USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 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+ -128:sc=-0.00306 (180deg=-0.669) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.16 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 -149:sc= -2.54! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc=-0.00579 (180deg=-0.185) USER MOD Single : A 22 SER OG : rot 74:sc= 0.933 USER MOD Single : A 24 SER OG : rot -109:sc= -5.44! USER MOD Single : A 28 ASN : amide:sc= -0.996 X(o=-1,f=-0.63) USER MOD Single : A 30 ASN : amide:sc= -0.619 K(o=-0.62,f=-5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= 1.15 (180deg=1.08) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc=-0.00307 (180deg=-0.00445) USER MOD Single : A 47 LYS NZ :NH3+ -149:sc= -5.73! (180deg=-10.4!) USER MOD Single : A 48 MET CE :methyl 179:sc= 0 (180deg=-0.00118) USER MOD Single : A 52 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.6!) USER MOD Single : A 55 SER OG : rot -96:sc= -3! USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 157:sc= -2.35 (180deg=-4.57!) USER MOD Single : A 66 THR OG1 : rot 116:sc= 1.1 USER MOD Single : A 69 SER OG : rot -74:sc= 0.991 USER MOD Single : A 70 MET CE :methyl 150:sc= -1.16! (180deg=-3.61!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.184 10.462 -15.260 1.00 0.00 N ATOM 2 CA MET A 1 5.232 11.150 -16.176 1.00 0.00 C ATOM 3 C MET A 1 4.568 12.317 -15.439 1.00 0.00 C ATOM 4 O MET A 1 4.947 12.664 -14.338 1.00 0.00 O ATOM 5 CB MET A 1 4.163 10.157 -16.635 1.00 0.00 C ATOM 6 CG MET A 1 4.808 9.086 -17.515 1.00 0.00 C ATOM 7 SD MET A 1 3.618 7.757 -17.820 1.00 0.00 S ATOM 8 CE MET A 1 3.268 8.156 -19.550 1.00 0.00 C ATOM 0 H1 MET A 1 7.113 10.383 -15.721 1.00 0.00 H new ATOM 0 H2 MET A 1 6.279 11.011 -14.382 1.00 0.00 H new ATOM 0 H3 MET A 1 5.826 9.511 -15.037 1.00 0.00 H new ATOM 0 HA MET A 1 5.770 11.531 -17.044 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.686 9.694 -15.771 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.382 10.677 -17.190 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.131 9.523 -18.460 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.698 8.687 -17.028 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.542 7.447 -19.947 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.862 9.166 -19.616 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.189 8.096 -20.131 1.00 0.00 H new ATOM 20 N THR A 2 3.580 12.927 -16.037 1.00 0.00 N ATOM 21 CA THR A 2 2.896 14.073 -15.370 1.00 0.00 C ATOM 22 C THR A 2 2.439 13.649 -13.972 1.00 0.00 C ATOM 23 O THR A 2 2.678 12.539 -13.540 1.00 0.00 O ATOM 24 CB THR A 2 1.681 14.495 -16.200 1.00 0.00 C ATOM 25 OG1 THR A 2 1.437 13.523 -17.206 1.00 0.00 O ATOM 26 CG2 THR A 2 1.952 15.851 -16.853 1.00 0.00 C ATOM 0 H THR A 2 3.217 12.682 -16.958 1.00 0.00 H new ATOM 0 HA THR A 2 3.587 14.912 -15.287 1.00 0.00 H new ATOM 0 HB THR A 2 0.808 14.575 -15.552 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.658 13.791 -17.737 1.00 0.00 H new ATOM 0 HG21 THR A 2 1.086 16.150 -17.444 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.139 16.596 -16.080 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.825 15.775 -17.502 1.00 0.00 H new ATOM 34 N PHE A 3 1.778 14.524 -13.262 1.00 0.00 N ATOM 35 CA PHE A 3 1.304 14.167 -11.895 1.00 0.00 C ATOM 36 C PHE A 3 0.045 14.970 -11.564 1.00 0.00 C ATOM 37 O PHE A 3 -0.020 16.161 -11.792 1.00 0.00 O ATOM 38 CB PHE A 3 2.398 14.492 -10.874 1.00 0.00 C ATOM 39 CG PHE A 3 2.659 15.978 -10.871 1.00 0.00 C ATOM 40 CD1 PHE A 3 3.498 16.544 -11.837 1.00 0.00 C ATOM 41 CD2 PHE A 3 2.060 16.792 -9.900 1.00 0.00 C ATOM 42 CE1 PHE A 3 3.738 17.923 -11.835 1.00 0.00 C ATOM 43 CE2 PHE A 3 2.301 18.171 -9.897 1.00 0.00 C ATOM 44 CZ PHE A 3 3.140 18.736 -10.865 1.00 0.00 C ATOM 0 H PHE A 3 1.547 15.469 -13.570 1.00 0.00 H new ATOM 0 HA PHE A 3 1.076 13.102 -11.858 1.00 0.00 H new ATOM 0 HB2 PHE A 3 2.092 14.164 -9.881 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.312 13.952 -11.121 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.961 15.917 -12.585 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.412 16.355 -9.154 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.385 18.360 -12.582 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.840 18.799 -9.149 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.326 19.800 -10.863 1.00 0.00 H new ATOM 54 N ILE A 4 -0.957 14.326 -11.027 1.00 0.00 N ATOM 55 CA ILE A 4 -2.217 15.046 -10.679 1.00 0.00 C ATOM 56 C ILE A 4 -3.330 14.022 -10.426 1.00 0.00 C ATOM 57 O ILE A 4 -4.201 14.228 -9.605 1.00 0.00 O ATOM 58 CB ILE A 4 -2.616 15.969 -11.836 1.00 0.00 C ATOM 59 CG1 ILE A 4 -4.084 16.383 -11.689 1.00 0.00 C ATOM 60 CG2 ILE A 4 -2.426 15.235 -13.165 1.00 0.00 C ATOM 61 CD1 ILE A 4 -4.300 17.748 -12.346 1.00 0.00 C ATOM 0 H ILE A 4 -0.957 13.329 -10.814 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.062 15.644 -9.781 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.987 16.859 -11.816 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.731 15.638 -12.153 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.356 16.428 -10.634 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.710 15.892 -13.987 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.381 14.947 -13.275 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.052 14.343 -13.181 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.345 18.041 -12.241 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.664 18.489 -11.862 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.045 17.687 -13.404 1.00 0.00 H new ATOM 73 N THR A 5 -3.306 12.925 -11.130 1.00 0.00 N ATOM 74 CA THR A 5 -4.359 11.890 -10.938 1.00 0.00 C ATOM 75 C THR A 5 -4.511 11.577 -9.448 1.00 0.00 C ATOM 76 O THR A 5 -3.608 11.795 -8.662 1.00 0.00 O ATOM 77 CB THR A 5 -3.959 10.616 -11.688 1.00 0.00 C ATOM 78 OG1 THR A 5 -2.639 10.245 -11.319 1.00 0.00 O ATOM 79 CG2 THR A 5 -4.016 10.871 -13.195 1.00 0.00 C ATOM 0 H THR A 5 -2.601 12.700 -11.832 1.00 0.00 H new ATOM 0 HA THR A 5 -5.307 12.262 -11.326 1.00 0.00 H new ATOM 0 HB THR A 5 -4.648 9.811 -11.431 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.383 9.429 -11.797 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.731 9.964 -13.728 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.030 11.155 -13.478 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.328 11.676 -13.454 1.00 0.00 H new ATOM 87 N LYS A 6 -5.646 11.067 -9.053 1.00 0.00 N ATOM 88 CA LYS A 6 -5.856 10.739 -7.614 1.00 0.00 C ATOM 89 C LYS A 6 -5.824 9.218 -7.432 1.00 0.00 C ATOM 90 O LYS A 6 -6.001 8.470 -8.374 1.00 0.00 O ATOM 91 CB LYS A 6 -7.211 11.286 -7.160 1.00 0.00 C ATOM 92 CG LYS A 6 -7.209 12.813 -7.274 1.00 0.00 C ATOM 93 CD LYS A 6 -8.345 13.393 -6.427 1.00 0.00 C ATOM 94 CE LYS A 6 -7.854 13.616 -4.994 1.00 0.00 C ATOM 95 NZ LYS A 6 -8.406 14.898 -4.475 1.00 0.00 N ATOM 0 H LYS A 6 -6.437 10.863 -9.664 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.066 11.192 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.009 10.866 -7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.409 10.988 -6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.252 13.212 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.330 13.110 -8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.688 14.335 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.197 12.713 -6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.168 12.788 -4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.765 13.641 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.073 15.051 -3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.086 15.683 -5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.445 14.857 -4.483 1.00 0.00 H new ATOM 109 N THR A 7 -5.595 8.751 -6.233 1.00 0.00 N ATOM 110 CA THR A 7 -5.545 7.277 -6.009 1.00 0.00 C ATOM 111 C THR A 7 -6.104 6.948 -4.610 1.00 0.00 C ATOM 112 O THR A 7 -6.362 7.835 -3.823 1.00 0.00 O ATOM 113 CB THR A 7 -4.082 6.801 -6.160 1.00 0.00 C ATOM 114 OG1 THR A 7 -4.044 5.657 -7.003 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.459 6.454 -4.800 1.00 0.00 C ATOM 0 H THR A 7 -5.441 9.324 -5.403 1.00 0.00 H new ATOM 0 HA THR A 7 -6.159 6.756 -6.744 1.00 0.00 H new ATOM 0 HB THR A 7 -3.504 7.614 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.300 5.078 -6.735 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.431 6.123 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.470 7.336 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.034 5.656 -4.329 1.00 0.00 H new ATOM 123 N PRO A 8 -6.271 5.673 -4.353 1.00 0.00 N ATOM 124 CA PRO A 8 -6.797 5.173 -3.066 1.00 0.00 C ATOM 125 C PRO A 8 -5.698 5.199 -1.995 1.00 0.00 C ATOM 126 O PRO A 8 -4.571 5.552 -2.279 1.00 0.00 O ATOM 127 CB PRO A 8 -7.225 3.737 -3.391 1.00 0.00 C ATOM 128 CG PRO A 8 -6.435 3.313 -4.650 1.00 0.00 C ATOM 