USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 829 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 Set 1.1: A 54 THR OG1 : rot 26:sc= 0.961 USER MOD Set 1.2: A 88 LYS NZ :NH3+ -127:sc= 1.15 (180deg=-1.21) USER MOD Single : A 1 MET CE :methyl -143:sc= -0.497 (180deg=-2.61!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.596 K(o=-0.6,f=-2.5) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.247 F(o=-1.5,f=-0.25) USER MOD Single : A 15 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.024) USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= -1.27 (180deg=-2.52!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.818 USER MOD Single : A 24 SER OG : rot -84:sc= 0.683 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= -0.938 (180deg=-0.941) USER MOD Single : A 37 MET CE :methyl -162:sc= 0 (180deg=-0.164) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0104) USER MOD Single : A 44 ASN : amide:sc= -0.1 K(o=-0.1,f=-2.1!) USER MOD Single : A 46 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 57 GLN : amide:sc= -0.0985 K(o=-0.098,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= 0.292 (180deg=-0.147) USER MOD Single : A 67 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 136:sc= -0.987! (180deg=-4.27!) USER MOD Single : A 71 TYR OH : rot 90:sc= -1.07 USER MOD Single : A 72 ASN : amide:sc= 0.798 K(o=0.8,f=-0.88) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -157:sc= -0.233 (180deg=-0.658) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.319) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.635 K(o=-0.64,f=-3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.055 -11.576 -9.497 1.00 0.00 N ATOM 2 CA MET A 1 -10.564 -11.509 -8.130 1.00 0.00 C ATOM 3 C MET A 1 -11.700 -11.722 -7.128 1.00 0.00 C ATOM 4 O MET A 1 -12.773 -11.136 -7.266 1.00 0.00 O ATOM 5 CB MET A 1 -9.919 -10.144 -7.886 1.00 0.00 C ATOM 6 CG MET A 1 -9.246 -10.092 -6.513 1.00 0.00 C ATOM 7 SD MET A 1 -8.044 -11.404 -6.371 1.00 0.00 S ATOM 8 CE MET A 1 -6.544 -10.481 -6.667 1.00 0.00 C ATOM 0 H1 MET A 1 -10.265 -11.428 -10.157 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.479 -12.510 -9.668 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.772 -10.838 -9.645 1.00 0.00 H new ATOM 0 HA MET A 1 -9.827 -12.300 -7.990 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.182 -9.942 -8.664 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.676 -9.363 -7.953 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.760 -9.126 -6.373 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.996 -10.188 -5.728 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.849 -11.092 -7.243 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.779 -9.574 -7.224 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.088 -10.213 -5.714 1.00 0.00 H new ATOM 18 N ASP A 2 -11.427 -12.564 -6.142 1.00 0.00 N ATOM 19 CA ASP A 2 -12.414 -12.862 -5.117 1.00 0.00 C ATOM 20 C ASP A 2 -11.961 -12.254 -3.789 1.00 0.00 C ATOM 21 O ASP A 2 -10.983 -12.706 -3.195 1.00 0.00 O ATOM 22 CB ASP A 2 -12.563 -14.372 -4.919 1.00 0.00 C ATOM 23 CG ASP A 2 -11.927 -15.233 -6.012 1.00 0.00 C ATOM 24 OD1 ASP A 2 -12.120 -14.989 -7.212 1.00 0.00 O ATOM 25 OD2 ASP A 2 -11.195 -16.205 -5.583 1.00 0.00 O ATOM 0 H ASP A 2 -10.537 -13.049 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.369 -12.444 -5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.121 -14.643 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.624 -14.613 -4.860 1.00 0.00 H new ATOM 31 N ILE A 3 -12.696 -11.238 -3.359 1.00 0.00 N ATOM 32 CA ILE A 3 -12.383 -10.562 -2.111 1.00 0.00 C ATOM 33 C ILE A 3 -13.588 -10.649 -1.173 1.00 0.00 C ATOM 34 O ILE A 3 -14.733 -10.631 -1.624 1.00 0.00 O ATOM 35 CB ILE A 3 -11.914 -9.131 -2.379 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.386 -9.050 -2.403 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.523 -8.156 -1.369 1.00 0.00 C ATOM 38 CD1 ILE A 3 -9.915 -7.801 -3.151 1.00 0.00 C ATOM 0 H ILE A 3 -13.508 -10.867 -3.853 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.551 -11.056 -1.609 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.268 -8.835 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.003 -9.033 -1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.978 -9.940 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.173 -7.146 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.610 -8.187 -1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.220 -8.440 -0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.826 -7.768 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.279 -7.833 -4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.304 -6.912 -2.655 1.00 0.00 H new ATOM 50 N SER A 4 -13.290 -10.742 0.114 1.00 0.00 N ATOM 51 CA SER A 4 -14.335 -10.831 1.120 1.00 0.00 C ATOM 52 C SER A 4 -13.964 -9.983 2.339 1.00 0.00 C ATOM 53 O SER A 4 -12.864 -10.111 2.875 1.00 0.00 O ATOM 54 CB SER A 4 -14.576 -12.284 1.537 1.00 0.00 C ATOM 55 OG SER A 4 -15.963 -12.581 1.662 1.00 0.00 O ATOM 0 H SER A 4 -12.340 -10.758 0.484 1.00 0.00 H new ATOM 0 HA SER A 4 -15.259 -10.447 0.687 1.00 0.00 H new ATOM 0 HB2 SER A 4 -14.127 -12.951 0.801 1.00 0.00 H new ATOM 0 HB3 SER A 4 -14.077 -12.476 2.487 1.00 0.00 H new ATOM 0 HG SER A 4 -16.074 -13.518 1.928 1.00 0.00 H new ATOM 61 N ILE A 5 -14.901 -9.137 2.739 1.00 0.00 N ATOM 62 CA ILE A 5 -14.686 -8.269 3.884 1.00 0.00 C ATOM 63 C ILE A 5 -14.836 -9.082 5.171 1.00 0.00 C ATOM 64 O ILE A 5 -15.706 -9.947 5.265 1.00 0.00 O ATOM 65 CB ILE A 5 -15.609 -7.052 3.815 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.564 -6.408 2.428 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.280 -6.049 4.922 1.00 0.00 C ATOM 68 CD1 ILE A 5 -14.125 -6.087 2.019 1.00 0.00 C ATOM 0 H ILE A 5 -15.811 -9.034 2.291 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.671 -7.871 3.874 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.632 -7.390 3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -16.012 -7.080 1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.158 -5.494 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.952 -5.194 4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.404 -6.526 5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.249 -5.712 4.813 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.121 -5.630 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.688 -5.396 2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.540 -7.006 1.996 1.00 0.00 H new ATOM 80 N ILE A 6 -13.976 -8.777 6.131 1.00 0.00 N ATOM 81 CA ILE A 6 -14.002 -9.469 7.408 1.00 0.00 C ATOM 82 C ILE A 6 -14.602 -8.546 8.471 1.00 0.00 C ATOM 83 O ILE A 6 -15.598 -8.890 9.105 1.00 0.00 O ATOM 84 CB ILE A 6 -12.609 -9.991 7.764 1.00 0.00 C ATOM 85 CG1 ILE A 6 -12.062 -10.894 6.656 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.617 -10.694 9.123 1.00 0.00 C ATOM 87 CD1 ILE A 6 -12.711 -12.279 6.707 1.00 0.00 C ATOM 0 H ILE A 6 -13.256 -8.059 6.050 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.642 -10.350 7.350 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.936 -9.138 7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.248 -10.437 5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.981 -10.991 6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.614 -11.055 9.352 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.934 -9.992 9.894 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -13.308 -11.536 9.093 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.305 -12.901 5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.502 -12.743 7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.789 -12.181 6.577 1.00 0.00 H new ATOM 99 N SER A 7 -13.970 -7.393 8.632 1.00 0.00 N ATOM 100 CA SER A 7 -14.430 -6.418 9.607 1.00 0.00 C ATOM 101 C SER A 7 -14.316 -5.006 9.029 1.00 0.00 C ATOM 102 O SER A 7 -13.610 -4.790 8.045 1.00 0.00 O ATOM 103 CB SER A 7 -13.633 -6.524 10.909 1.00 0.00 C ATOM 104 OG SER A 7 -13.640 -7.849 11.433 1.00 0.00 O ATOM 0 H SER A 7 -13.144 -7.112 8.104 1.00 0.00 H new ATOM 0 HA SER A 7 -15.475 -6.628 9.834 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.604 -6.210 10.731 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.052 -5.840 11.647 1.00 0.00 H new ATOM 0 HG SER A 7 -13.120 -7.875 12.263 1.00 0.00 H new ATOM 110 N ASP A 8 -15.022 -4.083 9.666 1.00 0.00 N ATOM 111 CA ASP A 8 -15.009 -2.697 9.226 1.00 0.00 C ATOM 112 C ASP A 8 -14.824 -1.784 10.439 1.00 0.00 C ATOM 113 O ASP A 8 -15.800 -1.324 11.029 1.00 0.00 O ATOM 114 CB ASP A 8 -16.328 -2.322 8.549 1.00 0.00 C ATOM 115 CG ASP A 8 -17.562 -2.402 9.449 1.00 0.00 C ATOM 116 OD1 ASP A 8 -18.135 -1.374 9.841 1.00 0.00 O ATOM 117 OD2 ASP A 8 -17.940 -3.597 9.753 1.00 0.00 O ATOM 0 H ASP A 8 -15.606 -4.267 10.482 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.192 -2.576 8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.244 -1.307 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.479 -2.978 7.692 1.00 0.00 H new ATOM 123 N ARG A 9 -13.564 -1.549 10.777 1.00 0.00 N ATOM 124 CA ARG A 9 -13.239 -0.699 11.909 1.00 0.00 C ATOM 125 C ARG A 9 -13.029 0.744 11.446 1.00 0.00 C ATOM 126 O ARG A 9 -12.686 0.986 10.290 1.00 0.00 O ATOM 127 CB ARG A 9 -11.974 -1.188 12.618 1.00 0.00 C ATOM 128 CG ARG A 9 -12.325 -2.026 13.849 1.00 0.00 C ATOM 129 CD ARG A 9 -11.719 -1.420 15.116 1.00 0.00 C ATOM 130 NE ARG A 9 -11.112 -2.486 15.946 1.00 0.00 N ATOM 131 CZ ARG A 9 -10.663 -2.299 17.205 1.00 0.00 C ATOM 132 NH1 ARG A 9 -10.748 -1.087 17.791 1.00 0.00 N ATOM 133 NH2 ARG A 9 -10.138 -3.322 17.855 1.00 0.00 N ATOM 0 H ARG A 9 -12.756 -1.933 10.286 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.075 -0.742 12.608 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.373 -1.781 11.929 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.367 -0.334 12.916 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.408 -2.089 13.954 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.958 -3.044 13.717 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.964 -0.680 14.850 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.489 -0.899 15.685 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.028 -3.419 15.541 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.154 -0.302 17.282 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.406 -0.956 18.743 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.077 -4.235 17.405 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.794 -3.199 18.807 1.00 0.00 H new ATOM 146 N ASN A 10 -13.247 1.666 12.373 1.00 0.00 N ATOM 147 CA ASN A 10 -13.087 3.079 12.075 1.00 0.00 C ATOM 148 C ASN A 10 -12.175 3.717 13.124 1.00 0.00 C ATOM 149 O ASN A 10 -12.360 3.510 14.322 1.00 0.00 O ATOM 150 CB ASN A 10 -14.433 3.806 12.114 1.00 0.00 C ATOM 151 CG ASN A 10 -14.236 5.321 12.187 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.307 5.880 11.628 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.160 5.953 12.906 1.00 0.00 N ATOM 0 H ASN A 10 -13.533 1.462 13.331 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.658 3.166 11.077 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.013 3.553 11.226 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.008 3.468 12.976 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.116 6.966 13.015 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.912 5.424 13.348 1.00 0.00 H new ATOM 160 N ASN A 11 -11.209 4.483 12.635 1.00 0.00 N ATOM 161 CA ASN A 11 -10.267 5.152 13.516 1.00 0.00 C ATOM 162 C ASN A 11 -10.326 6.660 13.265 1.00 0.00 C ATOM 163 O ASN A 11 -9.611 7.179 12.409 1.00 0.00 O ATOM 164 CB ASN A 11 -8.836 4.683 13.250 1.00 0.00 C ATOM 165 CG ASN A 11 -8.616 3.264 13.776 1.00 0.00 C ATOM 166 OD1 ASN A 11 -9.220 2.321 13.058 1.00 0.00 O flip ATOM 167 ND2 ASN A 11 -7.943 3.039 14.768 1.00 0.00 N flip ATOM 0 H ASN A 11 -11.059 4.655 11.641 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.538 4.914 14.545 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.633 4.713 12.179 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.132 5.365 13.727 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.506 3.810 15.274 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.817 2.080 15.092 1.00 0.00 H new ATOM 174 N PRO A 12 -11.205 7.340 14.049 1.00 0.00 N ATOM 175 CA PRO A 12 -11.366 8.778 13.920 1.00 0.00 C ATOM 176 C PRO A 12 -10.183 9.520 14.545 1.00 0.00 C ATOM 177 O PRO A 12 -9.716 10.520 14.002 1.00 0.00 O ATOM 178 CB PRO A 12 -12.689 9.089 14.601 1.00 0.00 C ATOM 179 CG PRO A 12 -12.992 7.892 15.487 1.00 0.00 C ATOM 180 CD PRO A 12 -12.067 