USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 729 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00461 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.3!) USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00354 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 150:sc= -0.357 USER MOD Single : A 59 HIS : no HE2:sc= -2.33! X(o=-2.3!,f=-2.3) USER MOD Single : A 62 HIS : no HD1:sc= -2.48! C(o=-2.5!,f=-3.4!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.883 K(o=-0.88,f=-2.3!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 84:sc= 0.743 USER MOD Single : A 79 MET CE :methyl -167:sc= -0.0631 (180deg=-0.223) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.582 -15.205 -7.439 1.00 0.00 N ATOM 2 CA MET A 1 -15.744 -16.129 -6.694 1.00 0.00 C ATOM 3 C MET A 1 -14.546 -15.405 -6.075 1.00 0.00 C ATOM 4 O MET A 1 -13.473 -15.350 -6.674 1.00 0.00 O ATOM 5 CB MET A 1 -15.247 -17.234 -7.628 1.00 0.00 C ATOM 6 CG MET A 1 -15.727 -18.608 -7.156 1.00 0.00 C ATOM 7 SD MET A 1 -14.329 -19.688 -6.902 1.00 0.00 S ATOM 8 CE MET A 1 -13.996 -20.166 -8.589 1.00 0.00 C ATOM 0 H1 MET A 1 -17.387 -15.720 -7.849 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.934 -14.464 -6.800 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.025 -14.769 -8.202 1.00 0.00 H new ATOM 0 HA MET A 1 -16.338 -16.562 -5.889 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.605 -17.048 -8.640 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.158 -17.219 -7.668 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.292 -18.507 -6.229 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.402 -19.040 -7.895 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.145 -20.846 -8.613 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.871 -20.665 -9.005 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.769 -19.279 -9.180 1.00 0.00 H new ATOM 18 N SER A 2 -14.770 -14.869 -4.884 1.00 0.00 N ATOM 19 CA SER A 2 -13.723 -14.152 -4.178 1.00 0.00 C ATOM 20 C SER A 2 -14.262 -13.610 -2.853 1.00 0.00 C ATOM 21 O SER A 2 -14.899 -12.558 -2.822 1.00 0.00 O ATOM 22 CB SER A 2 -13.165 -13.011 -5.031 1.00 0.00 C ATOM 23 OG SER A 2 -11.767 -12.825 -4.825 1.00 0.00 O ATOM 0 H SER A 2 -15.661 -14.917 -4.391 1.00 0.00 H new ATOM 0 HA SER A 2 -12.909 -14.848 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.352 -13.221 -6.084 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.693 -12.088 -4.792 1.00 0.00 H new ATOM 0 HG SER A 2 -11.448 -12.089 -5.388 1.00 0.00 H new ATOM 29 N THR A 3 -13.987 -14.352 -1.790 1.00 0.00 N ATOM 30 CA THR A 3 -14.437 -13.959 -0.466 1.00 0.00 C ATOM 31 C THR A 3 -13.374 -14.298 0.581 1.00 0.00 C ATOM 32 O THR A 3 -12.961 -15.450 0.701 1.00 0.00 O ATOM 33 CB THR A 3 -15.784 -14.634 -0.204 1.00 0.00 C ATOM 34 OG1 THR A 3 -16.705 -13.890 -0.997 1.00 0.00 O ATOM 35 CG2 THR A 3 -16.275 -14.426 1.230 1.00 0.00 C ATOM 0 H THR A 3 -13.458 -15.224 -1.819 1.00 0.00 H new ATOM 0 HA THR A 3 -14.580 -12.880 -0.401 1.00 0.00 H new ATOM 0 HB THR A 3 -15.700 -15.702 -0.407 1.00 0.00 H new ATOM 0 HG1 THR A 3 -17.605 -14.262 -0.888 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.235 -14.925 1.362 1.00 0.00 H new ATOM 0 HG22 THR A 3 -15.549 -14.844 1.927 1.00 0.00 H new ATOM 0 HG23 THR A 3 -16.391 -13.360 1.424 1.00 0.00 H new ATOM 43 N ASP A 4 -12.961 -13.273 1.312 1.00 0.00 N ATOM 44 CA ASP A 4 -11.954 -13.448 2.345 1.00 0.00 C ATOM 45 C ASP A 4 -12.122 -12.358 3.406 1.00 0.00 C ATOM 46 O ASP A 4 -11.702 -11.220 3.203 1.00 0.00 O ATOM 47 CB ASP A 4 -10.544 -13.329 1.765 1.00 0.00 C ATOM 48 CG ASP A 4 -9.477 -14.159 2.483 1.00 0.00 C ATOM 49 OD1 ASP A 4 -9.557 -14.386 