129 CD PRO A 8 -5.948 4.608 -5.325 1.00 0.00 C ATOM 0 HA PRO A 8 -7.616 5.773 -2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.009 3.070 -2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.299 3.685 -3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.592 2.676 -4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.066 2.738 -5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.879 4.570 -5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.452 4.773 -6.277 1.00 0.00 H new ATOM 137 N PRO A 9 -6.056 4.822 -0.793 1.00 0.00 N ATOM 138 CA PRO A 9 -5.107 4.796 0.333 1.00 0.00 C ATOM 139 C PRO A 9 -4.113 3.638 0.186 1.00 0.00 C ATOM 140 O PRO A 9 -4.306 2.731 -0.600 1.00 0.00 O ATOM 141 CB PRO A 9 -6.004 4.630 1.563 1.00 0.00 C ATOM 142 CG PRO A 9 -7.335 4.034 1.055 1.00 0.00 C ATOM 143 CD PRO A 9 -7.426 4.386 -0.443 1.00 0.00 C ATOM 0 HA PRO A 9 -4.490 5.693 0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.539 3.972 2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.170 5.589 2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.358 2.954 1.202 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.181 4.449 1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.735 3.526 -1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.155 5.176 -0.624 1.00 0.00 H new ATOM 151 N ALA A 10 -3.039 3.685 0.925 1.00 0.00 N ATOM 152 CA ALA A 10 -2.000 2.619 0.831 1.00 0.00 C ATOM 153 C ALA A 10 -2.624 1.225 0.950 1.00 0.00 C ATOM 154 O ALA A 10 -2.741 0.507 -0.022 1.00 0.00 O ATOM 155 CB ALA A 10 -0.984 2.815 1.957 1.00 0.00 C ATOM 0 H ALA A 10 -2.834 4.424 1.597 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.513 2.693 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.220 2.040 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.516 3.794 1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.491 2.750 2.920 1.00 0.00 H new ATOM 161 N ALA A 11 -3.002 0.830 2.139 1.00 0.00 N ATOM 162 CA ALA A 11 -3.594 -0.528 2.324 1.00 0.00 C ATOM 163 C ALA A 11 -4.543 -0.850 1.170 1.00 0.00 C ATOM 164 O ALA A 11 -4.337 -1.790 0.431 1.00 0.00 O ATOM 165 CB ALA A 11 -4.361 -0.575 3.646 1.00 0.00 C ATOM 0 H ALA A 11 -2.926 1.389 2.989 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.792 -1.266 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.793 -1.567 3.781 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.680 -0.361 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.158 0.169 3.631 1.00 0.00 H new ATOM 171 N VAL A 12 -5.581 -0.078 1.003 1.00 0.00 N ATOM 172 CA VAL A 12 -6.532 -0.351 -0.110 1.00 0.00 C ATOM 173 C VAL A 12 -5.742 -0.586 -1.401 1.00 0.00 C ATOM 174 O VAL A 12 -5.696 -1.682 -1.920 1.00 0.00 O ATOM 175 CB VAL A 12 -7.471 0.847 -0.282 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.174 0.766 -1.640 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.522 0.834 0.832 1.00 0.00 C ATOM 0 H VAL A 12 -5.811 0.726 1.586 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.123 -1.238 0.117 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.890 1.768 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.840 1.621 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.430 0.775 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.753 -0.156 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.191 1.686 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.098 -0.090 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.026 0.897 1.801 1.00 0.00 H new ATOM 187 N LEU A 13 -5.119 0.437 -1.921 1.00 0.00 N ATOM 188 CA LEU A 13 -4.331 0.275 -3.176 1.00 0.00 C ATOM 189 C LEU A 13 -3.461 -0.975 -3.074 1.00 0.00 C ATOM 190 O LEU A 13 -3.208 -1.652 -4.050 1.00 0.00 O ATOM 191 CB LEU A 13 -3.442 1.503 -3.376 1.00 0.00 C ATOM 192 CG LEU A 13 -2.765 1.436 -4.744 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.762 2.828 -5.380 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.324 0.952 -4.574 1.00 0.00 C ATOM 0 H LEU A 13 -5.122 1.379 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.009 0.174 -4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.039 2.412 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.689 1.550 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.309 0.744 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.279 2.781 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.788 3.176 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.217 3.520 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.839 0.903 -5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.780 1.646 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.324 -0.039 -4.119 1.00 0.00 H new ATOM 206 N LEU A 14 -3.005 -1.283 -1.897 1.00 0.00 N ATOM 207 CA LEU A 14 -2.152 -2.491 -1.719 1.00 0.00 C ATOM 208 C LEU A 14 -3.000 -3.748 -1.919 1.00 0.00 C ATOM 209 O LEU A 14 -2.723 -4.563 -2.777 1.00 0.00 O ATOM 210 CB LEU A 14 -1.551 -2.490 -0.314 1.00 0.00 C ATOM 211 CG LEU A 14 -0.112 -1.982 -0.382 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.096 -0.573 -0.983 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.483 -1.942 1.027 1.00 0.00 C ATOM 0 H LEU A 14 -3.185 -0.750 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.347 -2.480 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.142 -1.856 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.574 -3.496 0.105 1.00 0.00 H new ATOM 0 HG LEU A 14 0.480 -2.651 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.931 -0.210 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.519 -0.601 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.688 0.096 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.510 -1.580 0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.108 -1.274 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.472 -2.944 1.455 1.00 0.00 H new ATOM 225 N LYS A 15 -4.036 -3.914 -1.140 1.00 0.00 N ATOM 226 CA LYS A 15 -4.898 -5.119 -1.301 1.00 0.00 C ATOM 227 C LYS A 15 -5.372 -5.196 -2.752 1.00 0.00 C ATOM 228 O LYS A 15 -5.543 -6.259 -3.312 1.00 0.00 O ATOM 229 CB LYS A 15 -6.110 -5.018 -0.371 1.00 0.00 C ATOM 230 CG LYS A 15 -6.487 -6.415 0.129 1.00 0.00 C ATOM 231 CD LYS A 15 -8.005 -6.506 0.300 1.00 0.00 C ATOM 232 CE LYS A 15 -8.464 -7.942 0.040 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.529 -8.308 1.014 1.00 0.00 N ATOM 0 H LYS A 15 -4.321 -3.270 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.330 -6.014 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.881 -4.367 0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.951 -4.570 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.145 -7.170 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.991 -6.619 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.287 -6.200 1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.501 -5.824 -0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.840 -8.036 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.621 -8.627 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.841 -9.284 0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.155 -8.234 1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.336 -7.662 0.905 1.00 0.00 H new ATOM 247 N LYS A 16 -5.584 -4.075 -3.371 1.00 0.00 N ATOM 248 CA LYS A 16 -6.034 -4.092 -4.785 1.00 0.00 C ATOM 249 C LYS A 16 -4.868 -4.498 -5.680 1.00 0.00 C ATOM 250 O LYS A 16 -4.868 -5.540 -6.304 1.00 0.00 O ATOM 251 CB LYS A 16 -6.529 -2.700 -5.182 1.00 0.00 C ATOM 252 CG LYS A 16 -8.033 -2.596 -4.924 1.00 0.00 C ATOM 253 CD LYS A 16 -8.333 -2.999 -3.479 1.00 0.00 C ATOM 254 CE LYS A 16 -9.826 -2.815 -3.200 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.598 -3.852 -3.940 1.00 0.00 N ATOM 0 H LYS A 16 -5.466 -3.149 -2.961 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.848 -4.808 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.999 -1.938 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.317 -2.514 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.374 -1.577 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.576 -3.243 -5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.046 -4.037 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.746 -2.391 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.020 -2.895 -2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.145 -1.819 -3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.576 -3.874 -3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.600 -3.625 -4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.157 -4.783 -3.795 1.00 0.00 H new ATOM 269 N ALA A 17 -3.882 -3.662 -5.748 1.00 0.00 N ATOM 270 CA ALA A 17 -2.693 -3.947 -6.603 1.00 0.00 C ATOM 271 C ALA A 17 -1.918 -5.167 -6.084 1.00 0.00 C ATOM 272 O ALA A 17 -1.916 -6.216 -6.697 1.00 0.00 O ATOM 273 CB ALA A 17 -1.767 -2.730 -6.600 1.00 0.00 C ATOM 0 H ALA A 17 -3.842 -2.777 -5.242 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.040 -4.160 