6.759 15.074 1.00 0.00 C ATOM 0 HA PRO A 12 -11.381 9.108 12.881 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.620 10.004 15.190 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.480 9.242 13.867 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.840 8.146 16.536 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.034 7.592 15.380 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.485 6.394 15.920 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.629 5.911 14.684 1.00 0.00 H new ATOM 188 N LEU A 13 -9.732 9.001 15.678 1.00 0.00 N ATOM 189 CA LEU A 13 -8.613 9.603 16.383 1.00 0.00 C ATOM 190 C LEU A 13 -7.558 10.049 15.369 1.00 0.00 C ATOM 191 O LEU A 13 -7.350 11.244 15.168 1.00 0.00 O ATOM 192 CB LEU A 13 -8.075 8.645 17.448 1.00 0.00 C ATOM 193 CG LEU A 13 -9.029 8.320 18.600 1.00 0.00 C ATOM 194 CD1 LEU A 13 -9.687 6.954 18.397 1.00 0.00 C ATOM 195 CD2 LEU A 13 -8.314 8.418 19.949 1.00 0.00 C ATOM 0 H LEU A 13 -10.121 8.171 16.125 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.936 10.494 16.921 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.794 7.711 16.960 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.164 9.073 17.866 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.826 9.064 18.604 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.360 6.747 19.229 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.253 6.957 17.465 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.918 6.183 18.352 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.015 8.182 20.750 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.484 7.712 19.973 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.933 9.430 20.086 1.00 0.00 H new ATOM 207 N LEU A 14 -6.919 9.064 14.755 1.00 0.00 N ATOM 208 CA LEU A 14 -5.890 9.339 13.766 1.00 0.00 C ATOM 209 C LEU A 14 -6.543 9.893 12.498 1.00 0.00 C ATOM 210 O LEU A 14 -5.874 10.507 11.669 1.00 0.00 O ATOM 211 CB LEU A 14 -5.032 8.096 13.525 1.00 0.00 C ATOM 212 CG LEU A 14 -4.649 7.293 14.769 1.00 0.00 C ATOM 213 CD1 LEU A 14 -5.061 5.827 14.625 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.157 7.441 15.079 1.00 0.00 C ATOM 0 H LEU A 14 -7.094 8.073 14.923 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.204 10.104 14.131 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.567 7.436 12.842 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.117 8.403 13.019 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.197 7.699 15.619 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.777 5.279 15.523 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.141 5.764 14.488 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.560 5.391 13.761 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.911 6.860 15.968 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.572 7.077 14.234 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.925 8.491 15.256 1.00 0.00 H new ATOM 226 N GLN A 15 -7.842 9.655 12.388 1.00 0.00 N ATOM 227 CA GLN A 15 -8.592 10.121 11.235 1.00 0.00 C ATOM 228 C GLN A 15 -8.396 9.169 10.053 1.00 0.00 C ATOM 229 O GLN A 15 -8.381 9.599 8.900 1.00 0.00 O ATOM 230 CB GLN A 15 -8.190 11.549 10.860 1.00 0.00 C ATOM 231 CG GLN A 15 -9.423 12.444 10.710 1.00 0.00 C ATOM 232 CD GLN A 15 -9.202 13.798 11.388 1.00 0.00 C ATOM 233 OE1 GLN A 15 -9.271 14.849 10.772 1.00 0.00 O ATOM 234 NE2 GLN A 15 -8.936 13.714 12.689 1.00 0.00 N ATOM 0 H GLN A 15 -8.394 9.146 13.078 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.650 10.132 11.496 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.530 11.958 11.625 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.628 11.539 9.926 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.642 12.594 9.653 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.291 11.951 11.148 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.893 12.802 13.143 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.775 14.562 13.232 1.00 0.00 H new ATOM 243 N ARG A 16 -8.252 7.893 10.380 1.00 0.00 N ATOM 244 CA ARG A 16 -8.058 6.876 9.361 1.00 0.00 C ATOM 245 C ARG A 16 -9.093 5.761 9.519 1.00 0.00 C ATOM 246 O ARG A 16 -9.761 5.671 10.549 1.00 0.00 O ATOM 247 CB ARG A 16 -6.654 6.274 9.443 1.00 0.00 C ATOM 248 CG ARG A 16 -5.588 7.372 9.483 1.00 0.00 C ATOM 249 CD ARG A 16 -4.182 6.771 9.468 1.00 0.00 C ATOM 250 NE ARG A 16 -3.721 6.525 10.854 1.00 0.00 N ATOM 251 CZ ARG A 16 -2.811 5.587 11.193 1.00 0.00 C ATOM 252 NH1 ARG A 16 -2.255 4.798 10.249 1.00 0.00 N ATOM 253 NH2 ARG A 16 -2.474 5.453 12.462 1.00 0.00 N ATOM 0 H ARG A 16 -8.266 7.540 11.337 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.180 7.354 8.389 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.573 5.651 10.334 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.482 5.626 8.584 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.713 8.036 8.628 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.719 7.978 10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.183 5.838 8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.494 7.448 8.962 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.116 7.100 11.598 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.522 4.908 9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.568 4.092 10.514 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.899 6.053 13.169 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.788 4.749 12.736 1.00 0.00 H new ATOM 266 N ARG A 17 -9.195 4.939 8.485 1.00 0.00 N ATOM 267 CA ARG A 17 -10.137 3.834 8.497 1.00 0.00 C ATOM 268 C ARG A 17 -9.392 2.499 8.415 1.00 0.00 C ATOM 269 O ARG A 17 -8.586 2.290 7.510 1.00 0.00 O ATOM 270 CB ARG A 17 -11.118 3.934 7.327 1.00 0.00 C ATOM 271 CG ARG A 17 -12.558 3.726 7.801 1.00 0.00 C ATOM 272 CD ARG A 17 -13.405 4.975 7.546 1.00 0.00 C ATOM 273 NE ARG A 17 -14.242 4.782 6.341 1.00 0.00 N ATOM 274 CZ ARG A 17 -15.248 5.606 5.978 1.00 0.00 C ATOM 275 NH1 ARG A 17 -15.552 6.687 6.726 1.00 0.00 N ATOM 276 NH2 ARG A 17 -15.930 5.337 4.880 1.00 0.00 N ATOM 0 H ARG A 17 -8.640 5.017 7.633 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.696 3.886 9.431 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.025 4.911 6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.868 3.188 6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.996 2.873 7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.564 3.489 8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.038 5.178 8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.758 5.842 7.414 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.047 3.976 5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.020 6.887 7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.314 7.304 6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.694 4.517 4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.693 5.949 4.591 1.00 0.00 H new ATOM 289 N GLU A 18 -9.688 1.633 9.372 1.00 0.00 N ATOM 290 CA GLU A 18 -9.056 0.326 9.420 1.00 0.00 C ATOM 291 C GLU A 18 -10.061 -0.764 9.040 1.00 0.00 C ATOM 292 O GLU A 18 -10.954 -1.089 9.820 1.00 0.00 O ATOM 293 CB GLU A 18 -8.454 0.058 10.801 1.00 0.00 C ATOM 294 CG GLU A 18 -7.248 0.963 11.058 1.00 0.00 C ATOM 295 CD GLU A 18 -6.368 0.401 12.177 1.00 0.00 C ATOM 296 OE1 GLU A 18 -6.878 0.062 13.255 1.00 0.00 O ATOM 297 OE2 GLU A 18 -5.112 0.319 11.894 1.00 0.00 O ATOM 0 H GLU A 18 -10.357 1.811 10.121 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.242 0.311 8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.209 0.225 11.569 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.151 -0.987 10.873 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.662 1.062 10.144 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.590 1.963 11.327 1.00 0.00 H new ATOM 305 N ILE A 19 -9.882 -1.297 7.840 1.00 0.00 N ATOM 306 CA ILE A 19 -10.760 -2.343 7.347 1.00 0.00 C ATOM 307 C ILE A 19 -9.925 -3.565 6.958 1.00 0.00 C ATOM 308 O ILE A 19 -8.911 -3.435 6.275 1.00 0.00 O ATOM 309 CB ILE A 19 -11.639 -1.812 6.212 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.528 -0.665 6.698 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.455 -2.940 5.577 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.588 -0.313 5.652 1.00 0.00 C ATOM 0 H ILE A 19 -9.141 -1.023 7.195 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.447 -2.664 8.130 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.988 -1.409 5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.013 -0.947 7.632 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.915 0.211 6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.071 -2.536 4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.780 -3.694 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.096 -3.395 6.332 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.207 0.505 6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.099 -0.008 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.215 -1.184 5.461 1.00 0.00 H new ATOM 324 N LYS A 20 -10.384 -4.722 7.410 1.00 0.00 N ATOM 325 CA LYS A 20 -9.693 -5.967 7.117 1.00 0.00 C ATOM 326 C LYS A 20 -10.553 -6.816 6.179 1.00 0.00 C ATOM 327 O LYS A 20 -11.775 -6.843 6.308 1.00 0.00 O ATOM 328 CB LYS A 20 -9.305 -6.682 8.414 1.00 0.00 C ATOM 329 CG LYS A 20 -7.958 -7.391 8.267 1.00 0.00 C ATOM 330 CD LYS A 20 -8.137 -8.795 7.686 1.00 0.00 C ATOM 331 CE LYS A 20 -9.092 -9.626 8.544 1.00 0.00 C ATOM 332 NZ LYS A 20 -8.498 -10.946 8.850 1.00 0.00 N ATOM 0 H LYS A 20 -11.226 -4.824 7.977 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.756 -5.769 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.253 -5.961 9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.075 -7.407 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.304 -6.806 7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.469 -7.456 9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.523 -8.725 6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.170 -9.293 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.312 -9.096 9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.039 -9.759 8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.949 -11.341 9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.649 -11.589 8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.478 -10.837 9.018 1.00 0.00 H new ATOM 345 N PHE A 21 -9.879 -7.488 5.257 1.00 0.00 N ATOM 346 CA PHE A 21 -10.567 -8.336 4.298 1.00 0.00 C ATOM 347 C PHE A 21 -9.629 -9.412 3.747 1.00 0.00 C ATOM 348 O PHE A 21 -8.462 -9.479 4.129 1.00 0.00 O ATOM 349 CB PHE A 21 -11.019 -7.433 3.148 1.00 0.00 C ATOM 350 CG PHE A 21 -9.889 -7.003 2.212 1.00 0.00 C ATOM 351 CD1 PHE A 21 -9.911 -7.371 0.903 1.00 0.00 C ATOM 352 CD2 PHE A 21 -8.861 -6.250 2.690 1.00 0.00 C ATOM 353 CE1 PHE A 21 -8.861 -6.970 0.035 1.00 0.00 C ATOM 354 CE2 PHE A 21 -7.810 -5.850 1.821 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.833 -6.219 0.512 1.00 0.00 C ATOM 0 H PHE A 21 -8.865 -7.463 5.154 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.408 -8.836 4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.779 -7.955 2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.491 -6.543 3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.727 -7.968 0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.844 -5.957 3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.879 -7.262 -1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.993 -5.253 2.200 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.034 -5.915 -0.149 1.00 0.00 H new ATOM 365 N THR A 22 -10.175 -10.227 2.857 1.00 0.00 N ATOM 366 CA THR A 22 -9.403 -11.298 2.249 1.00 0.00 C ATOM 367 C THR A 22 -9.457 -11.196 0.724 1.00 0.00 C ATOM 368 O THR A 22 -10.362 -10.571 0.172 1.00 0.00 O ATOM 369 CB THR A 22 -9.933 -12.628 2.789 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.982 -13.003 3.783 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.852 -13.753 1.755 1.00 0.00 C ATOM 0 H THR A 22 -11.143 -10.168 2.542 1.00 0.00 H new ATOM 0 HA THR A 22 -8.348 -11.222 2.510 1.00 0.00 H new ATOM 0 HB THR A 22 -10.967 -12.503 3.110 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.249 -13.855 4.187 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.240 -14.674 2.189 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.444 -13.486 0.880 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.813 -13.901 1.459 1.00 0.00 H new ATOM 379 N VAL A 23 -8.478 -11.819 0.086 1.00 0.00 N ATOM 380 CA VAL A 23 -8.404 -11.806 -1.365 1.00 0.00 C ATOM 381 C VAL A 23 -7.821 -13.134 -1.854 1.00 0.00 C ATOM 382 O VAL A 23 -6.807 -13.598 -1.337 1.00 0.00 O ATOM 383 