.00 0.00 O ATOM 878 CB GLU A 57 11.423 8.331 3.752 1.00 0.00 C ATOM 879 CG GLU A 57 12.533 8.518 2.716 1.00 0.00 C ATOM 880 CD GLU A 57 13.867 8.741 3.431 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.875 9.460 4.417 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.857 8.187 2.982 1.00 0.00 O ATOM 0 H GLU A 57 10.583 9.108 1.519 1.00 0.00 H new ATOM 0 HA GLU A 57 10.415 6.665 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.158 9.292 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.772 7.693 4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.596 7.641 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.306 9.369 2.074 1.00 0.00 H new ATOM 889 N ALA A 58 8.185 8.783 3.897 1.00 0.00 N ATOM 890 CA ALA A 58 7.001 8.912 4.790 1.00 0.00 C ATOM 891 C ALA A 58 5.803 8.193 4.163 1.00 0.00 C ATOM 892 O ALA A 58 4.973 7.635 4.852 1.00 0.00 O ATOM 893 CB ALA A 58 6.663 10.393 4.975 1.00 0.00 C ATOM 0 H ALA A 58 8.286 9.524 3.203 1.00 0.00 H new ATOM 0 HA ALA A 58 7.227 8.464 5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.796 10.489 5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.514 10.907 5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.438 10.839 4.006 1.00 0.00 H new ATOM 899 N ALA A 59 5.703 8.206 2.860 1.00 0.00 N ATOM 900 CA ALA A 59 4.553 7.527 2.195 1.00 0.00 C ATOM 901 C ALA A 59 4.836 6.028 2.078 1.00 0.00 C ATOM 902 O ALA A 59 4.152 5.209 2.659 1.00 0.00 O ATOM 903 CB ALA A 59 4.351 8.118 0.800 1.00 0.00 C ATOM 0 H ALA A 59 6.366 8.656 2.229 1.00 0.00 H new ATOM 0 HA ALA A 59 3.652 7.678 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.511 7.623 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.144 9.185 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.253 7.968 0.207 1.00 0.00 H new ATOM 909 N MET A 60 5.844 5.661 1.334 1.00 0.00 N ATOM 910 CA MET A 60 6.173 4.217 1.184 1.00 0.00 C ATOM 911 C MET A 60 6.188 3.575 2.567 1.00 0.00 C ATOM 912 O MET A 60 5.962 2.391 2.720 1.00 0.00 O ATOM 913 CB MET A 60 7.551 4.068 0.535 1.00 0.00 C ATOM 914 CG MET A 60 7.696 2.658 -0.039 1.00 0.00 C ATOM 915 SD MET A 60 9.231 1.915 0.567 1.00 0.00 S ATOM 916 CE MET A 60 10.295 2.450 -0.795 1.00 0.00 C ATOM 0 H MET A 60 6.454 6.300 0.824 1.00 0.00 H new ATOM 0 HA MET A 60 5.429 3.729 0.554 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.674 4.808 -0.256 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.333 4.255 1.271 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.843 2.045 0.253 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.703 2.696 -1.128 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.311 2.094 -0.624 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.920 2.040 -1.733 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.296 3.539 -0.850 1.00 0.00 H new ATOM 926 N ARG A 61 6.448 4.356 3.577 1.00 0.00 N ATOM 927 CA ARG A 61 6.474 3.808 4.956 1.00 0.00 C ATOM 928 C ARG A 61 5.099 3.235 5.291 1.00 0.00 C ATOM 929 O ARG A 61 4.963 2.083 5.653 1.00 0.00 O ATOM 930 CB ARG A 61 6.813 4.926 5.940 1.00 0.00 C ATOM 931 CG ARG A 61 6.762 4.376 7.360 1.00 0.00 C ATOM 932 CD ARG A 61 7.117 5.482 8.354 1.00 0.00 C ATOM 933 NE ARG A 61 6.950 4.976 9.745 1.00 0.00 N ATOM 934 CZ ARG A 61 5.954 5.393 10.477 1.00 0.00 C ATOM 935 NH1 ARG A 61 4.765 5.515 9.953 1.00 0.00 N ATOM 936 NH2 ARG A 61 6.146 5.690 11.733 1.00 0.00 N ATOM 0 H ARG A 61 6.644 5.354 3.504 1.00 0.00 H new ATOM 0 HA ARG A 61 7.227 3.023 