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.897 -2.934 -7.224 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.301 -1.865 -6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.442 -2.522 -5.580 1.00 0.00 H new ATOM 279 N ALA A 18 -1.236 -5.026 -4.978 1.00 0.00 N ATOM 280 CA ALA A 18 -0.429 -6.162 -4.439 1.00 0.00 C ATOM 281 C ALA A 18 -1.326 -7.211 -3.778 1.00 0.00 C ATOM 282 O ALA A 18 -0.898 -8.318 -3.517 1.00 0.00 O ATOM 283 CB ALA A 18 0.565 -5.628 -3.408 1.00 0.00 C ATOM 0 H ALA A 18 -1.203 -4.171 -4.423 1.00 0.00 H new ATOM 0 HA ALA A 18 0.100 -6.633 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.157 -6.453 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.226 -4.902 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.022 -5.147 -2.594 1.00 0.00 H new ATOM 289 N GLY A 19 -2.556 -6.891 -3.497 1.00 0.00 N ATOM 290 CA GLY A 19 -3.444 -7.898 -2.845 1.00 0.00 C ATOM 291 C GLY A 19 -4.061 -8.814 -3.906 1.00 0.00 C ATOM 292 O GLY A 19 -5.013 -9.522 -3.646 1.00 0.00 O ATOM 0 H GLY A 19 -2.985 -5.985 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.873 -8.489 -2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.232 -7.393 -2.286 1.00 0.00 H new ATOM 296 N ILE A 20 -3.519 -8.811 -5.096 1.00 0.00 N ATOM 297 CA ILE A 20 -4.059 -9.680 -6.181 1.00 0.00 C ATOM 298 C ILE A 20 -5.587 -9.683 -6.140 1.00 0.00 C ATOM 299 O ILE A 20 -6.206 -8.851 -5.505 1.00 0.00 O ATOM 300 CB ILE A 20 -3.528 -11.113 -6.034 1.00 0.00 C ATOM 301 CG1 ILE A 20 -4.153 -11.795 -4.803 1.00 0.00 C ATOM 302 CG2 ILE A 20 -2.002 -11.089 -5.904 1.00 0.00 C ATOM 303 CD1 ILE A 20 -3.344 -11.490 -3.535 1.00 0.00 C ATOM 0 H ILE A 20 -2.719 -8.238 -5.364 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.730 -9.282 -7.141 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.803 -11.683 -6.922 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.180 -11.452 -4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.194 -12.873 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.630 -12.108 -5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.568 -10.633 -6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.721 -10.508 -5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.807 -11.984 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.325 -11.856 -3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.325 -10.413 -3.366 1.00 0.00 H new ATOM 315 N GLU A 21 -6.198 -10.608 -6.823 1.00 0.00 N ATOM 316 CA GLU A 21 -7.688 -10.667 -6.835 1.00 0.00 C ATOM 317 C GLU A 21 -8.193 -11.254 -5.515 1.00 0.00 C ATOM 318 O GLU A 21 -9.157 -10.781 -4.944 1.00 0.00 O ATOM 319 CB GLU A 21 -8.154 -11.546 -7.999 1.00 0.00 C ATOM 320 CG GLU A 21 -7.807 -13.008 -7.709 1.00 0.00 C ATOM 321 CD GLU A 21 -8.261 -13.885 -8.878 1.00 0.00 C ATOM 322 OE1 GLU A 21 -8.342 -13.370 -9.982 1.00 0.00 O ATOM 323 OE2 GLU A 21 -8.522 -15.054 -8.650 1.00 0.00 O ATOM 0 H GLU A 21 -5.731 -11.328 -7.375 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.088 -9.660 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.229 -11.438 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.676 -11.225 -8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.733 -13.114 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.292 -13.332 -6.788 1.00 0.00 H new ATOM 330 N SER A 22 -7.553 -12.279 -5.026 1.00 0.00 N ATOM 331 CA SER A 22 -7.999 -12.895 -3.743 1.00 0.00 C ATOM 332 C SER A 22 -7.318 -14.252 -3.570 1.00 0.00 C ATOM 333 O SER A 22 -7.958 -15.256 -3.322 1.00 0.00 O ATOM 334 CB SER A 22 -9.510 -13.093 -3.771 1.00 0.00 C ATOM 335 OG SER A 22 -10.143 -11.966 -3.177 1.00 0.00 O ATOM 0 H SER A 22 -6.740 -12.718 -5.459 1.00 0.00 H new ATOM 0 HA SER A 22 -7.732 -12.240 -2.914 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.853 -13.218 -4.798 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.779 -14.002 -3.232 1.00 0.00 H new ATOM 0 HG SER A 22 -10.102 -11.205 -3.793 1.00 0.00 H new ATOM 341 N GLY A 23 -6.025 -14.289 -3.698 1.00 0.00 N ATOM 342 CA GLY A 23 -5.293 -15.577 -3.544 1.00 0.00 C ATOM 343 C GLY A 23 -5.680 -16.222 -2.215 1.00 0.00 C ATOM 344 O GLY A 23 -5.780 -17.429 -2.104 1.00 0.00 O ATOM 0 H GLY A 23 -5.439 -13.480 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.534 -16.246 -4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.217 -15.403 -3.578 1.00 0.00 H new ATOM 348 N SER A 24 -5.902 -15.429 -1.204 1.00 0.00 N ATOM 349 CA SER A 24 -6.285 -15.996 0.118 1.00 0.00 C ATOM 350 C SER A 24 -7.764 -16.357 0.117 1.00 0.00 C ATOM 351 O SER A 24 -8.135 -17.489 0.358 1.00 0.00 O ATOM 352 CB SER A 24 -6.017 -14.968 1.218 1.00 0.00 C ATOM 353 OG SER A 24 -4.645 -15.018 1.586 1.00 0.00 O ATOM 0 H SER A 24 -5.835 -14.412 -1.237 1.00 0.00 H new ATOM 0 HA SER A 24 -5.693 -16.892 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.275 -13.969 0.868 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.645 -15.174 2.085 1.00 0.00 H new ATOM 0 HG SER A 24 -4.560 -15.411 2.480 1.00 0.00 H new ATOM 359 N GLY A 25 -8.620 -15.403 -0.113 1.00 0.00 N ATOM 360 CA GLY A 25 -10.079 -15.699 -0.081 1.00 0.00 C ATOM 361 C GLY A 25 -10.547 -15.554 1.365 1.00 0.00 C ATOM 362 O GLY A 25 -11.596 -15.006 1.644 1.00 0.00 O ATOM 0 H GLY A 25 -8.375 -14.435 -0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.623 -15.013 -0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.273 -16.707 -0.447 1.00 0.00 H new ATOM 366 N GLU A 26 -9.750 -16.022 2.290 1.00 0.00 N ATOM 367 CA GLU A 26 -10.100 -15.902 3.729 1.00 0.00 C ATOM 368 C GLU A 26 -8.888 -15.312 4.454 1.00 0.00 C ATOM 369 O GLU A 26 -7.946 -16.018 4.750 1.00 0.00 O ATOM 370 CB GLU A 26 -10.419 -17.286 4.301 1.00 0.00 C ATOM 371 CG GLU A 26 -11.367 -18.026 3.356 1.00 0.00 C ATOM 372 CD GLU A 26 -10.561 -18.948 2.441 1.00 0.00 C ATOM 373 OE1 GLU A 26 -9.371 -18.716 2.300 1.00 0.00 O ATOM 374 OE2 GLU A 26 -11.146 -19.869 1.896 1.00 0.00 O ATOM 0 H GLU A 26 -8.862 -16.487 2.103 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.974 -15.263 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.500 -17.857 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.875 -17.187 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.089 -18.607 3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.935 -17.311 2.760 1.00 0.00 H new ATOM 381 N PRO A 27 -8.935 -14.026 4.700 1.00 0.00 N ATOM 382 CA PRO A 27 -7.832 -13.308 5.367 1.00 0.00 C ATOM 383 C PRO A 27 -7.809 -13.604 6.870 1.00 0.00 C ATOM 384 O PRO A 27 -7.668 -12.715 7.685 1.00 0.00 O ATOM 385 CB PRO A 27 -8.151 -11.836 5.106 1.00 0.00 C ATOM 386 CG PRO A 27 -9.667 -11.770 4.815 1.00 0.00 C ATOM 387 CD PRO A 27 -10.086 -13.174 4.346 1.00 0.00 C ATOM 0 HA PRO A 27 -6.851 -13.603 4.994 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.893 -11.223 5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.575 -11.456 4.262 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.221 -11.478 5.708 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.882 -11.025 4.049 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -10.997 -13.506 4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.283 -13.195 3.274 1.00 0.00 H new ATOM 395 N ASN A 28 -7.934 -14.846 7.239 1.00 0.00 N ATOM 396 CA ASN A 28 -7.908 -15.200 8.684 1.00 0.00 C ATOM 397 C ASN A 28 -6.455 -15.338 9.138 1.00 0.00 C ATOM 398 O ASN A 28 -6.132 -15.141 10.294 1.00 0.00 O ATOM 399 CB ASN A 28 -8.640 -16.527 8.898 1.00 0.00 C ATOM 400 CG ASN A 28 -7.884 -17.651 8.187 1.00 0.00 C ATOM 401 OD1 ASN A 28 -8.102 -17.900 7.019 1.00 0.00 O ATOM 402 ND2 ASN A 28 -6.998 -18.344 8.848 1.00 0.00 N ATOM 0 H ASN A 28 -8.053 -15.633 6.601 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.401 -14.420 9.264 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.717 -16.744 9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.657 -16.459 8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.488 -19.095 8.383 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.815 -18.134 9.829 1.00 0.00 H new ATOM 409 N ARG A 29 -5.572 -15.672 8.236 1.00 0.00 N ATOM 410 CA ARG A 29 -4.139 -15.819 8.613 1.00 0.00 C ATOM 411 C ARG A 29 -3.380 -14.541 8.246 1.00 0.00 C ATOM 412 O ARG A 29 -2.209 -14.400 8.532 1.00 0.00 O ATOM 413 CB ARG A 29 -3.534 -17.009 7.861 1.00 0.00 C ATOM 414 CG ARG A 29 -3.889 -18.308 8.589 1.00 0.00 C ATOM 415 CD ARG A 29 -2.622 -19.138 8.806 1.00 0.00 C ATOM 416 NE ARG A 29 -1.696 -18.406 9.716 1.00 0.00 N ATOM 417 CZ ARG A 29 -0.607 -18.988 10.143 1.00 0.00 C ATOM 418 NH1 ARG A 29 0.020 -19.838 9.376 1.00 0.00 N ATOM 419 NH2 ARG A 29 -0.144 -18.716 11.333 1.00 0.00 N ATOM 0 H ARG A 29 -5.782 -15.849 7.254 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.061 -15.990 9.687 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.912 -17.037 6.839 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.451 -16.900 7.797 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.357 -18.083 9.547 