CB VAL A 23 -7.601 -10.592 -1.838 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.206 -10.580 -1.209 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.515 -10.551 -3.365 1.00 0.00 C ATOM 0 H VAL A 23 -7.729 -12.336 0.547 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.400 -11.709 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.125 -9.695 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.656 -9.708 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.297 -10.538 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.671 -11.486 -1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.939 -9.679 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.025 -11.455 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.519 -10.490 -3.784 1.00 0.00 H new ATOM 395 N SER A 24 -8.490 -13.708 -2.844 1.00 0.00 N ATOM 396 CA SER A 24 -8.052 -14.974 -3.408 1.00 0.00 C ATOM 397 C SER A 24 -8.073 -14.900 -4.936 1.00 0.00 C ATOM 398 O SER A 24 -8.875 -14.171 -5.515 1.00 0.00 O ATOM 399 CB SER A 24 -8.930 -16.127 -2.920 1.00 0.00 C ATOM 400 OG SER A 24 -9.035 -17.165 -3.890 1.00 0.00 O ATOM 0 H SER A 24 -9.332 -13.320 -3.270 1.00 0.00 H new ATOM 0 HA SER A 24 -7.032 -15.164 -3.074 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.515 -16.533 -1.998 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.925 -15.750 -2.683 1.00 0.00 H new ATOM 0 HG SER A 24 -9.747 -16.947 -4.527 1.00 0.00 H new ATOM 406 N PHE A 25 -7.180 -15.668 -5.545 1.00 0.00 N ATOM 407 CA PHE A 25 -7.086 -15.699 -6.995 1.00 0.00 C ATOM 408 C PHE A 25 -6.356 -16.958 -7.470 1.00 0.00 C ATOM 409 O PHE A 25 -5.723 -17.650 -6.674 1.00 0.00 O ATOM 410 CB PHE A 25 -6.281 -14.468 -7.418 1.00 0.00 C ATOM 411 CG PHE A 25 -4.948 -14.314 -6.683 1.00 0.00 C ATOM 412 CD1 PHE A 25 -3.914 -15.152 -6.965 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.796 -13.339 -5.746 1.00 0.00 C ATOM 414 CE1 PHE A 25 -2.677 -15.009 -6.283 1.00 0.00 C ATOM 415 CE2 PHE A 25 -3.559 -13.196 -5.065 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.525 -14.034 -5.348 1.00 0.00 C ATOM 0 H PHE A 25 -6.516 -16.273 -5.061 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.084 -15.702 -7.432 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.089 -14.523 -8.490 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.884 -13.576 -7.247 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.034 -15.926 -7.708 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.617 -12.674 -5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.857 -15.675 -6.507 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.438 -12.422 -4.322 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.584 -13.925 -4.830 1.00 0.00 H new ATOM 426 N ASP A 26 -6.471 -17.216 -8.763 1.00 0.00 N ATOM 427 CA ASP A 26 -5.830 -18.379 -9.354 1.00 0.00 C ATOM 428 C ASP A 26 -4.815 -17.920 -10.403 1.00 0.00 C ATOM 429 O ASP A 26 -5.192 -17.535 -11.509 1.00 0.00 O ATOM 430 CB ASP A 26 -6.854 -19.279 -10.049 1.00 0.00 C ATOM 431 CG ASP A 26 -8.012 -19.745 -9.164 1.00 0.00 C ATOM 432 OD1 ASP A 26 -7.814 -20.122 -7.999 1.00 0.00 O ATOM 433 OD2 ASP A 26 -9.174 -19.712 -9.723 1.00 0.00 O ATOM 0 H ASP A 26 -6.998 -16.640 -9.419 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.343 -18.937 -8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.264 -18.744 -10.905 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.338 -20.157 -10.439 1.00 0.00 H new ATOM 439 N ALA A 27 -3.549 -17.976 -10.018 1.00 0.00 N ATOM 440 CA ALA A 27 -2.477 -17.571 -10.911 1.00 0.00 C ATOM 441 C ALA A 27 -2.622 -16.082 -11.232 1.00 0.00 C ATOM 442 O ALA A 27 -3.716 -15.528 -11.144 1.00 0.00 O ATOM 443 CB ALA A 27 -2.502 -18.444 -12.168 1.00 0.00 C ATOM 0 H ALA A 27 -3.241 -18.296 -9.100 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.507 -17.713 -10.435 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.698 -18.140 -12.838 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.366 -19.489 -11.888 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.460 -18.326 -12.674 1.00 0.00 H new ATOM 449 N ALA A 28 -1.501 -15.477 -11.597 1.00 0.00 N ATOM 450 CA ALA A 28 -1.489 -14.063 -11.932 1.00 0.00 C ATOM 451 C ALA A 28 -1.642 -13.240 -10.652 1.00 0.00 C ATOM 452 O ALA A 28 -2.748 -13.089 -10.134 1.00 0.00 O ATOM 453 CB ALA A 28 -2.594 -13.769 -12.949 1.00 0.00 C ATOM 0 H ALA A 28 -0.595 -15.940 -11.668 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.541 -13.786 -12.392 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.585 -12.708 -13.200 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.424 -14.357 -13.851 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.561 -14.032 -12.521 1.00 0.00 H new ATOM 459 N THR A 29 -0.516 -12.726 -10.178 1.00 0.00 N ATOM 460 CA THR A 29 -0.511 -11.922 -8.968 1.00 0.00 C ATOM 461 C THR A 29 -0.549 -10.433 -9.318 1.00 0.00 C ATOM 462 O THR A 29 0.385 -9.910 -9.924 1.00 0.00 O ATOM 463 CB THR A 29 0.713 -12.321 -8.140 1.00 0.00 C ATOM 464 OG1 THR A 29 0.259 -13.423 -7.360 1.00 0.00 O ATOM 465 CG2 THR A 29 1.089 -11.260 -7.104 1.00 0.00 C ATOM 0 H THR A 29 0.399 -12.851 -10.611 1.00 0.00 H new ATOM 0 HA THR A 29 -1.402 -12.106 -8.367 1.00 0.00 H new ATOM 0 HB THR A 29 1.560 -12.496 -8.804 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.990 -13.746 -6.793 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.963 -11.592 -6.544 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.317 -10.322 -7.610 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.255 -11.109 -6.419 1.00 0.00 H new ATOM 473 N PRO A 30 -1.667 -9.775 -8.910 1.00 0.00 N ATOM 474 CA PRO A 30 -1.839 -8.357 -9.173 1.00 0.00 C ATOM 475 C PRO A 30 -0.964 -7.516 -8.243 1.00 0.00 C ATOM 476 O PRO A 30 -0.013 -8.025 -7.650 1.00 0.00 O ATOM 477 CB PRO A 30 -3.325 -8.099 -8.984 1.00 0.00 C ATOM 478 CG PRO A 30 -3.852 -9.272 -8.174 1.00 0.00 C ATOM 479 CD PRO A 30 -2.793 -10.362 -8.189 1.00 0.00 C ATOM 0 HA PRO A 30 -1.524 -8.075 -10.178 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.495 -7.157 -8.463 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.834 -8.028 -9.945 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.068 -8.963 -7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.785 -9.641 -8.599 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.508 -10.651 -7.177 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.157 -11.261 -8.687 1.00 0.00 H new ATOM 487 N SER A 31 -1.314 -6.242 -8.144 1.00 0.00 N ATOM 488 CA SER A 31 -0.571 -5.325 -7.296 1.00 0.00 C ATOM 489 C SER A 31 -1.527 -4.597 -6.349 1.00 0.00 C ATOM 490 O SER A 31 -2.740 -4.798 -6.410 1.00 0.00 O ATOM 491 CB SER A 31 0.217 -4.316 -8.133 1.00 0.00 C ATOM 492 OG SER A 31 0.896 -4.940 -9.220 1.00 0.00 O ATOM 0 H SER A 31 -2.102 -5.823 -8.637 1.00 0.00 H new ATOM 0 HA SER A 31 0.142 -5.904 -6.709 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.462 -3.555 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.941 -3.805 -7.498 1.00 0.00 H new ATOM 0 HG SER A 31 1.386 -4.263 -9.732 1.00 0.00 H new ATOM 498 N ILE A 32 -0.947 -3.767 -5.496 1.00 0.00 N ATOM 499 CA ILE A 32 -1.732 -3.007 -4.538 1.00 0.00 C ATOM 500 C ILE A 32 -2.624 -2.016 -5.288 1.00 0.00 C ATOM 501 O ILE A 32 -3.835 -1.982 -5.076 1.00 0.00 O ATOM 502 CB ILE A 32 -0.821 -2.351 -3.498 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.298 -3.303 -3.071 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.630 -1.844 -2.303 1.00 0.00 C ATOM 505 CD1 ILE A 32 0.900 -2.874 -1.731 1.00 0.00 C ATOM 0 H ILE A 32 0.059 -3.604 -5.448 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.392 -3.668 -3.977 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.347 -1.483 -3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.093 -4.317 -2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.076 -3.321 -3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.959 -1.382 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.359 -1.108 -2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.150 -2.680 -1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.693 -3.567 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.312 -1.869 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.124 -2.880 -0.965 1.00 0.00 H new ATOM 517 N LYS A 33 -1.990 -1.233 -6.148 1.00 0.00 N ATOM 518 CA LYS A 33 -2.712 -0.243 -6.930 1.00 0.00 C ATOM 519 C LYS A 33 -3.765 -0.946 -7.788 1.00 0.00 C ATOM 520 O LYS A 33 -4.880 -0.450 -7.938 1.00 0.00 O ATOM 521 CB LYS A 33 -1.736 0.617 -7.736 1.00 0.00 C ATOM 522 CG LYS A 33 -2.434 1.856 -8.301 1.00 0.00 C ATOM 523 CD LYS A 33 -3.191 1.520 -9.587 1.00 0.00 C ATOM 524 CE LYS A 33 -2.482 2.107 -10.810 1.00 0.00 C ATOM 525 NZ LYS A 33 -3.226 3.278 -11.327 1.00 0.00 N ATOM 0 H LYS A 33 -0.985 -1.264 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.244 0.447 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.904 0.922 -7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.315 0.029 -8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.127 2.257 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.697 2.634 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.272 0.438 -9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.207 1.911 -9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.467 2.402 -10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.399 1.349 -11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.732 3.665 -12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.186 2.986 -11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.283 4.007 -10.587 1.00 0.00 H new ATOM 538 N ASP A 34 -3.374 -2.091 -8.328 1.00 0.00 N ATOM 539 CA ASP A 34 -4.272 -2.868 -9.167 1.00 0.00 C ATOM 540 C ASP A 34 -5.326 -3.545 -8.288 1.00 0.00 C ATOM 541 O ASP A 34 -6.436 -3.816 -8.742 1.00 0.00 O ATOM 542 CB ASP A 34 -3.513 -3.961 -9.921 1.00 0.00 C ATOM 543 CG ASP A 34 -3.560 -3.845 -11.447 1.00 0.00 C ATOM 544 OD1 ASP A 34 -4.471 -3.223 -12.011 1.00 0.00 O ATOM 545 OD2 ASP A 34 -2.596 -4.435 -12.068 1.00 0.00 O ATOM 0 H ASP A 34 -2.448 -2.500 -8.201 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.735 -2.190 -9.884 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.471 -3.945 -9.602 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.920 -4.930 -9.632 1.00 0.00 H new ATOM 551 N VAL A 35 -4.940 -3.799 -7.046 1.00 0.00 N ATOM 552 CA VAL A 35 -5.838 -4.438 -6.100 1.00 0.00 C ATOM 553 C VAL A 35 -6.824 -3.402 -5.556 1.00 0.00 C ATOM 554 O VAL A 35 -8.001 -3.701 -5.364 1.00 0.00 O ATOM 555 CB VAL A 35 -5.031 -5.131 -4.999 1.00 0.00 C ATOM 556 CG1 VAL A 35 -5.869 -5.300 -3.730 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.488 -6.477 -5.481 1.00 0.00 C ATOM 0 H VAL A 35 -4.018 -3.574 -6.673 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.423 -5.214 -6.594 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.180 -4.495 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.273 -5.795 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.184 -4.321 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.748 -5.905 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.919 -6.948 -4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.318 -7.124 -5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.839 -6.320 -6.343 1.00 0.00 H new ATOM 567 N LYS A 36 -6.306 -2.205 -5.325 1.00 0.00 N ATOM 568 CA LYS A 36 -7.125 -1.122 -4.809 1.00 0.00 C ATOM 569 C LYS A 36 -8.291 -0.869 -5.766 1.00 0.00 C ATOM 570 O LYS A 36 -9.349 -0.397 -5.351 1.00 0.00 O ATOM 571 CB LYS A 36 -6.270 0.117 -4.540 1.00 0.00 C ATOM 572 CG LYS A 36 -6.470 1.169 -5.633 1.00 0.00 C ATOM 573 CD LYS A 36 -5.255 2.093 -5.735 1.00 0.00 C ATOM 574 CE LYS A 36 -5.565 3.472 -5.151 1.00 0.00 C ATOM 575 NZ LYS A 36 -4.822 4.523 -5.881 1.00 0.00 N ATOM 0 H LYS A 36 -5.329 -1.961 -5.486 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.556 -1.397 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.532 0.540 -3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.219 -0.166 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.638 0.676 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.362 1.758 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.412 1.651 -5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.957 2.195 -6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.636 3.667 -5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.296 3.495 -4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.426 5.204 -5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.050 4.088 -6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.467 5.017 -6.530 1.00 0.00 H new ATOM 588 