3.699 1.00 0.00 O ATOM 50 OD2 ASP A 4 -8.520 -14.584 1.730 1.00 0.00 O ATOM 0 H ASP A 4 -13.305 -12.318 1.209 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.084 -14.440 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.572 -13.629 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.245 -12.281 1.789 1.00 0.00 H new ATOM 55 N THR A 5 -12.738 -12.745 4.513 1.00 0.00 N ATOM 56 CA THR A 5 -12.967 -11.814 5.606 1.00 0.00 C ATOM 57 C THR A 5 -13.394 -10.449 5.063 1.00 0.00 C ATOM 58 O THR A 5 -12.689 -9.458 5.243 1.00 0.00 O ATOM 59 CB THR A 5 -11.696 -11.760 6.455 1.00 0.00 C ATOM 60 OG1 THR A 5 -11.669 -13.019 7.122 1.00 0.00 O ATOM 61 CG2 THR A 5 -11.793 -10.739 7.591 1.00 0.00 C ATOM 0 H THR A 5 -13.086 -13.690 4.677 1.00 0.00 H new ATOM 0 HA THR A 5 -13.787 -12.146 6.243 1.00 0.00 H new ATOM 0 HB THR A 5 -10.846 -11.516 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.875 -13.069 7.694 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.865 -10.741 8.162 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.960 -9.746 7.174 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.623 -11.002 8.247 1.00 0.00 H new ATOM 69 N GLY A 6 -14.547 -10.442 4.410 1.00 0.00 N ATOM 70 CA GLY A 6 -15.076 -9.215 3.840 1.00 0.00 C ATOM 71 C GLY A 6 -14.259 -8.779 2.622 1.00 0.00 C ATOM 72 O GLY A 6 -13.639 -9.607 1.957 1.00 0.00 O ATOM 0 H GLY A 6 -15.129 -11.266 4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -16.116 -9.363 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -15.064 -8.426 4.592 1.00 0.00 H new ATOM 76 N VAL A 7 -14.284 -7.479 2.367 1.00 0.00 N ATOM 77 CA VAL A 7 -13.553 -6.922 1.241 1.00 0.00 C ATOM 78 C VAL A 7 -13.945 -7.670 -0.035 1.00 0.00 C ATOM 79 O VAL A 7 -13.395 -8.730 -0.331 1.00 0.00 O ATOM 80 CB VAL A 7 -12.050 -6.964 1.521 1.00 0.00 C ATOM 81 CG1 VAL A 7 -11.250 -6.549 0.285 1.00 0.00 C ATOM 82 CG2 VAL A 7 -11.692 -6.091 2.725 1.00 0.00 C ATOM 0 H VAL A 7 -14.799 -6.795 2.921 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.814 -5.874 1.097 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.783 -7.993 1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.184 -6.588 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.471 -7.230 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.524 -5.533 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.618 -6.139 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.981 -5.059 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.222 -6.452 3.607 1.00 0.00 H new ATOM 92 N SER A 8 -14.892 -7.089 -0.756 1.00 0.00 N ATOM 93 CA SER A 8 -15.363 -7.687 -1.994 1.00 0.00 C ATOM 94 C SER A 8 -15.235 -6.684 -3.142 1.00 0.00 C ATOM 95 O SER A 8 -15.031 -5.493 -2.911 1.00 0.00 O ATOM 96 CB SER A 8 -16.813 -8.159 -1.860 1.00 0.00 C ATOM 97 OG SER A 8 -16.924 -9.576 -1.966 1.00 0.00 O ATOM 0 H SER A 8 -15.346 -6.210 -0.507 1.00 0.00 H new ATOM 0 HA SER A 8 -14.744 -8.558 -2.211 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.213 -7.835 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.421 -7.689 -2.633 1.00 0.00 H new ATOM 0 HG SER A 8 -17.864 -9.838 -1.874 1.00 0.00 H new ATOM 103 N LEU A 9 -15.361 -7.202 -4.355 1.00 0.00 N ATOM 104 CA LEU A 9 -15.262 -6.367 -5.539 1.00 0.00 C ATOM 105 C LEU A 9 -15.980 -5.040 -5.284 1.00 0.00 C ATOM 106 O LEU A 9 -17.208 -4.978 -5.317 1.00 0.00 O ATOM 107 CB LEU A 9 -15.777 -7.117 -6.769 1.00 0.00 C ATOM 108 CG LEU A 9 -15.732 -6.349 -8.092 1.00 0.00 C ATOM 109 CD1 LEU A 9 -16.833 -5.289 -8.147 1.00 0.00 C ATOM 110 CD2 LEU A 9 -14.345 -5.748 -8.330 1.00 0.00 C ATOM 0 H LEU A 9 -15.531 -8.190 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.219 -6.131 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.194 -8.031 -6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.808 -7.417 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.921 -7.053 -8.903 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.779 -4.757 -9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.807 -5.771 -8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.699 -4.582 -7.328 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.340 -5.208 -9.277 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.102 -5.061 -7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.604 -6.546 -8.364 1.00 0.00 H new ATOM 122 N PRO A 10 -15.162 -3.984 -5.028 1.00 0.00 N ATOM 123 CA PRO A 10 -15.706 -2.662 -4.767 1.00 0.00 C ATOM 124 C PRO A 10 -16.203 -2.009 -6.058 1.00 0.00 C ATOM 125 O PRO A 10 -17.192 -1.279 -6.048 1.00 0.00 O ATOM 126 CB PRO A 10 -14.571 -1.892 -4.111 1.00 0.00 C ATOM 127 CG PRO A 10 -13.300 -2.654 -4.449 1.00 0.00 C ATOM 128 CD PRO A 10 -13.703 -4.020 -4.981 1.00 0.00 C ATOM 0 HA PRO A 10 -16.580 -2.688 -4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.525 -0.870 -4.486 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.714 -1.830 -3.032 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.716 -2.112 -5.193 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.671 -2.759 -3.565 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.279 -4.201 -5.969 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.347 -4.819 -4.330 1.00 0.00 H new ATOM 136 N SER A 11 -15.493 -2.295 -7.140 1.00 0.00 N ATOM 137 CA SER A 11 -15.849 -1.745 -8.436 1.00 0.00 C ATOM 138 C SER A 11 -15.228 -0.357 -8.605 1.00 0.00 C ATOM 139 O SER A 11 -14.559 0.142 -7.700 1.00 0.00 O ATOM 140 CB SER A 11 -17.368 -1.670 -8.604 1.00 0.00 C ATOM 141 OG SER A 11 -17.777 -2.016 -9.924 1.00 0.00 O ATOM 0 H SER A 11 -14.673 -2.901 -7.145 1.00 0.00 H new ATOM 0 HA SER A 11 -15.457 -2.408 -9.207 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.845 -2.340 -7.889 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.709 -0.661 -8.372 1.00 0.00 H new ATOM 0 HG SER A 11 -18.753 -1.958 -9.990 1.00 0.00 H new ATOM 147 N TYR A 12 -15.470 0.228 -9.768 1.00 0.00 N ATOM 148 CA TYR A 12 -14.943 1.549 -10.067 1.00 0.00 C ATOM 149 C TYR A 12 -13.414 1.556 -10.003 1.00 0.00 C ATOM 150 O TYR A 12 -12.829 1.138 -9.005 1.00 0.00 O ATOM 151 CB TYR A 12 -15.491 2.477 -8.981 1.00 0.00 C ATOM 152 CG TYR A 12 -16.569 3.443 -9.474 1.00 0.00 C ATOM 153 CD1 TYR A 12 -16.318 4.264 -10.555 1.00 0.00 C ATOM 154 CD2 TYR A 12 -17.793 3.494 -8.839 1.00 0.00 C ATOM 155 CE1 TYR A 12 -17.333 5.174 -11.020 1.00 0.00 C ATOM 156 CE2 TYR A 12 -18.808 4.404 -9.303 1.00 0.00 C ATOM 157 CZ TYR A 12 -18.528 5.199 -10.371 1.00 0.00 C ATOM 158 OH TYR A 12 -19.487 6.058 -10.809 1.00 0.00 O ATOM 0 H TYR A 12 -16.025 -0.189 -10.516 1.00 0.00 H new ATOM 0 HA TYR A 12 -15.235 1.861 -11.070 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -15.902 1.871 -8.174 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -14.667 3.053 -8.560 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -15.360 4.224 -11.052 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -17.990 2.851 -7.994 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -17.149 5.822 -11.865 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -19.770 4.454 -8.814 1.00 0.00 H new ATOM 0 HH TYR A 12 -20.288 5.966 -10.252 1.00 0.00 H new ATOM 168 N GLU A 13 -12.811 2.035 -11.081 1.00 0.00 N ATOM 169 CA GLU A 13 -11.362 2.102 -11.160 1.00 0.00 C ATOM 170 C GLU A 13 -10.757 0.704 -11.012 1.00 0.00 C ATOM 171 O GLU A 13 -10.642 0.188 -9.901 1.00 0.00 O ATOM 