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.613 -18.877 8.006 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.879 -20.107 9.234 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.133 -19.331 7.851 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.912 -17.452 10.005 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.340 -20.047 8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.870 -20.293 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.633 -18.049 11.930 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.706 -19.171 11.666 1.00 0.00 H new ATOM 433 N ASN A 30 -4.042 -13.606 7.619 1.00 0.00 N ATOM 434 CA ASN A 30 -3.360 -12.334 7.241 1.00 0.00 C ATOM 435 C ASN A 30 -2.209 -12.632 6.275 1.00 0.00 C ATOM 436 O ASN A 30 -1.831 -13.769 6.075 1.00 0.00 O ATOM 437 CB ASN A 30 -2.810 -11.658 8.498 1.00 0.00 C ATOM 438 CG ASN A 30 -3.964 -11.334 9.448 1.00 0.00 C ATOM 439 OD1 ASN A 30 -5.004 -11.958 9.394 1.00 0.00 O ATOM 440 ND2 ASN A 30 -3.824 -10.375 10.323 1.00 0.00 N ATOM 0 H ASN A 30 -5.025 -13.668 7.352 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.076 -11.672 6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.091 -12.313 8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.278 -10.745 8.230 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.588 -10.151 10.960 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.951 -9.850 10.369 1.00 0.00 H new ATOM 447 N LYS A 31 -1.654 -11.617 5.674 1.00 0.00 N ATOM 448 CA LYS A 31 -0.530 -11.839 4.720 1.00 0.00 C ATOM 449 C LYS A 31 -1.021 -12.676 3.538 1.00 0.00 C ATOM 450 O LYS A 31 -0.999 -13.890 3.575 1.00 0.00 O ATOM 451 CB LYS A 31 0.605 -12.580 5.430 1.00 0.00 C ATOM 452 CG LYS A 31 1.088 -11.755 6.624 1.00 0.00 C ATOM 453 CD LYS A 31 1.828 -12.665 7.606 1.00 0.00 C ATOM 454 CE LYS A 31 1.521 -12.226 9.036 1.00 0.00 C ATOM 455 NZ LYS A 31 2.571 -11.276 9.499 1.00 0.00 N ATOM 0 H LYS A 31 -1.929 -10.643 5.802 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.167 -10.877 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.260 -13.558 5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.429 -12.753 4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.747 -10.956 6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.240 -11.281 7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.523 -13.701 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.901 -12.619 7.423 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.541 -11.751 9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.484 -13.094 9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.363 -10.976 10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.499 -11.744 9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.585 -10.443 8.876 1.00 0.00 H new ATOM 469 N VAL A 32 -1.464 -12.040 2.487 1.00 0.00 N ATOM 470 CA VAL A 32 -1.953 -12.808 1.309 1.00 0.00 C ATOM 471 C VAL A 32 -1.133 -12.441 0.074 1.00 0.00 C ATOM 472 O VAL A 32 -1.313 -12.998 -0.990 1.00 0.00 O ATOM 473 CB VAL A 32 -3.425 -12.483 1.060 1.00 0.00 C ATOM 474 CG1 VAL A 32 -4.204 -12.610 2.369 1.00 0.00 C ATOM 475 CG2 VAL A 32 -3.545 -11.052 0.534 1.00 0.00 C ATOM 0 H VAL A 32 -1.508 -11.025 2.394 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.845 -13.874 1.508 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.833 -13.178 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.254 -12.378 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.116 -13.628 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.798 -11.914 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.594 -10.817 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.138 -10.359 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.988 -10.959 -0.399 1.00 0.00 H new ATOM 485 N ALA A 33 -0.237 -11.508 0.203 1.00 0.00 N ATOM 486 CA ALA A 33 0.589 -11.108 -0.969 1.00 0.00 C ATOM 487 C ALA A 33 1.948 -10.588 -0.498 1.00 0.00 C ATOM 488 O ALA A 33 2.070 -10.006 0.562 1.00 0.00 O ATOM 489 CB ALA A 33 -0.134 -10.010 -1.749 1.00 0.00 C ATOM 0 H ALA A 33 -0.039 -11.004 1.068 1.00 0.00 H new ATOM 0 HA ALA A 33 0.742 -11.975 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.470 -9.716 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.098 -10.383 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.290 -9.147 -1.102 1.00 0.00 H new ATOM 495 N THR A 34 2.968 -10.790 -1.285 1.00 0.00 N ATOM 496 CA THR A 34 4.323 -10.306 -0.897 1.00 0.00 C ATOM 497 C THR A 34 4.990 -9.657 -2.110 1.00 0.00 C ATOM 498 O THR A 34 4.961 -10.188 -3.204 1.00 0.00 O ATOM 499 CB THR A 34 5.172 -11.486 -0.418 1.00 0.00 C ATOM 500 OG1 THR A 34 4.676 -11.951 0.830 1.00 0.00 O ATOM 501 CG2 THR A 34 6.625 -11.040 -0.259 1.00 0.00 C ATOM 0 H THR A 34 2.922 -11.271 -2.183 1.00 0.00 H new ATOM 0 HA THR A 34 4.234 -9.577 -0.092 1.00 0.00 H new ATOM 0 HB THR A 34 5.120 -12.291 -1.151 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.218 -12.708 1.136 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.229 -11.881 0.082 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.004 -10.687 -1.218 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.680 -10.234 0.472 1.00 0.00 H new ATOM 509 N ILE A 35 5.592 -8.513 -1.931 1.00 0.00 N ATOM 510 CA ILE A 35 6.257 -7.836 -3.081 1.00 0.00 C ATOM 511 C ILE A 35 7.547 -7.167 -2.609 1.00 0.00 C ATOM 512 O ILE A 35 7.729 -6.895 -1.439 1.00 0.00 O ATOM 513 CB ILE A 35 5.330 -6.764 -3.654 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.707 -5.969 -2.505 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.219 -7.426 -4.471 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.781 -4.893 -3.072 1.00 0.00 C ATOM 0 H ILE A 35 5.652 -8.019 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 35 6.483 -8.579 -3.846 1.00 0.00 H new ATOM 0 HB ILE A 35 5.903 -6.096 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.148 -6.636 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.489 -5.509 -1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.560 -6.659 -4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.659 -7.997 -5.288 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.645 -8.095 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.337 -4.327 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.353 -4.220 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.991 -5.364 -3.657 1.00 0.00 H new ATOM 528 N LYS A 36 8.437 -6.884 -3.515 1.00 0.00 N ATOM 529 CA LYS A 36 9.703 -6.214 -3.125 1.00 0.00 C ATOM 530 C LYS A 36 9.451 -4.708 -3.067 1.00 0.00 C ATOM 531 O LYS A 36 8.384 -4.240 -3.407 1.00 0.00 O ATOM 532 CB LYS A 36 10.784 -6.526 -4.161 1.00 0.00 C ATOM 533 CG LYS A 36 11.555 -7.776 -3.730 1.00 0.00 C ATOM 534 CD LYS A 36 11.610 -8.768 -4.893 1.00 0.00 C ATOM 535 CE LYS A 36 12.866 -9.634 -4.763 1.00 0.00 C ATOM 536 NZ LYS A 36 12.476 -11.069 -4.695 1.00 0.00 N ATOM 0 H LYS A 36 8.341 -7.088 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 36 10.039 -6.571 -2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.331 -6.684 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.465 -5.681 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.565 -7.505 -3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.071 -8.236 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.720 -9.397 -4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.621 -8.232 -5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.526 -9.466 -5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.422 -9.355 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.321 -11.664 -4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.038 -11.266 -3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.797 -11.280 -5.453 1.00 0.00 H new ATOM 550 N ARG A 37 10.413 -3.945 -2.636 1.00 0.00 N ATOM 551 CA ARG A 37 10.204 -2.472 -2.560 1.00 0.00 C ATOM 552 C ARG A 37 9.809 -1.943 -3.934 1.00 0.00 C ATOM 553 O ARG A 37 9.258 -0.872 -4.062 1.00 0.00 O ATOM 554 CB ARG A 37 11.495 -1.793 -2.107 1.00 0.00 C ATOM 555 CG ARG A 37 12.593 -2.055 -3.142 1.00 0.00 C ATOM 556 CD ARG A 37 13.935 -1.570 -2.596 1.00 0.00 C ATOM 557 NE ARG A 37 14.717 -0.935 -3.692 1.00 0.00 N ATOM 558 CZ ARG A 37 15.433 0.129 -3.449 1.00 0.00 C ATOM 559 NH1 ARG A 37 14.851 1.233 -3.069 1.00 0.00 N ATOM 560 NH2 ARG A 37 16.730 0.089 -3.585 1.00 0.00 N ATOM 0 H ARG A 37 11.330 -4.273 -2.334 1.00 0.00 H new ATOM 0 HA ARG A 37 9.411 -2.257 -1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.335 -0.721 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.799 -2.176 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.645 -3.119 -3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.360 -1.539 -4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.774 -0.856 -1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.492 -2.407 -2.175 1.00 0.00 H new ATOM 0 HE ARG A 37 14.693 -1.331 -4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.837 