N MET A 37 -8.059 -1.193 -7.029 1.00 0.00 N ATOM 589 CA MET A 37 -9.077 -1.006 -8.050 1.00 0.00 C ATOM 590 C MET A 37 -10.395 -1.664 -7.636 1.00 0.00 C ATOM 591 O MET A 37 -11.432 -1.006 -7.584 1.00 0.00 O ATOM 592 CB MET A 37 -8.595 -1.613 -9.369 1.00 0.00 C ATOM 593 CG MET A 37 -7.546 -0.719 -10.033 1.00 0.00 C ATOM 594 SD MET A 37 -8.040 -0.337 -11.705 1.00 0.00 S ATOM 595 CE MET A 37 -6.449 -0.375 -12.515 1.00 0.00 C ATOM 0 H MET A 37 -7.181 -1.584 -7.369 1.00 0.00 H new ATOM 0 HA MET A 37 -9.249 0.063 -8.174 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.173 -2.601 -9.186 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.442 -1.748 -10.042 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.426 0.201 -9.461 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.578 -1.221 -10.037 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.515 0.143 -13.472 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.708 0.119 -11.886 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.151 -1.410 -12.683 1.00 0.00 H new ATOM 605 N LYS A 38 -10.311 -2.956 -7.353 1.00 0.00 N ATOM 606 CA LYS A 38 -11.484 -3.711 -6.945 1.00 0.00 C ATOM 607 C LYS A 38 -11.905 -3.272 -5.541 1.00 0.00 C ATOM 608 O LYS A 38 -13.070 -2.953 -5.309 1.00 0.00 O ATOM 609 CB LYS A 38 -11.224 -5.213 -7.068 1.00 0.00 C ATOM 610 CG LYS A 38 -10.313 -5.516 -8.259 1.00 0.00 C ATOM 611 CD LYS A 38 -8.870 -5.741 -7.804 1.00 0.00 C ATOM 612 CE LYS A 38 -8.346 -7.095 -8.289 1.00 0.00 C ATOM 613 NZ LYS A 38 -8.211 -7.100 -9.763 1.00 0.00 N ATOM 0 H LYS A 38 -9.449 -3.499 -7.398 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.322 -3.501 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.765 -5.582 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.170 -5.741 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.675 -6.401 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.349 -4.689 -8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.235 -4.943 -8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.817 -5.695 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.380 -7.304 -7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.026 -7.888 -7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.823 -8.014 -10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.145 -6.955 -10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.571 -6.334 -10.056 1.00 0.00 H new ATOM 626 N LEU A 39 -10.933 -3.270 -4.640 1.00 0.00 N ATOM 627 CA LEU A 39 -11.188 -2.876 -3.266 1.00 0.00 C ATOM 628 C LEU A 39 -11.903 -1.523 -3.252 1.00 0.00 C ATOM 629 O LEU A 39 -12.748 -1.272 -2.394 1.00 0.00 O ATOM 630 CB LEU A 39 -9.891 -2.895 -2.454 1.00 0.00 C ATOM 631 CG LEU A 39 -9.427 -4.267 -1.964 1.00 0.00 C ATOM 632 CD1 LEU A 39 -7.926 -4.265 -1.666 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.249 -4.727 -0.758 1.00 0.00 C ATOM 0 H LEU A 39 -9.968 -3.535 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.851 -3.592 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.098 -2.462 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.018 -2.246 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.596 -4.989 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.623 -5.253 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.375 -4.014 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.709 -3.527 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.898 -5.705 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.135 -4.010 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.300 -4.794 -1.038 1.00 0.00 H new ATOM 645 N VAL A 40 -11.537 -0.686 -4.212 1.00 0.00 N ATOM 646 CA VAL A 40 -12.133 0.635 -4.320 1.00 0.00 C ATOM 647 C VAL A 40 -13.643 0.493 -4.513 1.00 0.00 C ATOM 648 O VAL A 40 -14.422 1.223 -3.900 1.00 0.00 O ATOM 649 CB VAL A 40 -11.457 1.422 -5.445 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.403 2.480 -6.018 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.152 2.058 -4.962 1.00 0.00 C ATOM 0 H VAL A 40 -10.835 -0.897 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.975 1.203 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.213 0.722 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.899 3.025 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.293 1.994 -6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.692 3.175 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.692 2.611 -5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.362 2.739 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.470 1.278 -4.623 1.00 0.00 H new ATOM 661 N ALA A 41 -14.013 -0.449 -5.367 1.00 0.00 N ATOM 662 CA ALA A 41 -15.418 -0.695 -5.648 1.00 0.00 C ATOM 663 C ALA A 41 -16.055 -1.412 -4.456 1.00 0.00 C ATOM 664 O ALA A 41 -17.219 -1.177 -4.135 1.00 0.00 O ATOM 665 CB ALA A 41 -15.546 -1.496 -6.946 1.00 0.00 C ATOM 0 H ALA A 41 -13.365 -1.052 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.951 0.245 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.599 -1.681 -7.157 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.105 -0.931 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.025 -2.447 -6.839 1.00 0.00 H new ATOM 671 N VAL A 42 -15.263 -2.272 -3.832 1.00 0.00 N ATOM 672 CA VAL A 42 -15.735 -3.025 -2.683 1.00 0.00 C ATOM 673 C VAL A 42 -15.974 -2.066 -1.514 1.00 0.00 C ATOM 674 O VAL A 42 -17.053 -2.059 -0.924 1.00 0.00 O ATOM 675 CB VAL A 42 -14.744 -4.141 -2.346 1.00 0.00 C ATOM 676 CG1 VAL A 42 -15.313 -5.076 -1.277 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.349 -4.921 -3.601 1.00 0.00 C ATOM 0 H VAL A 42 -14.298 -2.464 -4.101 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.686 -3.509 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.844 -3.678 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.589 -5.860 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.521 -4.508 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.236 -5.527 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.644 -5.708 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.238 -5.366 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.883 -4.245 -4.318 1.00 0.00 H new ATOM 687 N LEU A 43 -14.951 -1.280 -1.216 1.00 0.00 N ATOM 688 CA LEU A 43 -15.037 -0.320 -0.129 1.00 0.00 C ATOM 689 C LEU A 43 -15.915 0.856 -0.561 1.00 0.00 C ATOM 690 O LEU A 43 -16.618 1.445 0.259 1.00 0.00 O ATOM 691 CB LEU A 43 -13.638 0.095 0.331 1.00 0.00 C ATOM 692 CG LEU A 43 -12.717 -1.039 0.786 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.437 -0.488 1.416 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.451 -1.999 1.725 1.00 0.00 C ATOM 0 H LEU A 43 -14.058 -1.288 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.513 -0.772 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.151 0.626 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.743 0.803 1.153 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.422 -1.612 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.801 -1.315 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.905 0.121 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.692 0.123 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.774 -2.795 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.796 -1.455 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.307 -2.431 1.207 1.00 0.00 H new ATOM 706 N ASN A 44 -15.848 1.162 -1.849 1.00 0.00 N ATOM 707 CA ASN A 44 -16.630 2.256 -2.400 1.00 0.00 C ATOM 708 C ASN A 44 -16.290 3.546 -1.652 1.00 0.00 C ATOM 709 O ASN A 44 -17.150 4.132 -0.996 1.00 0.00 O ATOM 710 CB ASN A 44 -18.129 1.997 -2.241 1.00 0.00 C ATOM 711 CG ASN A 44 -18.926 2.698 -3.342 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.380 3.309 -4.246 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.244 2.574 -3.218 1.00 0.00 N ATOM 0 H ASN A 44 -15.264 0.671 -2.526 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.391 2.342 -3.460 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.322 0.925 -2.274 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.461 2.351 -1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.864 3.004 -3.904 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.636 2.048 -2.436 1.00 0.00 H new ATOM 720 N ALA A 45 -15.034 3.950 -1.774 1.00 0.00 N ATOM 721 CA ALA A 45 -14.570 5.161 -1.118 1.00 0.00 C ATOM 722 C ALA A 45 -13.603 5.900 -2.044 1.00 0.00 C ATOM 723 O ALA A 45 -13.398 5.492 -3.187 1.00 0.00 O ATOM 724 CB ALA A 45 -13.931 4.801 0.225 1.00 0.00 C ATOM 0 H ALA A 45 -14.323 3.460 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.406 5.830 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.583 5.709 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.668 4.305 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.087 4.132 0.059 1.00 0.00 H new ATOM 730 N ASN A 46 -13.034 6.975 -1.517 1.00 0.00 N ATOM 731 CA ASN A 46 -12.093 7.774 -2.283 1.00 0.00 C ATOM 732 C ASN A 46 -10.887 6.912 -2.662 1.00 0.00 C ATOM 733 O ASN A 46 -10.022 6.649 -1.830 1.00 0.00 O ATOM 734 CB ASN A 46 -11.585 8.963 -1.464 1.00 0.00 C ATOM 735 CG ASN A 46 -11.125 10.102 -2.376 1.00 0.00 C ATOM 736 OD1 ASN A 46 -11.051 9.970 -3.586 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.822 11.223 -1.729 1.00 0.00 N ATOM 0 H ASN A 46 -13.207 7.311 -0.569 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.608 8.141 -3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.376 9.318 -0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.758 8.645 -0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.505 12.042 -2.248 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.907 11.264 -0.713 1.00 0.00 H new ATOM 744 N LYS A 47 -10.871 6.497 -3.921 1.00 0.00 N ATOM 745 CA LYS A 47 -9.785 5.669 -4.421 1.00 0.00 C ATOM 746 C LYS A 47 -8.482 6.471 -4.390 1.00 0.00 C ATOM 747 O LYS A 47 -7.397 5.897 -4.311 1.00 0.00 O ATOM 748 CB LYS A 47 -10.131 5.111 -5.803 1.00 0.00 C ATOM 749 CG LYS A 47 -10.323 6.238 -6.818 1.00 0.00 C ATOM 750 CD LYS A 47 -9.007 6.569 -7.526 1.00 0.00 C ATOM 751 CE LYS A 47 -8.717 5.562 -8.641 1.00 0.00 C ATOM 752 NZ LYS A 47 -7.722 6.113 -9.589 1.00 0.00 N ATOM 0 H LYS A 47 -11.591 6.718 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.640 4.801 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.336 4.446 -6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.041 4.514 -5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.072 5.946 -7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.702 7.127 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.057 7.575 -7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.190 6.564 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.344 4.632 -8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.639 5.321 -9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.536 5.418 -10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.093 6.988 -10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.838 6.321 -9.082 1.00 0.00 H new ATOM 765 N GLN A 48 -8.633 7.786 -4.455 1.00 0.00 N ATOM 766 CA GLN A 48 -7.482 8.673 -4.435 1.00 0.00 C ATOM 767 C GLN A 48 -6.673 8.464 -3.154 1.00 0.00 C ATOM 768 O GLN A 48 -5.526 8.021 -3.205 1.00 0.00 O ATOM 769 CB GLN A 48 -7.913 10.134 -4.580 1.00 0.00 C ATOM 770 CG GLN A 48 -8.606 10.371 -5.923 1.00 0.00 C ATOM 771 CD GLN A 48 -9.379 11.690 -5.915 1.00 0.00 C ATOM 772 OE1 GLN A 48 -9.185 12.549 -5.071 1.00 0.00 O ATOM 773 NE2 GLN A 48 -10.267 11.803 -6.899 1.00 0.00 N ATOM 0 H GLN A 48 -9.535 8.258 -4.522 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.846 8.430 -5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.588 10.400 -3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.042 10.784 -4.497 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.864 10.385 -6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.287 9.547 -6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.380 11.046 -7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.835 12.647 -6.979 1.00 0.00 H new ATOM 782 N VAL A 49 -7.300 8.793 -2.034 1.00 0.00 N ATOM 783 CA VAL A 49 -6.653 8.647 -0.743 1.00 0.00 C ATOM 784 C VAL A 49 -6.980 7.268 -0.165 1.00 0.00 C ATOM 785 O VAL A 49 -7.445 7.160 0.968 1.00 0.00 O ATOM 786 CB VAL A 49 -7.064 9.795 0.182 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.719 11.150 -0.440 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.553 9.713 0.528 1.00 0.00 C ATOM 0 H VAL A 49 -8.251 9.161 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.570 8.706 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.499 9.698 1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.021 11.949 