172 CB GLU A 13 -10.798 3.058 -10.107 1.00 0.00 C ATOM 173 CG GLU A 13 -11.406 4.454 -10.253 1.00 0.00 C ATOM 174 CD GLU A 13 -12.611 4.627 -9.326 1.00 0.00 C ATOM 175 OE1 GLU A 13 -12.512 4.351 -8.121 1.00 0.00 O ATOM 176 OE2 GLU A 13 -13.681 5.067 -9.898 1.00 0.00 O ATOM 0 H GLU A 13 -13.300 2.380 -11.907 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.089 2.493 -12.140 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.005 2.670 -9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.714 3.117 -10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.654 5.208 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.712 4.615 -11.287 1.00 0.00 H new ATOM 183 N GLU A 14 -10.386 0.131 -12.147 1.00 0.00 N ATOM 184 CA GLU A 14 -9.796 -1.197 -12.158 1.00 0.00 C ATOM 185 C GLU A 14 -10.775 -2.217 -11.574 1.00 0.00 C ATOM 186 O GLU A 14 -11.071 -2.187 -10.380 1.00 0.00 O ATOM 187 CB GLU A 14 -8.469 -1.213 -11.397 1.00 0.00 C ATOM 188 CG GLU A 14 -7.299 -0.889 -12.328 1.00 0.00 C ATOM 189 CD GLU A 14 -6.430 0.229 -11.749 1.00 0.00 C ATOM 190 OE1 GLU A 14 -6.926 1.060 -10.973 1.00 0.00 O ATOM 191 OE2 GLU A 14 -5.198 0.216 -12.131 1.00 0.00 O ATOM 0 H GLU A 14 -10.482 0.562 -13.066 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.588 -1.473 -13.192 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.503 -0.488 -10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.317 -2.193 -10.944 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.694 -1.782 -12.481 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.679 -0.590 -13.305 1.00 0.00 H new ATOM 198 N ASP A 15 -11.252 -3.097 -12.443 1.00 0.00 N ATOM 199 CA ASP A 15 -12.191 -4.125 -12.028 1.00 0.00 C ATOM 200 C ASP A 15 -11.945 -5.394 -12.846 1.00 0.00 C ATOM 201 O ASP A 15 -12.529 -5.572 -13.914 1.00 0.00 O ATOM 202 CB ASP A 15 -13.635 -3.680 -12.269 1.00 0.00 C ATOM 203 CG ASP A 15 -14.689 -4.773 -12.079 1.00 0.00 C ATOM 204 OD1 ASP A 15 -14.359 -5.960 -11.932 1.00 0.00 O ATOM 205 OD2 ASP A 15 -15.911 -4.360 -12.085 1.00 0.00 O ATOM 0 H ASP A 15 -11.005 -3.119 -13.433 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.042 -4.309 -10.964 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.863 -2.855 -11.594 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.715 -3.292 -13.284 1.00 0.00 H new ATOM 210 N GLN A 16 -11.080 -6.244 -12.313 1.00 0.00 N ATOM 211 CA GLN A 16 -10.750 -7.492 -12.980 1.00 0.00 C ATOM 212 C GLN A 16 -9.859 -8.354 -12.083 1.00 0.00 C ATOM 213 O GLN A 16 -8.635 -8.328 -12.208 1.00 0.00 O ATOM 214 CB GLN A 16 -10.079 -7.232 -14.330 1.00 0.00 C ATOM 215 CG GLN A 16 -10.043 -8.504 -15.180 1.00 0.00 C ATOM 216 CD GLN A 16 -10.570 -8.236 -16.591 1.00 0.00 C ATOM 217 OE1 GLN A 16 -11.737 -8.423 -16.892 1.00 0.00 O ATOM 218 NE2 GLN A 16 -9.646 -7.788 -17.437 1.00 0.00 N ATOM 0 H GLN A 16 -10.598 -6.093 -11.427 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.676 -8.035 -13.170 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.619 -6.449 -14.863 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.064 -6.868 -14.171 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.021 -8.880 -15.235 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.643 -9.280 -14.705 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.686 -7.654 -17.119 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.898 -7.579 -18.403 1.00 0.00 H new ATOM 227 N GLY A 17 -10.507 -9.097 -11.198 1.00 0.00 N ATOM 228 CA GLY A 17 -9.789 -9.965 -10.280 1.00 0.00 C ATOM 229 C GLY A 17 -8.598 -10.630 -10.973 1.00 0.00 C ATOM 230 O GLY A 17 -7.460 -10.497 -10.525 1.00 0.00 O ATOM 0 H GLY A 17 -11.522 -9.116 -11.097 