1.264 -2.962 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.410 2.065 -2.879 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.185 -0.774 -3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.289 0.921 -3.395 1.00 0.00 H new ATOM 574 N ASP A 38 10.091 -2.685 -4.961 1.00 0.00 N ATOM 575 CA ASP A 38 9.746 -2.227 -6.339 1.00 0.00 C ATOM 576 C ASP A 38 8.252 -1.904 -6.431 1.00 0.00 C ATOM 577 O ASP A 38 7.853 -0.966 -7.093 1.00 0.00 O ATOM 578 CB ASP A 38 10.089 -3.330 -7.341 1.00 0.00 C ATOM 579 CG ASP A 38 9.766 -4.694 -6.730 1.00 0.00 C ATOM 580 OD1 ASP A 38 8.719 -4.811 -6.115 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.570 -5.597 -6.887 1.00 0.00 O ATOM 0 H ASP A 38 10.548 -3.595 -4.910 1.00 0.00 H new ATOM 0 HA ASP A 38 10.318 -1.328 -6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.522 -3.189 -8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.145 -3.279 -7.606 1.00 0.00 H new ATOM 586 N LYS A 39 7.421 -2.671 -5.781 1.00 0.00 N ATOM 587 CA LYS A 39 5.957 -2.401 -5.848 1.00 0.00 C ATOM 588 C LYS A 39 5.587 -1.306 -4.854 1.00 0.00 C ATOM 589 O LYS A 39 4.984 -0.311 -5.210 1.00 0.00 O ATOM 590 CB LYS A 39 5.203 -3.664 -5.473 1.00 0.00 C ATOM 591 CG LYS A 39 4.805 -4.424 -6.739 1.00 0.00 C ATOM 592 CD LYS A 39 3.373 -4.943 -6.592 1.00 0.00 C ATOM 593 CE LYS A 39 2.666 -4.890 -7.948 1.00 0.00 C ATOM 594 NZ LYS A 39 1.579 -3.872 -7.904 1.00 0.00 N ATOM 0 H LYS A 39 7.691 -3.471 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 39 5.697 -2.085 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.825 -4.296 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.314 -3.410 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.879 -3.770 -7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.489 -5.256 -6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.383 -5.966 -6.216 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.830 -4.341 -5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.380 -4.641 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.252 -5.868 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.456 -3.454 -8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.691 -4.325 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.830 -3.125 -7.225 1.00 0.00 H new ATOM 608 N VAL A 40 5.945 -1.470 -3.613 1.00 0.00 N ATOM 609 CA VAL A 40 5.611 -0.425 -2.614 1.00 0.00 C ATOM 610 C VAL A 40 6.370 0.838 -2.995 1.00 0.00 C ATOM 611 O VAL A 40 6.065 1.925 -2.543 1.00 0.00 O ATOM 612 CB VAL A 40 6.037 -0.884 -1.219 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.414 0.033 -0.164 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.561 -2.321 -0.989 1.00 0.00 C ATOM 0 H VAL A 40 6.451 -2.278 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 40 4.537 -0.238 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 40 7.123 -0.841 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.719 -0.296 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.751 1.057 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.328 -0.008 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.864 -2.650 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.475 -2.362 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.005 -2.976 -1.739 1.00 0.00 H new ATOM 624 N ARG A 41 7.343 0.703 -3.855 1.00 0.00 N ATOM 625 CA ARG A 41 8.106 1.901 -4.300 1.00 0.00 C ATOM 626 C ARG A 41 7.224 2.696 -5.257 1.00 0.00 C ATOM 627 O ARG A 41 6.871 3.830 -5.005 1.00 0.00 O ATOM 628 CB ARG A 41 9.389 1.470 -5.021 1.00 0.00 C ATOM 629 CG ARG A 41 10.048 2.683 -5.681 1.00 0.00 C ATOM 630 CD ARG A 41 11.541 2.411 -5.875 1.00 0.00 C ATOM 631 NE ARG A 41 12.263 3.698 -6.089 1.00 0.00 N ATOM 632 CZ ARG A 41 12.643 4.043 -7.290 1.00 0.00 C ATOM 633 NH1 ARG A 41 13.353 3.219 -8.013 1.00 0.00 N ATOM 634 NH2 ARG A 41 12.315 5.212 -7.768 1.00 0.00 N ATOM 0 H ARG A 41 7.641 -0.182 -4.266 1.00 0.00 H new ATOM 0 HA ARG A 41 8.380 2.510 -3.439 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.078 1.012 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.158 0.716 -5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.577 2.888 -6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.906 3.569 -5.062 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.943 1.898 -5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.692 1.752 -6.730 1.00 0.00 H new ATOM 0 HE ARG A 41 12.460 4.309 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.611 2.305 -7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.649 3.489 -8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.762 5.857 -7.204 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.612 5.481 -8.706 1.00 0.00 H new ATOM 648 N GLU A 42 6.849 2.088 -6.350 1.00 0.00 N ATOM 649 CA GLU A 42 5.968 2.781 -7.327 1.00 0.00 C ATOM 650 C GLU A 42 4.624 3.070 -6.662 1.00 0.00 C ATOM 651 O GLU A 42 4.057 4.135 -6.803 1.00 0.00 O ATOM 652 CB GLU A 42 5.756 1.878 -8.545 1.00 0.00 C ATOM 653 CG GLU A 42 7.046 1.810 -9.364 1.00 0.00 C ATOM 654 CD GLU A 42 6.753 2.198 -10.815 1.00 0.00 C ATOM 655 OE1 GLU A 42 5.994 1.488 -11.455 1.00 0.00 O ATOM 656 OE2 GLU A 42 7.290 3.198 -11.260 1.00 0.00 O ATOM 0 H GLU A 42 7.117 1.138 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 42 6.428 3.716 -7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.465 0.878 -8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.943 2.264 -9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.793 2.482 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.462 0.803 -9.323 1.00 0.00 H new ATOM 663 N ILE A 43 4.115 2.113 -5.939 1.00 0.00 N ATOM 664 CA ILE A 43 2.809 2.294 -5.251 1.00 0.00 C ATOM 665 C ILE A 43 2.842 3.568 -4.404 1.00 0.00 C ATOM 666 O ILE A 43 2.014 4.446 -4.557 1.00 0.00 O ATOM 667 CB ILE A 43 2.553 1.067 -4.366 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.966 -0.059 -5.222 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.566 1.412 -3.245 1.00 0.00 C ATOM 670 CD1 ILE A 43 2.376 -1.413 -4.639 1.00 0.00 C ATOM 0 H ILE A 43 4.554 1.204 -5.794 1.00 0.00 H new ATOM 0 HA ILE A 43 2.006 2.391 -5.982 1.00 0.00 H new ATOM 0 HB ILE A 43 3.497 0.750 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.879 0.022 -5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.320 0.029 -6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.395 0.531 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.979 2.212 -2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.621 1.739 -3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.958 -2.214 -5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.463 -1.492 -4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.000 -1.499 -3.620 1.00 0.00 H new ATOM 682 N ALA A 44 3.786 3.683 -3.512 1.00 0.00 N ATOM 683 CA ALA A 44 3.855 4.907 -2.668 1.00 0.00 C ATOM 684 C ALA A 44 4.043 6.125 -3.574 1.00 0.00 C ATOM 685 O ALA A 44 3.480 7.179 -3.347 1.00 0.00 O ATOM 686 CB ALA A 44 5.037 4.798 -1.703 1.00 0.00 C ATOM 0 H ALA A 44 4.509 2.986 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 44 2.934 5.013 -2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.086 5.695 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.906 3.925 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.962 4.697 -2.271 1.00 0.00 H new ATOM 692 N GLU A 45 4.831 5.981 -4.603 1.00 0.00 N ATOM 693 CA GLU A 45 5.059 7.121 -5.534 1.00 0.00 C ATOM 694 C GLU A 45 3.729 7.567 -6.137 1.00 0.00 C ATOM 695 O GLU A 45 3.439 8.743 -6.228 1.00 0.00 O ATOM 696 CB GLU A 45 6.005 6.679 -6.653 1.00 0.00 C ATOM 697 CG GLU A 45 6.789 7.887 -7.167 1.00 0.00 C ATOM 698 CD GLU A 45 5.956 8.628 -8.214 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.298 7.965 -8.999 1.00 0.00 O ATOM 700 OE2 GLU A 45 5.992 9.849 -8.215 1.00 0.00 O ATOM 0 H GLU A 45 5.327 5.122 -4.840 1.00 0.00 H new ATOM 0 HA GLU A 45 5.502 7.953 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.692 5.917 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.437 6.228 -7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.031 8.555 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.734 7.562 -7.602 1.00 0.00 H new ATOM 707 N LEU A 46 2.925 6.634 -6.553 1.00 0.00 N ATOM 708 CA LEU A 46 1.610 6.994 -7.157 1.00 0.00 C ATOM 709 C LEU A 46 0.708 7.627 -6.098 1.00 0.00 C ATOM 710 O LEU A 46 0.118 8.666 -6.312 1.00 0.00 O ATOM 711 CB LEU A 46 0.935 5.738 -7.706 1.00 0.00 C ATOM 712 CG LEU A 46 0.245 6.067 -9.031 1.00 0.00 C ATOM 713 CD1 LEU A 46 1.168 5.699 -10.195 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.056 5.268 -9.136 1.00 0.00 C ATOM 0 H LEU A 46 3.119 5.634 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 46 1.774 7.705 -7.966 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.674 4.951 -7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.207 5.361 -6.988 1.00 0.00 H new ATOM 0 HG LEU A 46 0.022 7.133 -9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.675 