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.644 11.208 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.245 11.260 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.820 10.540 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.143 9.773 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.758 8.768 1.031 1.00 0.00 H new ATOM 798 N LEU A 50 -6.724 6.248 -0.972 1.00 0.00 N ATOM 799 CA LEU A 50 -6.986 4.881 -0.555 1.00 0.00 C ATOM 800 C LEU A 50 -5.775 4.009 -0.894 1.00 0.00 C ATOM 801 O LEU A 50 -5.220 4.109 -1.987 1.00 0.00 O ATOM 802 CB LEU A 50 -8.295 4.377 -1.165 1.00 0.00 C ATOM 803 CG LEU A 50 -8.480 2.859 -1.197 1.00 0.00 C ATOM 804 CD1 LEU A 50 -9.928 2.475 -0.890 1.00 0.00 C ATOM 805 CD2 LEU A 50 -8.003 2.277 -2.530 1.00 0.00 C ATOM 0 H LEU A 50 -6.338 6.341 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.124 4.832 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.124 4.812 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.366 4.753 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.859 2.423 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.031 1.390 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.198 2.838 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.588 2.922 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.145 1.196 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.578 2.716 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.946 2.503 -2.668 1.00 0.00 H new ATOM 817 N VAL A 51 -5.402 3.174 0.064 1.00 0.00 N ATOM 818 CA VAL A 51 -4.267 2.285 -0.119 1.00 0.00 C ATOM 819 C VAL A 51 -4.446 1.047 0.763 1.00 0.00 C ATOM 820 O VAL A 51 -5.402 0.963 1.534 1.00 0.00 O ATOM 821 CB VAL A 51 -2.963 3.036 0.163 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.825 2.506 -0.713 1.00 0.00 C ATOM 823 CG2 VAL A 51 -3.146 4.543 -0.026 1.00 0.00 C ATOM 0 H VAL A 51 -5.865 3.094 0.969 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.213 1.943 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.693 2.860 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.910 3.056 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.670 1.447 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.083 2.637 -1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.205 5.053 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.451 4.747 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.913 4.905 0.659 1.00 0.00 H new ATOM 833 N VAL A 52 -3.513 0.118 0.621 1.00 0.00 N ATOM 834 CA VAL A 52 -3.557 -1.111 1.394 1.00 0.00 C ATOM 835 C VAL A 52 -2.494 -1.055 2.493 1.00 0.00 C ATOM 836 O VAL A 52 -1.428 -0.471 2.302 1.00 0.00 O ATOM 837 CB VAL A 52 -3.396 -2.318 0.469 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.096 -3.067 0.764 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.604 -3.253 0.573 1.00 0.00 C ATOM 0 H VAL A 52 -2.722 0.192 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.525 -1.220 1.882 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.344 -1.950 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.007 -3.920 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.249 -2.398 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.104 -3.417 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.465 -4.103 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.701 -3.609 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.507 -2.713 0.289 1.00 0.00 H new ATOM 849 N ASP A 53 -2.820 -1.671 3.620 1.00 0.00 N ATOM 850 CA ASP A 53 -1.905 -1.699 4.749 1.00 0.00 C ATOM 851 C ASP A 53 -0.874 -2.809 4.538 1.00 0.00 C ATOM 852 O ASP A 53 0.329 -2.551 4.537 1.00 0.00 O ATOM 853 CB ASP A 53 -2.650 -1.988 6.053 1.00 0.00 C ATOM 854 CG ASP A 53 -2.665 -0.836 7.060 1.00 0.00 C ATOM 855 OD1 ASP A 53 -2.332 0.310 6.723 1.00 0.00 O ATOM 856 OD2 ASP A 53 -3.042 -1.156 8.251 1.00 0.00 O ATOM 0 H ASP A 53 -3.705 -2.154 3.776 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.423 -0.724 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.679 -2.255 5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.197 -2.859 6.527 1.00 0.00 H new ATOM 862 N THR A 54 -1.382 -4.020 4.363 1.00 0.00 N ATOM 863 CA THR A 54 -0.519 -5.170 4.152 1.00 0.00 C ATOM 864 C THR A 54 -1.349 -6.392 3.754 1.00 0.00 C ATOM 865 O THR A 54 -2.559 -6.425 3.974 1.00 0.00 O ATOM 866 CB THR A 54 0.305 -5.383 5.423 1.00 0.00 C ATOM 867 OG1 THR A 54 1.477 -4.600 5.211 1.00 0.00 O ATOM 868 CG2 THR A 54 0.830 -6.815 5.546 1.00 0.00 C ATOM 0 H THR A 54 -2.380 -4.230 4.363 1.00 0.00 H new ATOM 0 HA THR A 54 0.171 -5.001 3.325 1.00 0.00 H new ATOM 0 HB THR A 54 -0.303 -5.143 6.295 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.273 -3.865 4.595 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.408 -6.913 6.465 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.010 -7.510 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.466 -7.044 4.691 1.00 0.00 H new ATOM 876 N LEU A 55 -0.665 -7.368 3.175 1.00 0.00 N ATOM 877 CA LEU A 55 -1.324 -8.590 2.743 1.00 0.00 C ATOM 878 C LEU A 55 -0.444 -9.790 3.097 1.00 0.00 C ATOM 879 O LEU A 55 0.694 -9.623 3.532 1.00 0.00 O ATOM 880 CB LEU A 55 -1.686 -8.508 1.259 1.00 0.00 C ATOM 881 CG LEU A 55 -2.855 -9.385 0.804 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.000 -8.530 0.258 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.392 -10.437 -0.204 1.00 0.00 C ATOM 0 H LEU A 55 0.339 -7.338 2.995 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.269 -8.721 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.921 -7.471 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.806 -8.778 0.675 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.239 -9.921 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.818 -9.177 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.353 -7.854 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.646 -7.949 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.242 -11.046 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.967 -9.942 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.636 -11.074 0.256 1.00 0.00 H new ATOM 895 N ASP A 56 -1.005 -10.974 2.896 1.00 0.00 N ATOM 896 CA ASP A 56 -0.285 -12.202 3.189 1.00 0.00 C ATOM 897 C ASP A 56 -0.964 -13.369 2.470 1.00 0.00 C ATOM 898 O ASP A 56 -2.157 -13.608 2.654 1.00 0.00 O ATOM 899 CB ASP A 56 -0.294 -12.503 4.689 1.00 0.00 C ATOM 900 CG ASP A 56 1.066 -12.388 5.380 1.00 0.00 C ATOM 901 OD1 ASP A 56 1.616 -11.286 5.529 1.00 0.00 O ATOM 902 OD2 ASP A 56 1.571 -13.506 5.777 1.00 0.00 O ATOM 0 H ASP A 56 -1.949 -11.109 2.534 1.00 0.00 H new ATOM 0 HA ASP A 56 0.744 -12.077 2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.991 -11.822 5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.677 -13.512 4.839 1.00 0.00 H new ATOM 908 N GLN A 57 -0.176 -14.066 1.664 1.00 0.00 N ATOM 909 CA GLN A 57 -0.686 -15.202 0.916 1.00 0.00 C ATOM 910 C GLN A 57 -0.950 -16.381 1.855 1.00 0.00 C ATOM 911 O GLN A 57 -0.220 -16.582 2.825 1.00 0.00 O ATOM 912 CB GLN A 57 0.279 -15.599 -0.203 1.00 0.00 C ATOM 913 CG GLN A 57 -0.397 -16.543 -1.200 1.00 0.00 C ATOM 914 CD GLN A 57 0.590 -17.592 -1.718 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.797 -17.432 -1.651 1.00 0.00 O ATOM 916 NE2 GLN A 57 0.010 -18.671 -2.236 1.00 0.00 N ATOM 0 H GLN A 57 0.813 -13.865 1.513 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.629 -14.913 0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.628 -14.706 -0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.157 -16.083 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.242 -17.038 -0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.796 -15.969 -2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.007 -18.741 -2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.583 -19.429 -2.608 1.00 0.00 H new ATOM 925 N ILE A 58 -1.995 -17.130 1.534 1.00 0.00 N ATOM 926 CA ILE A 58 -2.364 -18.283 2.337 1.00 0.00 C ATOM 927 C ILE A 58 -1.707 -19.535 1.756 1.00 0.00 C ATOM 928 O ILE A 58 -1.777 -19.775 0.551 1.00 0.00 O ATOM 929 CB ILE A 58 -3.886 -18.386 2.459 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.493 -17.052 2.899 1.00 0.00 C ATOM 931 CG2 ILE A 58 -4.285 -19.531 3.390 1.00 0.00 C ATOM 932 CD1 ILE A 58 -3.759 -16.491 4.119 1.00 0.00 C ATOM 0 H ILE A 58 -2.598 -16.961 0.729 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.993 -18.172 3.356 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.292 -18.615 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.441 -16.337 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.548 -17.189 3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.372 -19.582 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.902 -20.472 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.866 -19.357 4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.210 -15.543 4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.833 -17.198 4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.710 -16.332 3.871 1.00 0.00 H new ATOM 944 N PHE A 59 -1.084 -20.303 2.638 1.00 0.00 N ATOM 945 CA PHE A 59 -0.415 -21.525 2.226 1.00 0.00 C ATOM 946 C PHE A 59 -1.428 -22.640 1.955 1.00 0.00 C ATOM 947 O PHE A 59 -1.366 -23.299 0.919 1.00 0.00 O ATOM 948 CB PHE A 59 0.493 -21.949 3.383 1.00 0.00 C ATOM 949 CG PHE A 59 1.071 -23.358 3.237 1.00 0.00 C ATOM 950 CD1 PHE A 59 0.402 -24.425 3.748 1.00 0.00 C ATOM 951 CD2 PHE A 59 2.255 -23.543 2.594 1.00 0.00 C ATOM 952 CE1 PHE A 59 0.938 -25.732 3.611 1.00 0.00 C ATOM 953 CE2 PHE A 59 2.793 -24.850 2.457 1.00 0.00 C ATOM 954 CZ PHE A 59 2.122 -25.918 2.969 1.00 0.00 C ATOM 0 H PHE A 59 -1.029 -20.102 3.637 1.00 0.00 H new ATOM 0 HA PHE A 59 0.148 -21.350 1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.314 -21.237 3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.072 -21.894 4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.538 -24.278 4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.786 -22.695 2.187 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.405 -26.579 4.017 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.734 -24.997 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.530 -26.913 2.865 1.00 0.00 H new ATOM 964 N GLY A 60 -2.336 -22.814 2.903 1.00 0.00 N ATOM 965 CA GLY A 60 -3.361 -23.837 2.779 1.00 0.00 C ATOM 966 C GLY A 60 -3.840 -23.960 1.331 1.00 0.00 C ATOM 967 O GLY A 60 -3.730 -25.024 0.725 1.00 0.00 O ATOM 0 H GLY A 60 -2.384 -22.264 3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.967 -24.795 3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.204 -23.593 3.425 1.00 0.00 H new ATOM 971 N LYS A 61 -4.363 -22.855 0.819 1.00 0.00 N ATOM 972 CA LYS A 61 -4.860 -22.825 -0.545 1.00 0.00 C ATOM 973 C LYS A 61 -4.240 -21.637 -1.284 1.00 0.00 C ATOM 974 O LYS A 61 -3.157 -21.176 -0.926 1.00 0.00 O ATOM 975 CB LYS A 61 -6.390 -22.827 -0.560 1.00 0.00 C ATOM 976 CG LYS A 61 -6.944 -21.479 -0.097 1.00 0.00 C ATOM 977 CD LYS A 61 -8.435 -21.359 -0.421 1.00 0.00 C ATOM 978 CE LYS A 61 -9.291 -21.731 0.790 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.550 -20.953 0.795 1.00 0.00 N ATOM 0 H LYS A 61 -4.453 -21.974 1.325 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.558 -23.726 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.747 -23.045 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.763 -23.620 0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.791 -21.368 0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.397 -20.671 -0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.662 -20.339 -0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.682 -22.010 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.516 -22.797 0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.735 -21.540 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.926 -20.908 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.364 -19.989 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.246 -21.414 0.174 1.00 0.00 H new ATOM 992 N LEU A 62 -4.954 -21.175 -2.299 1.00 0.00 N ATOM 993 CA LEU A 62 -4.488 -20.048 -3.090 1.00 0.00 C ATOM 994 C LEU A 62 -5.173 -18.770 -2.603 1.00 0.00 C ATOM 995 O LEU A 62 -5.586 -17.937 -3.409 1.00 0.00 O ATOM 996 CB LEU A 62 -4.687 -20.322 -4.582 1.00 0.00 C ATOM 997 CG LEU A 62 -3.974 -21.557 -5.138 1.00 0.00 C ATOM 998 CD1 LEU A 62 -4.876 -22.322 -6.107 1.00 0.00 C ATOM 999 CD2 LEU A 62 -2.638 -21.175 -5.779 1.00 0.00 C ATOM 0 H LEU A 62 -5.852 -21.560 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.416 -19.906 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.755 -20.427 -4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.348 -19.449 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.754 -22.227 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.345 -23.195 -6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.778 -22.645 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.149 -21.673 -6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.151 -22.070 -6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.813 -20.475 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.997 -20.708 -5.032 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.275 -18.655 -1.287 1.00 0.00 N ATOM 1012 CA GLU A 63 -5.903 -17.492 -0.684 1.00 0.00 C ATOM 1013 C GLU A 63 -4.842 -16.471 -0.268 1.00 0.00 C ATOM 1014 O GLU A 63 -3.648 -16.766 -0.295 1.00 0.00 O ATOM 1015 CB GLU A 63 -6.773 -17.897 0.508 1.00 0.00 C ATOM 1016 CG GLU A 63 -7.933 -16.917 0.697 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.279 -17.641 0.630 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -9.607 -18.245 -0.402 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -9.995 -17.562 1.700 1.00 0.00 O ATOM 0 H GLU A 63 -4.933 -19.348 -0.621 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.553 -17.028 -1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.163 -18.903 0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.166 -17.927 1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.835 -16.413 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.892 -16.146 -0.073 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.316 -15.293 0.109 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.423 -14.227 0.530 1.00 0.00 C ATOM 1029 C ALA A 64 -5.198 -13.230 1.394 1.00 0.00 C ATOM 1030 O ALA A 64 -6.134 -12.587 0.918 1.00 0.00 O ATOM 1031 CB ALA A 64 -3.797 -13.568 -0.701 1.00 0.00 C ATOM 0 H ALA A 64 -6.307 -15.053 0.132 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.609 -14.626 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.127 -12.768 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.234 -14.312 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.584 -13.154 -1.332 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.781 -13.131 2.647 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.423 -12.223 3.581 1.00 0.00 C ATOM 1039 C GLU A 65 -4.579 -10.960 3.760 1.00 0.00 C ATOM 1040 O GLU A 65 -3.351 -11.029 3.785 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.677 -12.908 4.925 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.688 -12.121 5.760 1.00 0.00 C ATOM 1043 CD GLU A 65 -6.369 -12.228 7.253 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -5.654 -11.373 7.797 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -6.893 -13.244 7.850 1.00 0.00 O ATOM 0 H GLU A 65 -4.005 -13.666 3.038 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.390 -11.934 3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.048 -13.919 4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.740 -12.999 5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.679 -11.074 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.693 -12.499 5.571 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.271 -9.836 3.880 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.600 -8.560 4.055 1.00 0.00 C ATOM 1055 C GLY A 66 -5.534 -7.534 4.701 1.00 0.00 C ATOM 1056 O GLY A 66 -6.724 -7.793 4.871 1.00 0.00 O ATOM 0 H GLY A 66 -6.289 -9.783 3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.714 -8.693 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.259 -8.189 3.089 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.958 -6.390 5.044 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.724 -5.324 5.666 1.00 0.00 C ATOM 1062 C TYR A 67 -5.721 -4.067 4.796 1.00 0.00 C ATOM 1063 O TYR A 67 -4.666 -3.610 4.361 1.00 0.00 O ATOM 1064 CB TYR A 67 -5.018 -5.016 6.989 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.968 -4.631 8.125 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -6.135 -5.476 9.202 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -6.656 -3.435 8.073 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -7.029 -5.113 10.272 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -7.550 -3.072 9.142 1.00 0.00 C ATOM 1070 CZ TYR A 67 -7.692 -3.929 10.189 1.00 0.00 C ATOM 1071 OH TYR A 67 -8.536 -3.586 11.199 1.00 0.00 O ATOM 0 H TYR A 67 -3.970 -6.179 4.903 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.762 -5.627 5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.440 -5.889 7.292 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.309 -4.203 6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.595 -6.411 9.243 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.524 -2.772 7.231 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.169 -5.766 11.120 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.096 -2.140 9.113 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.217 -3.977 12.039 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.917 -3.542 4.567 1.00 0.00 N ATOM 1082 CA ALA A 68 -7.066 -2.345 3.757 1.00 0.00 C ATOM 1083 C ALA A 68 -7.334 -1.147 4.668 1.00 0.00 C ATOM 1084 O ALA A 68 -8.227 -1.192 5.513 1.00 0.00 O ATOM 1085 CB ALA A 68 -8.182 -2.559 2.731 1.00 0.00 C ATOM 0 H ALA A 68 -7.791 -3.924 4.928 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.149 -2.139 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.294 -1.661 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.929 -3.403 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.118 -2.765 3.250 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.544 -0.102 4.467 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.685 1.107 5.260 1.00 0.00 C ATOM 1093 C LYS A 69 -7.075 2.270 4.345 1.00 0.00 C ATOM 1094 O LYS A 69 -6.715 2.287 3.169 1.00 0.00 O ATOM 1095 CB LYS A 69 -5.416 1.364 6.074 1.00 0.00 C ATOM 1096 CG LYS A 69 -5.502 2.700 6.817 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.880 3.827 5.990 1.00 0.00 C ATOM 1098 CE LYS A 69 -3.369 3.906 6.221 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.980 5.268 6.652 1.00 0.00 N ATOM 0 H LYS A 69 -5.804 -0.068 3.766 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.487 0.993 5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.268 0.555 6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.550 1.367 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.545 2.934 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.989 2.621 7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.082 3.661 4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.343 4.777 6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.073 3.180 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.841 3.644 5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.305 5.203 7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.536 5.770 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.825 5.789 6.962 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.806 3.214 4.920 1.00 0.00 N ATOM 1113 CA ILE A 70 -8.247 4.378 4.171 1.00 0.00 C ATOM 1114 C ILE A 70 -7.771 5.648 4.880 1.00 0.00 C ATOM 1115 O ILE A 70 -7.863 5.752 6.102 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.761 4.329 3.950 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -10.132 3.251 2.930 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -10.301 5.705 3.552 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -11.629 2.940 2.981 1.00 0.00 C ATOM 0 H ILE A 70 -8.104 3.196 5.895 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.801 4.382 3.177 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.235 4.056 4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.860 3.584 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.561 2.344 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.379 5.643 3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.086 6.423 4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.823 6.030 2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.866 2.171 2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.893 2.584 3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -12.196 3.843 2.756 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.270 6.579 4.082 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.778 7.837 4.618 1.00 0.00 C ATOM 1133 C TYR A 71 -7.851 8.925 4.534 1.00 0.00 C ATOM 1134 O TYR A 71 -8.918 8.708 3.964 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.594 8.237 3.735 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.454 7.217 3.725 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -4.577 6.052 2.995 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -3.302 7.461 4.445 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -3.504 5.092 2.985 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -2.230 6.502 4.435 1.00 0.00 C ATOM 1141 CZ TYR A 71 -2.383 5.364 3.706 1.00 0.00 C ATOM 1142 OH TYR A 71 -1.369 4.457 3.696 1.00 0.00 O ATOM 0 H TYR A 71 -7.194 6.488 3.069 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.500 7.725 5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.948 8.382 2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.206 9.197 4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.478 5.861 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.205 8.372 5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.587 4.177 2.418 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.324 6.682 4.994 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.756 4.660 2.959 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.529 10.073 5.113 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.451 11.196 5.112 1.00 0.00 C ATOM 1154 C ASN A 72 -7.775 12.406 4.465 1.00 0.00 C ATOM 1155 O ASN A 72 -8.383 13.103 3.654 1.00 0.00 O ATOM 1156 CB ASN A 72 -8.850 11.583 6.537 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.318 11.245 6.807 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.224 11.737 6.156 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.499 10.382 7.802 1.00 0.00 N ATOM 0 H ASN A 72 -6.643 10.249 5.586 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.341 10.900 4.556 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.215 11.059 7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.685 12.650 6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.442 10.093 8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.695 10.009 8.306 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.524 12.620 4.848 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.758 13.733 4.315 1.00 0.00 C ATOM 1168 C ASP A 73 -4.267 13.394 4.371 1.00 0.00 C ATOM 1169 O ASP A 73 -3.744 13.048 5.430 1.00 0.00 O ATOM 1170 CB ASP A 73 -5.985 15.002 5.140 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.532 14.769 6.549 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -6.207 13.766 7.202 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -7.337 15.680 6.980 1.00 0.00 O ATOM 0 H ASP A 73 -6.022 12.041 5.521 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.083 13.906 3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.040 15.540 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.677 15.649 4.601 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.624 13.504 3.218 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.204 13.214 3.123 1.00 0.00 C ATOM 1181 C GLU A 74 -1.408 14.143 4.042 1.00 0.00 C ATOM 1182 O GLU A 74 -0.266 13.850 4.389 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.717 13.325 1.676 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.591 12.490 0.738 1.00 0.00 C ATOM 1185 CD GLU A 74 -3.057 13.319 -0.460 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -3.004 14.557 -0.416 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -3.485 12.632 -1.465 1.00 0.00 O ATOM 0 H GLU A 74 -4.061 13.790 2.342 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.041 12.187 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.734 14.369 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.682 12.989 1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.030 11.623 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.457 12.112 1.282 1.00 0.00 H new ATOM 1195 N LYS A 75 -2.044 15.246 4.408 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.411 16.221 5.280 1.00 0.00 C ATOM 1197 C LYS A 75 -0.993 15.537 6.584 1.00 0.00 C ATOM 1198 O LYS A 75 0.149 15.673 7.021 1.00 0.00 O ATOM 1199 CB LYS A 75 -2.325 17.430 5.485 1.00 0.00 C ATOM 1200 CG LYS A 75 -2.274 18.367 4.277 1.00 0.00 C ATOM 1201 CD LYS A 75 -1.427 19.605 4.578 1.00 0.00 C ATOM 1202 CE LYS A 75 0.049 19.234 4.736 