5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.805 5.326 5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.107 5.749 5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.766 3.987 7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.458 3.544 7.463 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.144 5.810 8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.477 6.349 8.192 1.00 0.00 H new ATOM 0 HE ARG A 61 7.615 4.303 10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.614 5.284 8.971 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.986 5.841 10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.075 5.596 12.143 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.367 6.016 12.305 1.00 0.00 H new ATOM 950 N MET A 62 4.078 4.032 5.168 1.00 0.00 N ATOM 951 CA MET A 62 2.707 3.539 5.470 1.00 0.00 C ATOM 952 C MET A 62 2.367 2.404 4.504 1.00 0.00 C ATOM 953 O MET A 62 1.529 1.569 4.780 1.00 0.00 O ATOM 954 CB MET A 62 1.703 4.682 5.299 1.00 0.00 C ATOM 955 CG MET A 62 1.709 5.558 6.552 1.00 0.00 C ATOM 956 SD MET A 62 0.572 6.947 6.324 1.00 0.00 S ATOM 957 CE MET A 62 1.816 8.189 5.894 1.00 0.00 C ATOM 0 H MET A 62 4.133 5.006 4.871 1.00 0.00 H new ATOM 0 HA MET A 62 2.660 3.175 6.496 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.961 5.279 4.424 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.704 4.280 5.128 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.412 4.970 7.421 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.716 5.927 6.746 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.327 9.145 5.708 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.522 8.297 6.717 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.350 7.874 4.997 1.00 0.00 H new ATOM 967 N ILE A 63 3.020 2.365 3.375 1.00 0.00 N ATOM 968 CA ILE A 63 2.749 1.284 2.388 1.00 0.00 C ATOM 969 C ILE A 63 3.382 -0.017 2.884 1.00 0.00 C ATOM 970 O ILE A 63 2.920 -1.099 2.581 1.00 0.00 O ATOM 971 CB ILE A 63 3.355 1.675 1.038 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.766 3.013 0.587 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.029 0.603 -0.001 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.241 2.962 0.690 1.00 0.00 C ATOM 0 H ILE A 63 3.732 3.039 3.093 1.00 0.00 H new ATOM 0 HA ILE A 63 1.674 1.142 2.274 1.00 0.00 H new ATOM 0 HB ILE A 63 4.437 1.765 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.156 3.821 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.064 3.226 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.461 0.884 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.445 -0.352 0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.948 0.512 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.823 3.916 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.860 2.165 0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.952 2.769 1.723 1.00 0.00 H new ATOM 986 N GLU A 64 4.432 0.083 3.650 1.00 0.00 N ATOM 987 CA GLU A 64 5.094 -1.142 4.178 1.00 0.00 C ATOM 988 C GLU A 64 4.340 -1.633 5.418 1.00 0.00 C ATOM 989 O GLU A 64 3.925 -2.772 5.493 1.00 0.00 O ATOM 990 CB GLU A 64 6.538 -0.813 4.559 1.00 0.00 C ATOM 991 CG GLU A 64 7.456 -1.960 4.133 1.00 0.00 C ATOM 992 CD GLU A 64 8.887 -1.659 4.583 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.041 -0.929 5.549 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.803 -2.164 3.956 1.00 0.00 O ATOM 0 H GLU A 64 4.862 0.963 3.934 1.00 0.00 H new ATOM 0 HA GLU A 64 5.086 -1.920 