5.934 -11.138 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.095 6.268 -10.118 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.392 4.633 -10.158 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.550 5.500 -10.079 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.832 4.202 -9.096 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.713 5.532 -8.307 1.00 0.00 H new ATOM 726 N LYS A 47 0.581 6.996 -4.964 1.00 0.00 N ATOM 727 CA LYS A 47 -0.290 7.549 -3.888 1.00 0.00 C ATOM 728 C LYS A 47 0.446 8.661 -3.123 1.00 0.00 C ATOM 729 O LYS A 47 -0.028 9.139 -2.114 1.00 0.00 O ATOM 730 CB LYS A 47 -0.656 6.431 -2.914 1.00 0.00 C ATOM 731 CG LYS A 47 0.583 6.035 -2.112 1.00 0.00 C ATOM 732 CD LYS A 47 0.195 5.029 -1.028 1.00 0.00 C ATOM 733 CE LYS A 47 0.382 3.608 -1.562 1.00 0.00 C ATOM 734 NZ LYS A 47 -0.688 3.306 -2.552 1.00 0.00 N ATOM 0 H LYS A 47 1.045 6.117 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.191 7.964 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.448 6.763 -2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.041 5.569 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.333 5.601 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.032 6.918 -1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.809 5.179 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.842 5.183 -0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.362 3.509 -2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.346 2.892 -0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.908 2.290 -2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.542 3.852 -2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.362 3.565 -3.505 1.00 0.00 H new ATOM 748 N MET A 48 1.603 9.064 -3.573 1.00 0.00 N ATOM 749 CA MET A 48 2.356 10.127 -2.835 1.00 0.00 C ATOM 750 C MET A 48 1.597 11.459 -2.875 1.00 0.00 C ATOM 751 O MET A 48 1.380 12.067 -1.847 1.00 0.00 O ATOM 752 CB MET A 48 3.739 10.311 -3.464 1.00 0.00 C ATOM 753 CG MET A 48 4.785 10.469 -2.359 1.00 0.00 C ATOM 754 SD MET A 48 6.235 11.328 -3.021 1.00 0.00 S ATOM 755 CE MET A 48 6.383 12.570 -1.710 1.00 0.00 C ATOM 0 H MET A 48 2.060 8.709 -4.413 1.00 0.00 H new ATOM 0 HA MET A 48 2.461 9.815 -1.796 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.983 9.453 -4.090 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.742 11.188 -4.111 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.366 11.030 -1.524 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.073 9.491 -1.973 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.242 13.210 -1.911 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.478 13.176 -1.679 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.518 12.072 -0.750 1.00 0.00 H new ATOM 765 N PRO A 49 1.210 11.878 -4.053 1.00 0.00 N ATOM 766 CA PRO A 49 0.469 13.140 -4.232 1.00 0.00 C ATOM 767 C PRO A 49 -0.991 12.975 -3.792 1.00 0.00 C ATOM 768 O PRO A 49 -1.797 13.873 -3.935 1.00 0.00 O ATOM 769 CB PRO A 49 0.572 13.409 -5.737 1.00 0.00 C ATOM 770 CG PRO A 49 0.867 12.046 -6.404 1.00 0.00 C ATOM 771 CD PRO A 49 1.465 11.142 -5.306 1.00 0.00 C ATOM 0 HA PRO A 49 0.867 13.960 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.355 13.836 -6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.365 14.126 -5.950 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.044 11.609 -6.813 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.565 12.163 -7.233 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.990 10.161 -5.295 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.531 10.978 -5.462 1.00 0.00 H new ATOM 779 N ASP A 50 -1.334 11.839 -3.246 1.00 0.00 N ATOM 780 CA ASP A 50 -2.734 11.621 -2.785 1.00 0.00 C ATOM 781 C ASP A 50 -2.719 11.098 -1.344 1.00 0.00 C ATOM 782 O ASP A 50 -3.749 10.796 -0.775 1.00 0.00 O ATOM 783 CB ASP A 50 -3.418 10.595 -3.693 1.00 0.00 C ATOM 784 CG ASP A 50 -4.899 10.949 -3.837 1.00 0.00 C ATOM 785 OD1 ASP A 50 -5.624 10.785 -2.870 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.283 11.379 -4.915 1.00 0.00 O ATOM 0 H ASP A 50 -0.703 11.051 -3.099 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.281 12.563 -2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.939 10.583 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.311 9.594 -3.274 1.00 0.00 H new ATOM 791 N LEU A 51 -1.559 10.987 -0.752 1.00 0.00 N ATOM 792 CA LEU A 51 -1.482 10.482 0.647 1.00 0.00 C ATOM 793 C LEU A 51 -0.980 11.597 1.568 1.00 0.00 C ATOM 794 O LEU A 51 -0.444 12.592 1.120 1.00 0.00 O ATOM 795 CB LEU A 51 -0.512 9.296 0.708 1.00 0.00 C ATOM 796 CG LEU A 51 -0.833 8.436 1.931 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.276 7.045 1.472 1.00 0.00 C ATOM 798 CD2 LEU A 51 0.416 8.306 2.805 1.00 0.00 C ATOM 0 H LEU A 51 -0.663 11.224 -1.178 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.472 10.162 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.593 8.699 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.516 9.656 0.763 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.633 8.904 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.505 6.430 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.164 7.134 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.474 6.578 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.188 7.693 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.215 7.837 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.737 9.295 3.131 1.00 0.00 H new ATOM 810 N ASN A 52 -1.151 11.440 2.852 1.00 0.00 N ATOM 811 CA ASN A 52 -0.685 12.489 3.802 1.00 0.00 C ATOM 812 C ASN A 52 0.767 12.212 4.199 1.00 0.00 C ATOM 813 O ASN A 52 1.241 12.679 5.214 1.00 0.00 O ATOM 814 CB ASN A 52 -1.566 12.473 5.052 1.00 0.00 C ATOM 815 CG ASN A 52 -1.314 13.742 5.868 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.420 14.505 5.562 1.00 0.00 O ATOM 817 ND2 ASN A 52 -2.069 14.004 6.900 1.00 0.00 N ATOM 0 H ASN A 52 -1.594 10.629 3.285 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.750 13.466 3.323 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.617 12.412 4.769 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.347 11.591 5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.908 14.849 7.448 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.820 13.364 7.158 1.00 0.00 H new ATOM 824 N ALA A 53 1.476 11.456 3.406 1.00 0.00 N ATOM 825 CA ALA A 53 2.895 11.149 3.739 1.00 0.00 C ATOM 826 C ALA A 53 3.677 12.456 3.891 1.00 0.00 C ATOM 827 O ALA A 53 3.146 13.534 3.716 1.00 0.00 O ATOM 828 CB ALA A 53 3.513 10.314 2.616 1.00 0.00 C ATOM 0 H ALA A 53 1.133 11.038 2.541 1.00 0.00 H new ATOM 0 HA ALA A 53 2.936 10.589 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.551 10.089 2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.956 9.383 2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.472 10.874 1.682 1.00 0.00 H new ATOM 834 N ALA A 54 4.939 12.367 4.213 1.00 0.00 N ATOM 835 CA ALA A 54 5.759 13.601 4.374 1.00 0.00 C ATOM 836 C ALA A 54 6.955 13.548 3.420 1.00 0.00 C ATOM 837 O ALA A 54 7.786 14.433 3.401 1.00 0.00 O ATOM 838 CB ALA A 54 6.257 13.697 5.817 1.00 0.00 C ATOM 0 H ALA A 54 5.438 11.492 4.372 1.00 0.00 H new ATOM 0 HA ALA A 54 5.151 14.475 4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.857 14.599 5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.404 13.737 6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.866 12.823 6.051 1.00 0.00 H new ATOM 844 N SER A 55 7.049 12.513 2.627 1.00 0.00 N ATOM 845 CA SER A 55 8.184 12.396 1.676 1.00 0.00 C ATOM 846 C SER A 55 8.289 10.946 1.200 1.00 0.00 C ATOM 847 O SER A 55 7.540 10.088 1.624 1.00 0.00 O ATOM 848 CB SER A 55 9.483 12.802 2.371 1.00 0.00 C ATOM 849 OG SER A 55 9.347 12.603 3.773 1.00 0.00 O ATOM 0 H SER A 55 6.382 11.741 2.600 1.00 0.00 H new ATOM 0 HA SER A 55 8.016 13.053 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.315 12.211 1.987 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.710 13.847 2.161 1.00 0.00 H new ATOM 0 HG SER A 55 9.086 13.446 4.199 1.00 0.00 H new ATOM 855 N ILE A 56 9.208 10.667 0.322 1.00 0.00 N ATOM 856 CA ILE A 56 9.359 9.273 -0.181 1.00 0.00 C ATOM 857 C ILE A 56 9.584 8.325 1.000 1.00 0.00 C ATOM 858 O ILE A 56 8.704 7.582 1.386 1.00 0.00 O ATOM 859 CB ILE A 56 10.556 9.196 -1.131 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.352 10.176 -2.291 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.674 7.774 -1.685 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.205 9.686 -3.177 1.00 0.00 C ATOM 0 H ILE A 56 9.863 11.344 -0.071 1.00 0.00 H new ATOM 0 HA ILE A 56 8.454 8.982 -0.715 1.00 0.00 H new ATOM 0 HB ILE A 56 11.466 9.456 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.129 11.171 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.268 10.259 -2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.526 7.717 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.817 