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.440 -9.387 -9.425 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.463 -10.730 -9.894 1.00 0.00 H new ATOM 234 N SER A 18 -8.901 -11.332 -12.055 1.00 0.00 N ATOM 235 CA SER A 18 -7.869 -12.019 -12.815 1.00 0.00 C ATOM 236 C SER A 18 -6.653 -11.107 -12.989 1.00 0.00 C ATOM 237 O SER A 18 -5.524 -11.513 -12.716 1.00 0.00 O ATOM 238 CB SER A 18 -8.396 -12.467 -14.179 1.00 0.00 C ATOM 239 OG SER A 18 -8.486 -13.886 -14.278 1.00 0.00 O ATOM 0 H SER A 18 -9.846 -11.440 -12.424 1.00 0.00 H new ATOM 0 HA SER A 18 -7.571 -12.909 -12.261 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.379 -12.029 -14.349 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.739 -12.090 -14.963 1.00 0.00 H new ATOM 0 HG SER A 18 -8.828 -14.131 -15.163 1.00 0.00 H new ATOM 245 N LYS A 19 -6.925 -9.892 -13.442 1.00 0.00 N ATOM 246 CA LYS A 19 -5.867 -8.919 -13.655 1.00 0.00 C ATOM 247 C LYS A 19 -5.103 -8.707 -12.346 1.00 0.00 C ATOM 248 O LYS A 19 -3.874 -8.650 -12.343 1.00 0.00 O ATOM 249 CB LYS A 19 -6.436 -7.630 -14.250 1.00 0.00 C ATOM 250 CG LYS A 19 -5.485 -7.040 -15.293 1.00 0.00 C ATOM 251 CD LYS A 19 -5.927 -5.635 -15.706 1.00 0.00 C ATOM 252 CE LYS A 19 -6.188 -5.563 -17.212 1.00 0.00 C ATOM 253 NZ LYS A 19 -6.171 -4.157 -17.675 1.00 0.00 N ATOM 0 H LYS A 19 -7.862 -9.559 -13.667 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.150 -9.291 -14.387 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.404 -7.833 -14.709 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.606 -6.903 -13.456 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.474 -7.003 -14.888 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.454 -7.687 -16.169 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.831 -5.360 -15.163 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.158 -4.913 -15.432 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.431 -6.137 -17.746 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.152 -6.016 -17.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.350 -4.127 -18.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.910 -3.619 -17.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.242 -3.736 -17.473 1.00 0.00 H new ATOM 267 N LEU A 20 -5.862 -8.596 -11.266 1.00 0.00 N ATOM 268 CA LEU A 20 -5.272 -8.392 -9.954 1.00 0.00 C ATOM 269 C LEU A 20 -4.386 -9.590 -9.606 1.00 0.00 C ATOM 270 O LEU A 20 -3.441 -9.463 -8.829 1.00 0.00 O ATOM 271 CB LEU A 20 -6.359 -8.110 -8.916 1.00 0.00 C ATOM 272 CG LEU A 20 -5.919 -7.320 -7.682 1.00 0.00 C ATOM 273 CD1 LEU A 20 -6.477 -5.896 -7.715 1.00 0.00 C ATOM 274 CD2 LEU A 20 -6.300 -8.055 -6.395 1.00 0.00 C ATOM 0 H LEU A 20 -6.881 -8.643 -11.273 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.631 -7.511 -9.958 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.166 -7.564 -9.404 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.773 -9.062 -8.585 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.832 -7.241 -7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.149 -5.356 -6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.114 -5.383 -8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.566 -5.932 -7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.976 -7.472 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.381 -8.187 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.815 -9.031 -6.376 1.00 0.00 H new ATOM 286 N ILE A 21 -4.723 -10.726 -10.199 1.00 0.00 N ATOM 287 CA ILE A 21 -3.969 -11.946 -9.961 1.00 0.00 C ATOM 288 C ILE A 21 -2.804 -12.022 -10.950 1.00 0.00 C ATOM 289 O ILE A 21 -1.835 -12.743 -10.719 1.00 0.00 O ATOM 290 CB ILE A 21 -4.894 -13.164 -10.006 1.00 0.00 C ATOM 291 CG1 ILE A 21 -5.896 -13.135 -8.850 1.00 0.00 C ATOM 292 CG2 ILE A 21 -4.087 -14.464 -10.032 1.00 0.00 C ATOM 293 CD1 ILE A 21 -7.172 -13.896 -9.211 1.00 0.00 C ATOM 0 H ILE A 21 -5.507 -10.828 -10.843 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.538 -11.938 -8.960 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.469 -13.122 -10.931 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.444 -13.576 -7.962 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.142 -12.102 -8.603 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.768 -15.314 -10.064 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.448 -14.478 -10.915 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.470 -14.527 -9.136 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.867 -13.860 -8.372 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.634 -13.437 -10.085 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.926 -14.934 -9.434 1.00 0.00 H new ATOM 305 N ARG A 22 -2.938 -11.267 -12.031 1.00 0.00 N ATOM 306 CA ARG A 22 -1.908 -11.240 -13.056 1.00 0.00 C ATOM 307 C ARG A 22 -0.598 -10.702 -12.478 1.00 0.00 C ATOM 308 O ARG A 22 0.448 -11.336 -12.608 1.00 0.00 O ATOM 309 CB ARG A 22 -2.332 -10.367 -14.239 1.00 0.00 C ATOM 310 CG ARG A 22 -2.394 -11.185 -15.530 1.00 0.00 C ATOM 311 CD ARG A 22 -1.656 -10.473 -16.666 1.00 0.00 C ATOM 312 NE ARG A 22 -2.413 -10.617 -17.930 1.00 0.00 N ATOM 313 CZ ARG A 22 -2.164 -9.902 -19.047 1.00 0.00 C ATOM 314 NH1 ARG A 22 -1.173 -8.984 -19.067 1.00 0.00 N ATOM 315 NH2 ARG A 22 -2.903 -10.112 -20.120 1.00 0.00 N ATOM 0 H ARG A 22 -3.743 -10.670 -12.219 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.762 -12.262 -13.407 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.308 -9.924 -14.038 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.627 -9.544 -14.359 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.952 -12.167 -15.364 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.434 -11.347 -15.813 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.532 -9.417 -16.425 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.657 -10.893 -16.781 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.170 -11.300 -17.958 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.606 -8.827 -18.234 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.991 -8.448 -19.916 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.650 -10.807 -20.097 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.728 -9.580 -20.972 1.00 0.00 H new ATOM 329 N LYS A 23 -0.697 -9.539 -11.852 1.00 0.00 N ATOM 330 CA LYS A 23 0.467 -8.909 -11.253 1.00 0.00 C ATOM 331 C LYS A 23 1.295 -9.968 -10.522 1.00 0.00 C ATOM 332 O LYS A 23 1.000 -10.312 -9.379 1.00 0.00 O ATOM 333 CB LYS A 23 0.045 -7.737 -10.365 1.00 0.00 C ATOM 334 CG LYS A 23 -0.029 -6.438 -11.170 1.00 0.00 C ATOM 335 CD LYS A 23 -1.482 -6.047 -11.447 1.00 0.00 C ATOM 336 CE LYS A 23 -1.753 -4.604 -11.018 1.00 0.00 C ATOM 337 NZ LYS A 23 -3.177 -4.432 -10.650 1.00 0.00 N ATOM 0 H LYS A 23 -1.566 -9.016 -11.746 1.00 0.00 H new ATOM 0 HA LYS A 23 1.107 -8.480 -12.024 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.926 -7.947 -9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.756 -7.622 -9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.469 -5.638 -10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.505 -6.559 -12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.697 -6.161 -12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.152 -6.721 -10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.118 -4.345 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.496 -3.923 -11.