3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.850 0.114 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.614 -0.654 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.114 -2.897 4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.422 -2.085 3.051 1.00 0.00 H new ATOM 1001 N GLY A 65 4.161 -0.780 6.391 1.00 0.00 N ATOM 1002 CA GLY A 65 3.436 -1.196 7.626 1.00 0.00 C ATOM 1003 C GLY A 65 1.994 -1.570 7.277 1.00 0.00 C ATOM 1004 O GLY A 65 1.410 -2.452 7.874 1.00 0.00 O ATOM 0 H GLY A 65 4.486 0.187 6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.941 -2.045 8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.445 -0.386 8.355 1.00 0.00 H new ATOM 1008 N THR A 66 1.415 -0.909 6.312 1.00 0.00 N ATOM 1009 CA THR A 66 0.012 -1.230 5.925 1.00 0.00 C ATOM 1010 C THR A 66 0.008 -2.444 4.996 1.00 0.00 C ATOM 1011 O THR A 66 -0.860 -3.292 5.067 1.00 0.00 O ATOM 1012 CB THR A 66 -0.605 -0.034 5.197 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.655 1.081 6.077 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.020 -0.388 4.738 1.00 0.00 C ATOM 0 H THR A 66 1.853 -0.161 5.775 1.00 0.00 H new ATOM 0 HA THR A 66 -0.570 -1.450 6.820 1.00 0.00 H new ATOM 0 HB THR A 66 0.004 0.216 4.328 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.131 1.648 5.932 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.458 0.465 4.220 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.980 -1.242 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.631 -0.639 5.605 1.00 0.00 H new ATOM 1022 N ALA A 67 0.972 -2.533 4.123 1.00 0.00 N ATOM 1023 CA ALA A 67 1.026 -3.689 3.186 1.00 0.00 C ATOM 1024 C ALA A 67 1.831 -4.824 3.822 1.00 0.00 C ATOM 1025 O ALA A 67 2.354 -5.684 3.143 1.00 0.00 O ATOM 1026 CB ALA A 67 1.701 -3.252 1.884 1.00 0.00 C ATOM 0 H ALA A 67 1.726 -1.854 4.018 1.00 0.00 H new ATOM 0 HA ALA A 67 0.015 -4.037 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.743 -4.095 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.129 -2.442 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.713 -2.907 2.097 1.00 0.00 H new ATOM 1032 N ARG A 68 1.938 -4.830 5.123 1.00 0.00 N ATOM 1033 CA ARG A 68 2.714 -5.909 5.799 1.00 0.00 C ATOM 1034 C ARG A 68 1.853 -6.572 6.879 1.00 0.00 C ATOM 1035 O ARG A 68 2.216 -7.591 7.434 1.00 0.00 O ATOM 1036 CB ARG A 68 3.963 -5.305 6.446 1.00 0.00 C ATOM 1037 CG ARG A 68 5.053 -5.132 5.387 1.00 0.00 C ATOM 1038 CD ARG A 68 5.838 -6.437 5.247 1.00 0.00 C ATOM 1039 NE ARG A 68 6.869 -6.513 6.318 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.062 -6.963 6.045 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.997 -6.141 5.654 1.00 0.00 N ATOM 1042 NH2 ARG A 68 8.320 -8.237 6.158 1.00 0.00 N ATOM 0 H ARG A 68 1.523 -4.137 5.746 1.00 0.00 H new ATOM 0 HA ARG A 68 3.005 -6.658 5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.723 -4.342 6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.319 -5.952 7.248 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.606 -4.859 4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.723 -4.320 5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.162 -7.290 5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.312 -6.485 4.267 1.00 0.00 H new ATOM 0 HE ARG A 68 6.642 -6.213 7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.795 -5.145 5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.930 -6.494 5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.589 -8.881 