7.074 -0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.763 7.517 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.060 10.383 -4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.447 8.700 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.290 9.626 -2.588 1.00 0.00 H new ATOM 874 N GLU A 57 10.753 8.346 1.577 1.00 0.00 N ATOM 875 CA GLU A 57 11.030 7.445 2.731 1.00 0.00 C ATOM 876 C GLU A 57 9.944 7.628 3.795 1.00 0.00 C ATOM 877 O GLU A 57 9.651 6.730 4.557 1.00 0.00 O ATOM 878 CB GLU A 57 12.394 7.789 3.332 1.00 0.00 C ATOM 879 CG GLU A 57 12.751 6.760 4.408 1.00 0.00 C ATOM 880 CD GLU A 57 14.034 7.191 5.121 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.376 8.359 5.030 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.654 6.347 5.746 1.00 0.00 O ATOM 0 H GLU A 57 11.529 8.948 1.300 1.00 0.00 H new ATOM 0 HA GLU A 57 11.034 6.410 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.156 7.795 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.371 8.790 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.936 6.671 5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.886 5.777 3.956 1.00 0.00 H new ATOM 889 N ALA A 58 9.344 8.786 3.853 1.00 0.00 N ATOM 890 CA ALA A 58 8.279 9.026 4.868 1.00 0.00 C ATOM 891 C ALA A 58 7.069 8.143 4.559 1.00 0.00 C ATOM 892 O ALA A 58 6.615 7.378 5.389 1.00 0.00 O ATOM 893 CB ALA A 58 7.862 10.497 4.831 1.00 0.00 C ATOM 0 H ALA A 58 9.546 9.577 3.241 1.00 0.00 H new ATOM 0 HA ALA A 58 8.661 8.782 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.083 10.673 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.724 11.125 5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.481 10.742 3.840 1.00 0.00 H new ATOM 899 N ALA A 59 6.540 8.240 3.369 1.00 0.00 N ATOM 900 CA ALA A 59 5.362 7.402 3.013 1.00 0.00 C ATOM 901 C ALA A 59 5.736 5.929 3.147 1.00 0.00 C ATOM 902 O ALA A 59 4.982 5.129 3.658 1.00 0.00 O ATOM 903 CB ALA A 59 4.942 7.696 1.571 1.00 0.00 C ATOM 0 H ALA A 59 6.872 8.861 2.631 1.00 0.00 H new ATOM 0 HA ALA A 59 4.533 7.631 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.080 7.082 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.679 8.750 1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.768 7.466 0.897 1.00 0.00 H new ATOM 909 N MET A 60 6.906 5.574 2.704 1.00 0.00 N ATOM 910 CA MET A 60 7.352 4.157 2.802 1.00 0.00 C ATOM 911 C MET A 60 7.316 3.719 4.266 1.00 0.00 C ATOM 912 O MET A 60 7.005 2.587 4.579 1.00 0.00 O ATOM 913 CB MET A 60 8.782 4.037 2.274 1.00 0.00 C ATOM 914 CG MET A 60 8.900 2.782 1.408 1.00 0.00 C ATOM 915 SD MET A 60 9.400 3.251 -0.268 1.00 0.00 S ATOM 916 CE MET A 60 10.715 2.022 -0.464 1.00 0.00 C ATOM 0 H MET A 60 7.579 6.209 2.274 1.00 0.00 H new ATOM 0 HA MET A 60 6.691 3.523 2.211 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.041 4.920 1.691 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.485 3.986 3.105 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.630 2.097 1.839 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.946 2.255 1.381 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.171 2.131 -1.448 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.472 2.173 0.306 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.295 1.021 -0.368 1.00 0.00 H new ATOM 926 N ARG A 61 7.626 4.609 5.167 1.00 0.00 N ATOM 927 CA ARG A 61 7.604 4.244 6.611 1.00 0.00 C ATOM 928 C ARG A 61 6.176 3.871 7.013 1.00 0.00 C ATOM 929 O ARG A 61 5.903 2.755 7.406 1.00 0.00 O ATOM 930 CB ARG A 61 8.072 5.440 7.445 1.00 0.00 C ATOM 931 CG ARG A 61 9.602 5.462 7.496 1.00 0.00 C ATOM 932 CD ARG A 61 10.057 5.991 8.856 1.00 0.00 C ATOM 933 NE ARG A 61 11.467 6.461 8.762 1.00 0.00 N ATOM 934 CZ ARG A 61 11.767 7.689 9.085 1.00 0.00 C ATOM 935 NH1 ARG A 61 11.592 8.102 10.311 1.00 0.00 N ATOM 936 NH2 ARG A 61 12.240 8.504 8.183 1.00 0.00 N ATOM 0 H ARG A 61 7.893 5.573 4.966 1.00 0.00 H new ATOM 0 HA ARG A 61 8.268 3.397 6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.699 6.368 7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.665 5.374 8.454 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.997 4.459 7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.994 6.093 6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.411 6.809 9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.974 5.207 9.609 1.00 0.00 H new ATOM 0 HE ARG A 61 12.198 5.823 8.445 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.221 7.465 11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.826 9.062 10.564 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.375 8.181 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.474 9.464 8.436 1.00 0.00 H new ATOM 950 N MET A 62 5.262 4.798 6.912 1.00 0.00 N ATOM 951 CA MET A 62 3.851 4.494 7.286 1.00 0.00 C ATOM 952 C MET A 62 3.233 3.564 6.237 1.00 0.00 C ATOM 953 O MET A 62 2.208 2.952 6.464 1.00 0.00 O ATOM 954 CB MET A 62 3.048 5.797 7.352 1.00 0.00 C ATOM 955 CG MET A 62 1.589 5.479 7.688 1.00 0.00 C ATOM 956 SD MET A 62 0.614 7.004 7.634 1.00 0.00 S ATOM 957 CE MET A 62 1.141 7.556 5.993 1.00 0.00 C ATOM 0 H MET A 62 5.431 5.750 6.588 1.00 0.00 H new ATOM 0 HA MET A 62 3.830 4.006 8.260 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.471 6.460 8.107 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.107 6.322 6.399 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.190 4.754 6.978 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.522 5.026 8.677 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.393 8.232 5.579 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.095 8.076 6.073 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.253 6.693 5.337 1.00 0.00 H new ATOM 967 N ILE A 63 3.848 3.454 5.090 1.00 0.00 N ATOM 968 CA ILE A 63 3.296 2.565 4.026 1.00 0.00 C ATOM 969 C ILE A 63 3.513 1.099 4.426 1.00 0.00 C ATOM 970 O ILE A 63 2.624 0.278 4.317 1.00 0.00 O ATOM 971 CB ILE A 63 4.004 2.874 2.690 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.246 3.985 1.963 1.00 0.00 C ATOM 973 CG2 ILE A 63 4.036 1.630 1.794 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.821 3.520 1.676 1.00 0.00 C ATOM 0 H ILE A 63 4.709 3.942 4.843 1.00 0.00 H new ATOM 0 HA ILE A 63 2.227 2.740 3.907 1.00 0.00 H new ATOM 0 HB ILE A 63 5.027 3.186 2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.230 4.889 2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.753 4.237 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.539 1.869 0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.575 0.830 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.017 1.305 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.278 4.310 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.848 2.628 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.317 3.289 2.615 1.00 0.00 H new ATOM 986 N GLU A 64 4.689 0.762 4.879 1.00 0.00 N ATOM 987 CA GLU A 64 4.957 -0.650 5.274 1.00 0.00 C ATOM 988 C GLU A 64 4.063 -1.046 6.453 1.00 0.00 C ATOM 989 O GLU A 64 3.213 -1.905 6.336 1.00 0.00 O ATOM 990 CB GLU A 64 6.427 -0.799 5.676 1.00 0.00 C ATOM 991 CG GLU A 64 7.100 -1.829 4.770 1.00 0.00 C ATOM 992 CD GLU A 64 7.232 -3.158 5.517 1.00 0.00 C ATOM 993 OE1 GLU A 64 6.280 -3.920 5.504 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.285 -3.391 6.088 1.00 0.00 O ATOM 0 H GLU A 64 5.475 1.402 4.993 1.00 0.00 H new ATOM 0 HA GLU A 64 4.740 -1.302 4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.937 0.161 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.501 -1.112 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.514 -1.967 3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.084 -1.472 4.464 1.00 0.00 H new ATOM 1001 N GLY A 65 4.252 -0.429 7.587 1.00 0.00 N ATOM 1002 CA GLY A 65 3.417 -0.774 8.776 1.00 0.00 C ATOM 1003 C GLY A 65 1.956 -0.940 8.352 1.00 0.00 C ATOM 1004 O GLY A 65 1.197 -1.655 8.978 1.00 0.00 O ATOM 0 H GLY A 65 4.948 0.300 7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.780 -1.695 9.232 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.500 0.009 9.530 1.00 0.00 H new ATOM 1008 N THR A 66 1.554 -0.285 7.300 1.00 0.00 N ATOM 1009 CA THR A 66 0.142 -0.405 6.841 1.00 0.00 C ATOM 1010 C THR A 66 -0.064 -1.742 6.124 1.00 0.00 C ATOM 1011 O THR A 66 -0.963 -2.496 6.441 1.00 0.00 O ATOM 1012 CB THR A 66 -0.176 0.742 5.880 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.010 1.981 6.554 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.620 0.615 5.391 1.00 0.00 C ATOM 0 H THR A 66 2.142 0.329 6.737 1.00 0.00 H new ATOM 0 HA THR A 66 -0.521 -0.358 7.705 1.00 0.00 H new ATOM 0 HB THR A 66 0.499 0.699 5.026 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.717 2.487 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.846 1.433 4.706 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.747 -0.336 4.874 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.298 