1.00 0.00 C ATOM 1203 NZ LYS A 75 0.914 20.333 4.252 1.00 0.00 N ATOM 0 H LYS A 75 -2.991 15.486 4.117 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.504 16.612 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.349 17.093 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.023 17.971 6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.859 17.838 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.285 18.671 4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.539 20.331 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.785 20.082 5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.268 19.025 5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.263 18.322 4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.912 20.065 4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.717 20.513 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.722 21.194 4.802 1.00 0.00 H new ATOM 1216 N ALA A 76 -1.941 14.818 7.167 1.00 0.00 N ATOM 1217 CA ALA A 76 -1.685 14.112 8.412 1.00 0.00 C ATOM 1218 C ALA A 76 -0.786 12.906 8.134 1.00 0.00 C ATOM 1219 O ALA A 76 0.254 12.742 8.771 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.015 13.714 9.055 1.00 0.00 C ATOM 0 H ALA A 76 -2.887 14.709 6.801 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.161 14.756 9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.824 13.185 9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.603 14.609 9.259 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.567 13.064 8.376 1.00 0.00 H new ATOM 1226 N MET A 77 -1.220 12.092 7.183 1.00 0.00 N ATOM 1227 CA MET A 77 -0.469 10.905 6.814 1.00 0.00 C ATOM 1228 C MET A 77 1.002 11.245 6.556 1.00 0.00 C ATOM 1229 O MET A 77 1.896 10.539 7.018 1.00 0.00 O ATOM 1230 CB MET A 77 -1.078 10.285 5.555 1.00 0.00 C ATOM 1231 CG MET A 77 0.008 9.695 4.653 1.00 0.00 C ATOM 1232 SD MET A 77 -0.740 8.779 3.316 1.00 0.00 S ATOM 1233 CE MET A 77 -0.373 9.868 1.951 1.00 0.00 C ATOM 0 H MET A 77 -2.083 12.232 6.657 1.00 0.00 H new ATOM 0 HA MET A 77 -0.520 10.195 7.640 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.786 9.505 5.835 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.639 11.042 5.007 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.633 10.493 4.253 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.659 9.041 5.233 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.081 9.689 1.142 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.453 10.904 2.280 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.640 9.677 1.595 1.00 0.00 H new ATOM 1243 N ALA A 78 1.204 12.326 5.818 1.00 0.00 N ATOM 1244 CA ALA A 78 2.550 12.769 5.493 1.00 0.00 C ATOM 1245 C ALA A 78 3.402 12.771 6.763 1.00 0.00 C ATOM 1246 O ALA A 78 4.594 12.470 6.716 1.00 0.00 O ATOM 1247 CB ALA A 78 2.488 14.146 4.830 1.00 0.00 C ATOM 0 H ALA A 78 0.459 12.908 5.436 1.00 0.00 H new ATOM 0 HA ALA A 78 3.018 12.087 4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.497 14.478 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.896 14.084 3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.027 14.859 5.514 1.00 0.00 H new ATOM 1253 N THR A 79 2.758 13.113 7.869 1.00 0.00 N ATOM 1254 CA THR A 79 3.442 13.158 9.150 1.00 0.00 C ATOM 1255 C THR A 79 3.152 11.889 9.955 1.00 0.00 C ATOM 1256 O THR A 79 4.054 11.095 10.215 1.00 0.00 O ATOM 1257 CB THR A 79 3.020 14.442 9.867 1.00 0.00 C ATOM 1258 OG1 THR A 79 3.737 15.470 9.188 1.00 0.00 O ATOM 1259 CG2 THR A 79 3.543 14.510 11.303 1.00 0.00 C ATOM 0 H THR A 79 1.769 13.362 7.905 1.00 0.00 H new ATOM 0 HA THR A 79 4.524 13.182 9.020 1.00 0.00 H new ATOM 0 HB THR A 79 1.932 14.513 9.873 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.521 16.338 9.588 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.215 15.441 11.766 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.155 13.665 11.872 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.632 14.473 11.296 1.00 0.00 H new ATOM 1267 N ILE A 80 1.888 11.740 10.327 1.00 0.00 N ATOM 1268 CA ILE A 80 1.468 10.581 11.096 1.00 0.00 C ATOM 1269 C ILE A 80 2.173 9.334 10.559 1.00 0.00 C ATOM 1270 O ILE A 80 3.065 8.792 11.210 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.058 10.469 11.105 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -0.677 11.487 12.066 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -0.501 9.040 11.421 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -2.195 11.316 12.143 1.00 0.00 C ATOM 0 H ILE A 80 1.143 12.402 10.110 1.00 0.00 H new ATOM 0 HA ILE A 80 1.763 10.689 12.140 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.424 10.706 10.106 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.243 11.366 13.059 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.438 12.497 11.735 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.590 8.988 11.421 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.106 8.361 10.666 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.124 8.751 12.402 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.609 12.051 12.833 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.628 11.462 11.153 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.431 10.313 12.498 1.00 0.00 H new ATOM 1286 N GLU A 81 1.745 8.914 9.378 1.00 0.00 N ATOM 1287 CA GLU A 81 2.324 7.740 8.746 1.00 0.00 C ATOM 1288 C GLU A 81 3.831 7.927 8.559 1.00 0.00 C ATOM 1289 O GLU A 81 4.367 8.997 8.845 1.00 0.00 O ATOM 1290 CB GLU A 81 1.638 7.442 7.412 1.00 0.00 C ATOM 1291 CG GLU A 81 0.554 6.375 7.579 1.00 0.00 C ATOM 1292 CD GLU A 81 -0.439 6.769 8.675 1.00 0.00 C ATOM 1293 OE1 GLU A 81 -0.284 6.349 9.831 1.00 0.00 O ATOM 1294 OE2 GLU A 81 -1.397 7.542 8.289 1.00 0.00 O ATOM 0 H GLU A 81 1.004 9.365 8.842 1.00 0.00 H new ATOM 0 HA GLU A 81 2.163 6.882 9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.196 8.356 7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.378 7.104 6.686 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.025 6.238 6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.015 5.419 7.827 1.00 0.00 H new ATOM 1302 N THR A 82 4.470 6.872 8.077 1.00 0.00 N ATOM 1303 CA THR A 82 5.905 6.907 7.848 1.00 0.00 C ATOM 1304 C THR A 82 6.230 6.436 6.428 1.00 0.00 C ATOM 1305 O THR A 82 5.367 5.894 5.738 1.00 0.00 O ATOM 1306 CB THR A 82 6.578 6.066 8.935 1.00 0.00 C ATOM 1307 OG1 THR A 82 5.887 4.822 8.889 1.00 0.00 O ATOM 1308 CG2 THR A 82 6.298 6.597 10.342 1.00 0.00 C ATOM 0 H THR A 82 4.021 5.988 7.839 1.00 0.00 H new ATOM 0 HA THR A 82 6.292 7.924 7.917 1.00 0.00 H new ATOM 0 HB THR A 82 7.654 6.044 8.763 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.261 4.215 9.561 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.798 5.965 11.076 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.672 7.617 10.427 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.224 6.588 10.527 1.00 0.00 H new ATOM 1316 N LYS A 83 7.475 6.661 6.035 1.00 0.00 N ATOM 1317 CA LYS A 83 7.924 6.268 4.710 1.00 0.00 C ATOM 1318 C LYS A 83 7.569 4.799 4.472 1.00 0.00 C ATOM 1319 O LYS A 83 7.450 4.362 3.328 1.00 0.00 O ATOM 1320 CB LYS A 83 9.412 6.579 4.534 1.00 0.00 C ATOM 1321 CG LYS A 83 10.276 5.547 5.261 1.00 0.00 C ATOM 1322 CD LYS A 83 10.662 6.040 6.657 1.00 0.00 C ATOM 1323 CE LYS A 83 12.149 6.396 6.722 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.346 7.669 7.450 1.00 0.00 N ATOM 0 H LYS A 83 8.187 7.110 6.611 1.00 0.00 H new ATOM 0 HA LYS A 83 7.409 6.849 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.663 6.587 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.627 7.576 4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.733 4.605 5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.176 5.347 4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.064 6.914 6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.437 5.269 7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.699 5.597 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.553 6.481 5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.298 7.686 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.243 8.466 6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.635 7.751 8.205 1.00 0.00 H new ATOM 1337 N SER A 84 7.413 4.075 5.572 1.00 0.00 N ATOM 1338 CA SER A 84 7.076 2.663 5.497 1.00 0.00 C ATOM 1339 C SER A 84 5.708 2.488 4.834 1.00 0.00 C ATOM 1340 O SER A 84 5.554 1.666 3.931 1.00 0.00 O ATOM 1341 CB SER A 84 7.079 2.022 6.886 1.00 0.00 C ATOM 1342 OG SER A 84 7.790 0.788 6.902 1.00 0.00 O ATOM 0 H SER A 84 7.514 4.440 6.519 1.00 0.00 H new ATOM 0 HA SER A 84 7.833 2.161 4.894 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.530 2.710 7.602 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.052 1.853 7.210 1.00 0.00 H new ATOM 0 HG SER A 84 7.771 0.411 7.806 1.00 0.00 H new ATOM 1348 N VAL A 85 4.751 3.271 5.307 1.00 0.00 N ATOM 1349 CA VAL A 85 3.402 3.211 4.772 1.00 0.00 C ATOM 1350 C VAL A 85 3.390 3.809 3.364 1.00 0.00 C ATOM 1351 O VAL A 85 2.812 3.230 2.444 1.00 0.00 O ATOM 1352 CB VAL A 85 2.430 3.907 5.725 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.017 3.945 5.137 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.433 3.235 7.099 1.00 0.00 C ATOM 0 H VAL A 85 4.883 3.951 6.056 1.00 0.00 H new ATOM 0 HA VAL A 85 3.070 2.176 4.689 1.00 0.00 H new ATOM 0 HB VAL A 85 2.767 4.935 5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.346 4.445 5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.030 4.490 4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.667 2.927 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.733 3.750 7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.133 2.192 6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.435 3.283 7.526 1.00 0.00 H new ATOM 1364 N LEU A 86 4.034 4.960 3.239 1.00 0.00 N ATOM 1365 CA LEU A 86 4.105 5.643 1.958 1.00 0.00 C ATOM 1366 C LEU A 86 4.932 4.803 0.982 1.00 0.00 C ATOM 1367 O LEU A 86 4.810 4.957 -0.232 1.00 0.00 O ATOM 1368 CB LEU A 86 4.628 7.068 2.139 1.00 0.00 C ATOM 1369 CG LEU A 86 3.601 8.110 2.586 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.363 7.436 3.182 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.225 9.118 3.552 1.00 0.00 C ATOM 0 H LEU A 86 4.511 5.437 4.004 1.00 0.00 H new ATOM 0 HA LEU A 86 3.110 5.746 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.436 7.047 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.062 7.397 1.195 1.00 0.00 H new ATOM 0 HG LEU A 86 3.275 8.667 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.648 8.198 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.904 6.791 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.654 6.839 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.473 9.847 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.597 8.595 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.051 9.631 3.059 1.00 0.00 H new ATOM 1383 N GLU A 87 5.754 3.933 1.550 1.00 0.00 N ATOM 1384 CA GLU A 87 6.600 3.069 0.745 1.00 0.00 C ATOM 1385 C GLU A 87 5.744 2.125 -0.101 1.00 0.00 C ATOM 1386 O GLU A 87 5.902 2.062 -1.319 1.00 0.00 O ATOM 1387 CB GLU A 87 7.577 2.285 1.624 1.00 0.00 C ATOM 1388 CG GLU A 87 8.984 2.882 1.550 1.00 0.00 C ATOM 1389 CD GLU A 87 9.990 1.852 1.032 1.00 0.00 C ATOM 1390 OE1 GLU A 87 10.352 1.880 -0.153 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.398 0.999 1.910 1.00 0.00 O ATOM 0 H GLU A 87 5.852 3.808 2.558 1.00 0.00 H new ATOM 0 HA GLU A 87 7.188 3.694 0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.229 2.293 2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.603 1.243 1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.979 3.753 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.288 3.228 2.538 1.00 0.00 H new ATOM 1399 N LYS A 88 4.855 1.415 0.579 1.00 0.00 N ATOM 1400 CA LYS A 88 3.974 0.476 -0.095 1.00 0.00 C ATOM 1401 C LYS A 88 2.993 1.249 -0.978 1.00 0.00 C ATOM 1402 O LYS A 88 2.590 0.767 -2.035 1.00 0.00 O ATOM 1403 CB LYS A 88 3.294 -0.444 0.921 1.00 0.00 C ATOM 1404 CG LYS A 88 2.283 0.331 1.771 1.00 0.00 C ATOM 1405 CD LYS A 88 2.645 0.256 3.255 1.00 0.00 C ATOM 1406 CE LYS A 88 2.681 -1.194 3.739 1.00 0.00 C ATOM 1407 NZ LYS A 88 2.464 -1.260 5.202 1.00 0.00 N ATOM 0 H LYS A 88 4.726 1.471 1.589 1.00 0.00 H new ATOM 0 HA LYS A 88 4.546 -0.180 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.789 -1.257 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.046 -0.898 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.256 1.373 1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.284 -0.076 1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.616 0.722 