6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.253 -8.589 5.944 1.00 0.00 H new ATOM 1056 N SER A 69 0.718 -6.005 7.184 1.00 0.00 N ATOM 1057 CA SER A 69 -0.158 -6.607 8.230 1.00 0.00 C ATOM 1058 C SER A 69 -1.128 -7.598 7.583 1.00 0.00 C ATOM 1059 O SER A 69 -1.559 -8.550 8.202 1.00 0.00 O ATOM 1060 CB SER A 69 -0.950 -5.501 8.928 1.00 0.00 C ATOM 1061 OG SER A 69 -0.376 -4.240 8.611 1.00 0.00 O ATOM 0 H SER A 69 0.359 -5.152 6.755 1.00 0.00 H new ATOM 0 HA SER A 69 0.459 -7.131 8.960 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.992 -5.529 8.611 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.941 -5.657 10.007 1.00 0.00 H new ATOM 0 HG SER A 69 -0.882 -3.529 9.056 1.00 0.00 H new ATOM 1067 N MET A 70 -1.477 -7.382 6.344 1.00 0.00 N ATOM 1068 CA MET A 70 -2.422 -8.312 5.664 1.00 0.00 C ATOM 1069 C MET A 70 -1.659 -9.534 5.146 1.00 0.00 C ATOM 1070 O MET A 70 -2.197 -10.353 4.427 1.00 0.00 O ATOM 1071 CB MET A 70 -3.090 -7.592 4.491 1.00 0.00 C ATOM 1072 CG MET A 70 -4.198 -6.680 5.018 1.00 0.00 C ATOM 1073 SD MET A 70 -3.472 -5.136 5.622 1.00 0.00 S ATOM 1074 CE MET A 70 -4.025 -4.079 4.262 1.00 0.00 C ATOM 0 H MET A 70 -1.149 -6.602 5.774 1.00 0.00 H new ATOM 0 HA MET A 70 -3.183 -8.636 6.374 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.352 -7.006 3.942 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.504 -8.319 3.792 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.918 -6.471 4.227 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.742 -7.177 5.821 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.579 -3.090 4.365 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.718 -4.518 3.312 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.111 -3.992 4.288 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.413 -9.667 5.507 1.00 0.00 N ATOM 1085 CA GLY A 71 0.377 -10.838 5.036 1.00 0.00 C ATOM 1086 C GLY A 71 1.015 -10.520 3.682 1.00 0.00 C ATOM 1087 O GLY A 71 1.511 -11.394 2.999 1.00 0.00 O ATOM 0 H GLY A 71 0.092 -9.015 6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.150 -11.084 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.268 -11.712 4.948 1.00 0.00 H new ATOM 1091 N ILE A 72 1.008 -9.275 3.288 1.00 0.00 N ATOM 1092 CA ILE A 72 1.616 -8.907 1.980 1.00 0.00 C ATOM 1093 C ILE A 72 3.092 -8.564 2.187 1.00 0.00 C ATOM 1094 O ILE A 72 3.451 -7.863 3.112 1.00 0.00 O ATOM 1095 CB ILE A 72 0.888 -7.694 1.401 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.586 -8.042 1.182 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.523 -7.307 0.064 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.444 -6.801 1.438 1.00 0.00 C ATOM 0 H ILE A 72 0.608 -8.499 3.815 1.00 0.00 H new ATOM 0 HA ILE A 72 1.529 -9.745 1.289 1.00 0.00 H new ATOM 0 HB ILE A 72 0.966 -6.858 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.739 -8.400 0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.884 -8.849 1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.004 -6.442 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.573 -7.060 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.445 -8.143 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.495 -7.047 1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.298 -6.463 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.151 -6.008 0.750 1.00 0.00 H new ATOM 1110 N VAL A 73 3.950 -9.054 1.337 1.00 0.00 N ATOM 1111 CA VAL A 73 5.400 -8.752 1.493 1.00 0.00 C ATOM 1112 C VAL A 73 5.820 -7.718 0.441 1.00 0.00 C ATOM 