0.658 6.243 1.00 0.00 H new ATOM 1022 N ALA A 67 0.756 -2.040 5.153 1.00 0.00 N ATOM 1023 CA ALA A 67 0.600 -3.324 4.410 1.00 0.00 C ATOM 1024 C ALA A 67 0.609 -4.500 5.390 1.00 0.00 C ATOM 1025 O ALA A 67 -0.268 -5.340 5.374 1.00 0.00 O ATOM 1026 CB ALA A 67 1.755 -3.481 3.422 1.00 0.00 C ATOM 0 H ALA A 67 1.528 -1.450 4.842 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.348 -3.313 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.643 -4.419 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.747 -2.649 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.700 -3.487 3.965 1.00 0.00 H new ATOM 1032 N ARG A 68 1.598 -4.572 6.238 1.00 0.00 N ATOM 1033 CA ARG A 68 1.660 -5.700 7.209 1.00 0.00 C ATOM 1034 C ARG A 68 0.387 -5.712 8.057 1.00 0.00 C ATOM 1035 O ARG A 68 -0.001 -6.728 8.598 1.00 0.00 O ATOM 1036 CB ARG A 68 2.882 -5.527 8.112 1.00 0.00 C ATOM 1037 CG ARG A 68 3.846 -6.694 7.891 1.00 0.00 C ATOM 1038 CD ARG A 68 5.216 -6.155 7.477 1.00 0.00 C ATOM 1039 NE ARG A 68 6.269 -6.767 8.336 1.00 0.00 N ATOM 1040 CZ ARG A 68 7.158 -7.565 7.813 1.00 0.00 C ATOM 1041 NH1 ARG A 68 7.784 -7.220 6.720 1.00 0.00 N ATOM 1042 NH2 ARG A 68 7.424 -8.709 8.383 1.00 0.00 N ATOM 0 H ARG A 68 2.363 -3.901 6.300 1.00 0.00 H new ATOM 0 HA ARG A 68 1.742 -6.644 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.380 -4.583 7.892 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.573 -5.489 9.157 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.936 -7.283 8.804 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.457 -7.359 7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.408 -6.384 6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.237 -5.070 7.575 1.00 0.00 H new ATOM 0 HE ARG A 68 6.294 -6.561 9.335 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.578 -6.326 6.275 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.479 -7.845 6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.936 -8.979 9.237 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.119 -9.333 7.974 1.00 0.00 H new ATOM 1056 N SER A 69 -0.270 -4.590 8.171 1.00 0.00 N ATOM 1057 CA SER A 69 -1.521 -4.539 8.978 1.00 0.00 C ATOM 1058 C SER A 69 -2.667 -5.164 8.178 1.00 0.00 C ATOM 1059 O SER A 69 -3.759 -5.342 8.678 1.00 0.00 O ATOM 1060 CB SER A 69 -1.860 -3.083 9.304 1.00 0.00 C ATOM 1061 OG SER A 69 -2.859 -2.618 8.404 1.00 0.00 O ATOM 0 H SER A 69 0.006 -3.707 7.740 1.00 0.00 H new ATOM 0 HA SER A 69 -1.379 -5.094 9.905 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.214 -3.002 10.332 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.967 -2.463 9.225 1.00 0.00 H new ATOM 0 HG SER A 69 -2.459 -2.463 7.523 1.00 0.00 H new ATOM 1067 N MET A 70 -2.428 -5.495 6.936 1.00 0.00 N ATOM 1068 CA MET A 70 -3.507 -6.106 6.110 1.00 0.00 C ATOM 1069 C MET A 70 -3.041 -7.464 5.578 1.00 0.00 C ATOM 1070 O MET A 70 -3.163 -8.474 6.239 1.00 0.00 O ATOM 1071 CB MET A 70 -3.840 -5.179 4.939 1.00 0.00 C ATOM 1072 CG MET A 70 -4.834 -4.112 5.398 1.00 0.00 C ATOM 1073 SD MET A 70 -6.050 -3.819 4.091 1.00 0.00 S ATOM 1074 CE MET A 70 -6.598 -5.533 3.903 1.00 0.00 C ATOM 0 H MET A 70 -1.535 -5.369 6.460 1.00 0.00 H new ATOM 0 HA MET A 70 -4.397 -6.248 6.723 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.931 -4.707 4.565 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.263 -5.754 4.115 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.335 -4.435 6.310 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.308 -3.187 5.634 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.640 -5.549 3.584 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.982 -6.032 3.155 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.503 -6.052 4.857 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.509 -7.498 4.384 1.00 0.00 N ATOM 1085 CA GLY A 71 -2.042 -8.795 3.818 1.00 0.00 C ATOM 1086 C GLY A 71 -1.027 -8.531 2.703 1.00 0.00 C ATOM 1087 O GLY A 71 -1.154 -9.030 1.601 1.00 0.00 O ATOM 0 H GLY A 71 -2.379 -6.687 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.588 -9.403 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.889 -9.359 3.427 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.017 -7.754 2.983 1.00 0.00 N ATOM 1092 CA ILE A 72 1.006 -7.456 1.942 1.00 0.00 C ATOM 1093 C ILE A 72 2.361 -7.237 2.615 1.00 0.00 C ATOM 1094 O ILE A 72 2.544 -6.318 3.388 1.00 0.00 O ATOM 1095 CB ILE A 72 0.600 -6.195 1.178 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.571 -6.521 0.247 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.784 -5.687 0.350 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.877 -6.054 0.889 1.00 0.00 C ATOM 0 H ILE A 72 0.144 -7.312 3.888 1.00 0.00 H new ATOM 0 HA ILE A 72 1.078 -8.292 1.246 1.00 0.00 H new ATOM 0 HB ILE A 72 0.301 -5.424 1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.431 -6.031 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.610 -7.593 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.490 -4.789 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.618 -5.454 1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.088 -6.456 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.711 -6.286 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.017 -6.565 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.835 -4.978 1.057 1.00 0.00 H new ATOM 1110 N VAL A 73 3.308 -8.087 2.329 1.00 0.00 N ATOM 1111 CA VAL A 73 4.654 -7.949 2.949 1.00 0.00 C ATOM 1112 C VAL A 73 5.598 -7.220 1.992 1.00 0.00 C ATOM 1113 O VAL A 73 5.297 -7.033 0.828 1.00 0.00 O ATOM 1114 CB VAL A 73 5.207 -9.345 3.247 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.525 -9.229 4.012 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.192 -10.116 4.094 1.00 0.00 C ATOM 0 H VAL A 73 3.206 -8.875 1.689 1.00 0.00 H new ATOM 0 HA VAL A 73 4.573 -7.374 3.872 1.00 0.00 H new ATOM 0 HB VAL A 73 5.384 -9.873 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.913 -10.226 4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.247 -8.677 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.356 -8.701 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.580 -11.112 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.019 -9.583 5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.253 -10.203 3.547 1.00 0.00 H new ATOM 1126 N VAL A 74 6.743 -6.812 2.470 1.00 0.00 N ATOM 1127 CA VAL A 74 7.712 -6.102 1.590 1.00 0.00 C ATOM 1128 C VAL A 74 9.129 -6.560 1.937 1.00 0.00 C ATOM 1129 O VAL A 74 9.593 -6.392 3.047 1.00 0.00 O ATOM 1130 CB VAL A 74 7.603 -4.593 1.808 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.233 -3.858 0.624 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.128 -4.197 1.925 1.00 0.00 C ATOM 0 H VAL A 74 7.048 -6.941 3.435 1.00 0.00 H new ATOM 0 HA VAL A 74 7.490 -6.331 0.548 1.00 0.00 H new ATOM 0 HB VAL A 74 8.126 -4.322 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.155 -2.782 0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.283 -4.137 0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.711 -4.130 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.051 -3.121 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.604 -4.469 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.677 -4.719 2.769 1.00 0.00 H new ATOM 1142 N GLU A 75 9.818 -7.145 0.996 1.00 0.00 N ATOM 1143 CA GLU A 75 11.203 -7.626 1.272 1.00 0.00 C ATOM 1144 C GLU A 75 12.202 -6.847 0.413 1.00 0.00 C ATOM 1145 O GLU A 75 12.253 -7.009 -0.790 1.00 0.00 O ATOM 1146 CB GLU A 75 11.302 -9.116 0.944 1.00 0.00 C ATOM 1147 CG GLU A 75 10.611 -9.392 -0.392 1.00 0.00 C ATOM 1148 CD GLU A 75 11.274 -10.591 -1.074 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.481 -11.588 -0.402 1.00 0.00 O ATOM 1150 OE2 GLU A 75 11.564 -10.490 -2.254 1.00 0.00 O ATOM 0 H GLU A 75 9.482 -7.311 0.047 1.00 0.00 H new ATOM 0 HA GLU A 75 11.434 -7.469 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.348 -9.419 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.837 -9.705 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.552 -9.592 -0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.675 -8.514 -1.035 1.00 0.00 H new ATOM 1157 N ASP A 76 12.997 -6.012 1.027 1.00 0.00 N ATOM 1158 CA ASP A 76 14.001 -5.220 0.258 1.00 0.00 C ATOM 1159 C ASP A 76 13.388 -4.748 -1.063 1.00 0.00 C ATOM 1160 O ASP A 76 14.143 -4.507 -1.990 1.00 0.00 O ATOM 1161 CB ASP A 76 15.225 -6.093 -0.029 1.00 0.00 C ATOM 1162 CG ASP A 76 16.414 -5.585 0.788 1.00 0.00 C ATOM 1163 OD1 ASP A 76 16.184 -4.886 1.761 1.00 0.00 O ATOM 1164 OD2 ASP A 76 17.536 -5.904 0.428 1.00 0.00 O ATOM 1165 OXT ASP A 76 12.176 -4.636 -1.123 1.00 0.00 O ATOM 0 H ASP A 76 12.994 -5.844 2.033 1.00 0.00 H new ATOM 0 HA ASP A 76 14.301 -4.351 0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.012 -7.131 0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.463 -6.067 -1.092 1.00 0.00 H new TER 1170 ASP A 76