3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.918 0.820 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.914 -1.774 3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.642 -1.643 3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.232 -1.805 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.453 -0.297 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.554 -1.724 5.397 1.00 0.00 H new ATOM 1420 N ASN A 89 2.637 2.437 -0.513 1.00 0.00 N ATOM 1421 CA ASN A 89 1.710 3.283 -1.247 1.00 0.00 C ATOM 1422 C ASN A 89 2.397 3.805 -2.511 1.00 0.00 C ATOM 1423 O ASN A 89 3.230 4.708 -2.442 1.00 0.00 O ATOM 1424 CB ASN A 89 1.283 4.489 -0.409 1.00 0.00 C ATOM 1425 CG ASN A 89 0.407 5.441 -1.226 1.00 0.00 C ATOM 1426 OD1 ASN A 89 -0.031 5.136 -2.323 1.00 0.00 O ATOM 1427 ND2 ASN A 89 0.177 6.609 -0.631 1.00 0.00 N ATOM 0 H ASN A 89 2.974 2.835 0.364 1.00 0.00 H new ATOM 0 HA ASN A 89 0.831 2.687 -1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.736 4.150 0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.166 5.018 -0.051 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.397 7.313 -1.095 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.574 6.800 0.289 1.00 0.00 H new ATOM 1434 N LYS A 90 2.020 3.215 -3.636 1.00 0.00 N ATOM 1435 CA LYS A 90 2.589 3.610 -4.914 1.00 0.00 C ATOM 1436 C LYS A 90 2.635 5.137 -4.998 1.00 0.00 C ATOM 1437 O LYS A 90 1.967 5.824 -4.226 1.00 0.00 O ATOM 1438 CB LYS A 90 1.826 2.953 -6.066 1.00 0.00 C ATOM 1439 CG LYS A 90 2.787 2.287 -7.053 1.00 0.00 C ATOM 1440 CD LYS A 90 2.023 1.484 -8.107 1.00 0.00 C ATOM 1441 CE LYS A 90 1.314 2.413 -9.096 1.00 0.00 C ATOM 1442 NZ LYS A 90 1.351 1.841 -10.461 1.00 0.00 N ATOM 0 H LYS A 90 1.328 2.467 -3.689 1.00 0.00 H new ATOM 0 HA LYS A 90 3.616 3.255 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.133 2.210 -5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.228 3.702 -6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.396 3.047 -7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.469 1.630 -6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.713 0.833 -8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.292 0.840 -7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.280 2.563 -8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.793 3.392 -9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.866 2.483 -11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.340 1.720 -10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.873 0.917 -10.463 1.00 0.00 H new ATOM 1455 N ILE A 91 3.426 5.623 -5.942 1.00 0.00 N ATOM 1456 CA ILE A 91 3.566 7.055 -6.137 1.00 0.00 C ATOM 1457 C ILE A 91 2.195 7.721 -6.001 1.00 0.00 C ATOM 1458 O ILE A 91 1.925 8.396 -5.009 1.00 0.00 O ATOM 1459 CB ILE A 91 4.263 7.349 -7.467 1.00 0.00 C ATOM 1460 CG1 ILE A 91 5.606 6.620 -7.556 1.00 0.00 C ATOM 1461 CG2 ILE A 91 4.415 8.856 -7.685 1.00 0.00 C ATOM 1462 CD1 ILE A 91 5.669 5.740 -8.806 1.00 0.00 C ATOM 0 H ILE A 91 3.977 5.050 -6.581 1.00 0.00 H new ATOM 0 HA ILE A 91 4.207 7.483 -5.366 1.00 0.00 H new ATOM 0 HB ILE A 91 3.635 6.968 -8.272 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.418 7.347 -7.577 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.751 6.006 -6.667 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.913 9.037 -8.637 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.430 9.323 -7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 91 5.010 9.282 -6.877 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.633 5.233 -8.846 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.871 4.999 -8.770 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.548 6.360 -9.694 1.00 0.00 H new ATOM 1474 N GLU A 92 1.367 7.508 -7.012 1.00 0.00 N ATOM 1475 CA GLU A 92 0.030 8.078 -7.018 1.00 0.00 C ATOM 1476 C GLU A 92 0.106 9.605 -7.087 1.00 0.00 C ATOM 1477 O GLU A 92 0.137 10.180 -8.175 1.00 0.00 O ATOM 1478 CB GLU A 92 -0.766 7.624 -5.793 1.00 0.00 C ATOM 1479 CG GLU A 92 -2.126 8.322 -5.732 1.00 0.00 C ATOM 1480 CD GLU A 92 -3.105 7.701 -6.730 1.00 0.00 C ATOM 1481 OE1 GLU A 92 -3.260 6.471 -6.764 1.00 0.00 O ATOM 1482 OE2 GLU A 92 -3.718 8.544 -7.489 1.00 0.00 O ATOM 0 H GLU A 92 1.596 6.948 -7.834 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.494 7.718 -7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.909 6.544 -5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.201 7.842 -4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.533 8.247 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.004 9.383 -5.949 1.00 0.00 H new ATOM 1490 N GLU A 93 0.132 10.218 -5.913 1.00 0.00 N ATOM 1491 CA GLU A 93 0.203 11.667 -5.828 1.00 0.00 C ATOM 1492 C GLU A 93 1.662 12.129 -5.838 1.00 0.00 C ATOM 1493 O GLU A 93 2.571 11.319 -6.019 1.00 0.00 O ATOM 1494 CB GLU A 93 -0.524 12.178 -4.582 1.00 0.00 C ATOM 1495 CG GLU A 93 0.113 11.622 -3.308 1.00 0.00 C ATOM 1496 CD GLU A 93 0.133 12.676 -2.199 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.621 13.658 -2.264 1.00 0.00 O ATOM 1498 OE2 GLU A 93 0.970 12.449 -1.244 1.00 0.00 O ATOM 0 H GLU A 93 0.105 9.738 -5.013 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.297 12.088 -6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.495 13.267 -4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.574 11.887 -4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.442 10.746 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.130 11.293 -3.520 1.00 0.00 H new ATOM 1506 N GLU A 94 1.840 13.426 -5.643 1.00 0.00 N ATOM 1507 CA GLU A 94 3.173 14.006 -5.629 1.00 0.00 C ATOM 1508 C GLU A 94 3.737 14.002 -4.207 1.00 0.00 C ATOM 1509 O GLU A 94 3.275 13.245 -3.354 1.00 0.00 O ATOM 1510 CB GLU A 94 3.162 15.420 -6.210 1.00 0.00 C ATOM 1511 CG GLU A 94 2.466 16.399 -5.262 1.00 0.00 C ATOM 1512 CD GLU A 94 2.366 17.791 -5.887 1.00 0.00 C ATOM 1513 OE1 GLU A 94 3.352 18.293 -6.445 1.00 0.00 O ATOM 1514 OE2 GLU A 94 1.211 18.355 -5.779 1.00 0.00 O ATOM 0 H GLU A 94 1.083 14.093 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 94 3.821 13.396 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.185 15.750 -6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.652 15.417 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.468 16.032 -5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.018 16.457 -4.324 1.00 0.00 H new ATOM 1522 N ALA A 95 4.728 14.855 -3.995 1.00 0.00 N ATOM 1523 CA ALA A 95 5.361 14.960 -2.692 1.00 0.00 C ATOM 1524 C ALA A 95 6.678 15.727 -2.829 1.00 0.00 C ATOM 1525 O ALA A 95 7.705 15.146 -3.176 1.00 0.00 O ATOM 1526 CB ALA A 95 5.560 13.560 -2.107 1.00 0.00 C ATOM 0 H ALA A 95 5.109 15.481 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 95 4.727 15.515 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 95 6.035 13.638 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.593 13.069 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.194 12.974 -2.773 1.00 0.00 H new ATOM 1532 N GLU A 96 6.605 17.019 -2.547 1.00 0.00 N ATOM 1533 CA GLU A 96 7.779 17.872 -2.635 1.00 0.00 C ATOM 1534 C GLU A 96 9.013 17.129 -2.119 1.00 0.00 C ATOM 1535 O GLU A 96 9.958 16.892 -2.870 1.00 0.00 O ATOM 1536 CB GLU A 96 7.566 19.179 -1.870 1.00 0.00 C ATOM 1537 CG GLU A 96 6.676 20.139 -2.662 1.00 0.00 C ATOM 1538 CD GLU A 96 6.764 21.559 -2.099 1.00 0.00 C ATOM 1539 OE1 GLU A 96 7.635 22.337 -2.513 1.00 0.00 O ATOM 1540 OE2 GLU A 96 5.884 21.844 -1.199 1.00 0.00 O ATOM 0 H GLU A 96 5.752 17.497 -2.257 1.00 0.00 H new ATOM 0 HA GLU A 96 7.943 18.126 -3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.109 18.968 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.529 19.650 -1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.978 20.140 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.643 19.794 -2.628 1.00 0.00 H new ATOM 1548 N ALA A 97 8.965 16.783 -0.841 1.00 0.00 N ATOM 1549 CA ALA A 97 10.067 16.072 -0.215 1.00 0.00 C ATOM 1550 C ALA A 97 9.510 15.007 0.731 1.00 0.00 C ATOM 1551 O ALA A 97 8.634 15.292 1.545 1.00 0.00 O ATOM 1552 CB ALA A 97 10.978 17.072 0.502 1.00 0.00 C ATOM 0 H ALA A 97 8.180 16.982 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 97 10.670 15.562 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.805 16.539 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.371 17.788 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.408 17.602 1.265 1.00 0.00 H new ATOM 1558 N GLU A 98 10.043 13.802 0.592 1.00 0.00 N ATOM 1559 CA GLU A 98 9.610 12.692 1.424 1.00 0.00 C ATOM 1560 C GLU A 98 9.749 13.053 2.905 1.00 0.00 C ATOM 1561 O GLU A 98 8.777 12.991 3.657 1.00 0.00 O ATOM 1562 CB GLU A 98 10.395 11.421 1.095 1.00 0.00 C ATOM 1563 CG GLU A 98 9.451 10.275 0.724 1.00 0.00 C ATOM 1564 CD GLU A 98 10.176 8.928 0.782 1.00 0.00 C ATOM 1565 OE1 GLU A 98 10.942 8.675 1.723 1.00 0.00 O ATOM 1566 OE2 GLU A 98 9.919 8.128 -0.198 1.00 0.00 O ATOM 0 H GLU A 98 10.771 13.570 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 98 8.559 12.495 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.079 11.615 0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.004 11.133 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.601 10.264 1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.054 10.436 -0.278 1.00 0.00 H new ATOM 1574 N VAL A 99 10.964 13.425 3.279 1.00 0.00 N ATOM 1575 CA VAL A 99 11.242 13.796 4.656 1.00 0.00 C ATOM 1576 C VAL A 99 10.664 12.735 5.593 1.00 0.00 C ATOM 1577 O VAL A 99 10.080 11.752 5.138 1.00 0.00 O ATOM 1578 CB VAL A 99 10.703 15.201 4.938 1.00 0.00 C ATOM 1579 CG1 VAL A 99 11.385 16.239 4.045 1.00 0.00 C ATOM 1580 CG2 VAL A 99 9.182 15.247 4.773 1.00 0.00 C ATOM 0 H VAL A 99 11.767 13.478 2.653 1.00 0.00 H new ATOM 0 HA VAL A 99 12.317 13.833 4.832 1.00 0.00 H new ATOM 0 HB VAL A 99 10.935 15.448 5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.984 17.228 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.459 16.232 4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.199 15.997 2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.824 16.256 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.918 14.970 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.719 14.548 5.470 1.00 0.00 H new ATOM 1590 N ALA A 100 10.846 12.968 6.885 1.00 0.00 N ATOM 1591 CA ALA A 100 10.349 12.043 7.890 1.00 0.00 C ATOM 1592 C ALA A 100 10.542 12.655 9.279 1.00 0.00 C ATOM 1593 O ALA A 100 11.059 13.764 9.406 1.00 0.00 O ATOM 1594 CB ALA A 100 11.061 10.697 7.741 1.00 0.00 C ATOM 0 H ALA A 100 11.331 13.784 7.259 1.00 0.00 H new ATOM 0 HA ALA A 100 9.282 11.864 7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.689 10.003 8.495 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.869 10.292 6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.134 10.836 7.875 1.00 0.00 H new ATOM 1600 N GLU A 101 10.117 11.905 10.284 1.00 0.00 N ATOM 1601 CA GLU A 101 10.237 12.359 11.660 1.00 0.00 C ATOM 1602 C GLU A 101 10.918 11.289 12.515 1.00 0.00 C ATOM 1603 O GLU A 101 10.998 10.128 12.116 1.00 0.00 O ATOM 1604 CB GLU A 101 8.869 12.733 12.235 1.00 0.00 C ATOM 1605 CG GLU A 101 9.019 13.584 13.498 1.00 0.00 C ATOM 1606 CD GLU A 101 7.828 14.529 13.666 1.00 0.00 C ATOM 1607 OE1 GLU A 101 7.697 15.503 12.909 1.00 0.00 O ATOM 1608 OE2 GLU A 101 7.020 14.222 14.623 1.00 0.00 O ATOM 0 H GLU A 101 9.689 10.986 10.174 1.00 0.00 H new ATOM 0 HA GLU A 101 10.857 13.255 11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.295 13.282 11.489 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.308 11.828 12.467 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.099 12.936 14.370 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.942 14.162 13.444 1.00 0.00 H new ATOM 1616 N GLU A 102 11.392 11.718 13.676 1.00 0.00 N ATOM 1617 CA GLU A 102 12.064 10.811 14.591 1.00 0.00 C ATOM 1618 C GLU A 102 13.133 10.005 13.850 1.00 0.00 C ATOM 1619 O GLU A 102 13.605 8.986 14.351 1.00 0.00 O ATOM 1620 CB GLU A 102 11.059 9.884 15.281 1.00 0.00 C ATOM 1621 CG GLU A 102 10.759 10.363 16.702 1.00 0.00 C ATOM 1622 CD GLU A 102 10.044 9.276 17.507 1.00 0.00 C ATOM 1623 OE1 GLU A 102 8.886 8.946 17.212 1.00 0.00 O ATOM 1624 OE2 GLU A 102 10.735 8.767 18.470 1.00 0.00 O ATOM 0 H GLU A 102 11.324 12.682 14.004 1.00 0.00 H new ATOM 0 HA GLU A 102 12.554 11.403 15.364 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.136 9.848 14.703 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.456 8.869 15.311 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.688 10.638 17.201 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.140 11.259 16.664 1.00 0.00 H new TER 1632 GLU A 102