1113 O VAL A 73 5.181 -7.563 -0.581 1.00 0.00 O ATOM 1114 CB VAL A 73 6.211 -10.054 1.342 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.757 -10.205 -0.084 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.379 -10.036 2.329 1.00 0.00 C ATOM 0 H VAL A 73 3.711 -9.649 0.543 1.00 0.00 H new ATOM 0 HA VAL A 73 5.593 -8.337 2.482 1.00 0.00 H new ATOM 0 HB VAL A 73 5.551 -10.897 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.325 -11.132 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.927 -10.228 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.407 -9.362 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.956 -10.955 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.020 -9.180 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.995 -9.961 3.346 1.00 0.00 H new ATOM 1126 N VAL A 74 6.886 -7.009 0.683 1.00 0.00 N ATOM 1127 CA VAL A 74 7.339 -5.989 -0.303 1.00 0.00 C ATOM 1128 C VAL A 74 8.810 -6.248 -0.658 1.00 0.00 C ATOM 1129 O VAL A 74 9.659 -6.333 0.207 1.00 0.00 O ATOM 1130 CB VAL A 74 7.150 -4.585 0.304 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.472 -4.036 0.855 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.619 -3.637 -0.772 1.00 0.00 C ATOM 0 H VAL A 74 7.463 -7.091 1.520 1.00 0.00 H new ATOM 0 HA VAL A 74 6.750 -6.053 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 74 6.439 -4.660 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.307 -3.044 1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.847 -4.702 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.203 -3.970 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.484 -2.643 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.331 -3.586 -1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.663 -4.006 -1.142 1.00 0.00 H new ATOM 1142 N GLU A 75 9.116 -6.377 -1.919 1.00 0.00 N ATOM 1143 CA GLU A 75 10.530 -6.634 -2.315 1.00 0.00 C ATOM 1144 C GLU A 75 10.827 -5.938 -3.644 1.00 0.00 C ATOM 1145 O GLU A 75 10.209 -6.214 -4.654 1.00 0.00 O ATOM 1146 CB GLU A 75 10.749 -8.142 -2.465 1.00 0.00 C ATOM 1147 CG GLU A 75 12.089 -8.400 -3.158 1.00 0.00 C ATOM 1148 CD GLU A 75 13.232 -7.980 -2.233 1.00 0.00 C ATOM 1149 OE1 GLU A 75 12.946 -7.428 -1.184 1.00 0.00 O ATOM 1150 OE2 GLU A 75 14.374 -8.217 -2.591 1.00 0.00 O ATOM 0 H GLU A 75 8.451 -6.316 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 75 11.199 -6.243 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.736 -8.621 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.938 -8.582 -3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.182 -9.456 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.140 -7.842 -4.093 1.00 0.00 H new ATOM 1157 N ASP A 76 11.772 -5.037 -3.653 1.00 0.00 N ATOM 1158 CA ASP A 76 12.112 -4.324 -4.917 1.00 0.00 C ATOM 1159 C ASP A 76 12.472 -5.344 -5.998 1.00 0.00 C ATOM 1160 O ASP A 76 13.070 -6.353 -5.658 1.00 0.00 O ATOM 1161 CB ASP A 76 13.305 -3.398 -4.672 1.00 0.00 C ATOM 1162 CG ASP A 76 14.530 -4.235 -4.297 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.092 -4.856 -5.185 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.887 -4.239 -3.131 1.00 0.00 O ATOM 1165 OXT ASP A 76 12.146 -5.100 -7.148 1.00 0.00 O ATOM 0 H ASP A 76 12.323 -4.764 -2.839 1.00 0.00 H new ATOM 0 HA ASP A 76 11.255 -3.736 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.513 -2.810 -5.566 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.074 -2.693 -3.873 1.00 0.00 H new TER 1170 ASP A 76