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.344 -3.447 -10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.777 -4.660 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.411 -5.068 -9.862 1.00 0.00 H new ATOM 351 N ALA A 24 2.316 -10.456 -11.212 1.00 0.00 N ATOM 352 CA ALA A 24 3.188 -11.468 -10.643 1.00 0.00 C ATOM 353 C ALA A 24 2.350 -12.674 -10.213 1.00 0.00 C ATOM 354 O ALA A 24 1.128 -12.582 -10.115 1.00 0.00 O ATOM 355 CB ALA A 24 3.981 -10.865 -9.482 1.00 0.00 C ATOM 0 H ALA A 24 2.558 -10.169 -12.160 1.00 0.00 H new ATOM 0 HA ALA A 24 3.908 -11.815 -11.384 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.636 -11.625 -9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.582 -10.031 -9.846 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.291 -10.508 -8.717 1.00 0.00 H new ATOM 361 N LYS A 25 3.042 -13.777 -9.967 1.00 0.00 N ATOM 362 CA LYS A 25 2.377 -15.000 -9.549 1.00 0.00 C ATOM 363 C LYS A 25 2.750 -15.308 -8.098 1.00 0.00 C ATOM 364 O LYS A 25 1.957 -15.888 -7.359 1.00 0.00 O ATOM 365 CB LYS A 25 2.691 -16.139 -10.520 1.00 0.00 C ATOM 366 CG LYS A 25 4.191 -16.435 -10.552 1.00 0.00 C ATOM 367 CD LYS A 25 4.824 -15.923 -11.847 1.00 0.00 C ATOM 368 CE LYS A 25 5.994 -14.983 -11.551 1.00 0.00 C ATOM 369 NZ LYS A 25 6.884 -14.875 -12.729 1.00 0.00 N ATOM 0 H LYS A 25 4.056 -13.849 -10.049 1.00 0.00 H new ATOM 0 HA LYS A 25 1.295 -14.875 -9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.146 -17.035 -10.223 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.348 -15.874 -11.520 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.676 -15.966 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.355 -17.509 -10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.172 -16.766 -12.444 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.074 -15.400 -12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.616 -13.997 -11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.558 -15.353 -10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.673 -14.233 -12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.259 -15.815 -12.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.347 -14.501 -13.537 1.00 0.00 H new ATOM 383 N GLU A 26 3.959 -14.907 -7.733 1.00 0.00 N ATOM 384 CA GLU A 26 4.448 -15.133 -6.384 1.00 0.00 C ATOM 385 C GLU A 26 5.789 -14.426 -6.179 1.00 0.00 C ATOM 386 O GLU A 26 6.817 -15.078 -5.999 1.00 0.00 O ATOM 387 CB GLU A 26 4.565 -16.629 -6.087 1.00 0.00 C ATOM 388 CG GLU A 26 3.443 -17.093 -5.157 1.00 0.00 C ATOM 389 CD GLU A 26 3.963 -18.102 -4.130 1.00 0.00 C ATOM 390 OE1 GLU A 26 5.177 -18.346 -4.062 1.00 0.00 O ATOM 391 OE2 GLU A 26 3.057 -18.639 -3.385 1.00 0.00 O ATOM 0 H GLU A 26 4.615 -14.426 -8.349 1.00 0.00 H new ATOM 0 HA GLU A 26 3.728 -14.712 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.526 -17.193 -7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.532 -16.838 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.014 -16.233 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.643 -17.545 -5.744 1.00 0.00 H new ATOM 398 N ALA A 27 5.736 -13.103 -6.215 1.00 0.00 N ATOM 399 CA ALA A 27 6.935 -12.301 -6.036 1.00 0.00 C ATOM 400 C ALA A 27 6.991 -11.791 -4.594 1.00 0.00 C ATOM 401 O ALA A 27 5.977 -11.770 -3.899 1.00 0.00 O ATOM 402 CB ALA A 27 6.944 -11.162 -7.057 1.00 0.00 C ATOM 0 H ALA A 27 4.882 -12.566 -6.365 1.00 0.00 H new ATOM 0 HA ALA A 27 7.828 -12.901 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.843 -10.560 -6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.932 -11.577 -8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.064 -10.536 -6.912 1.00 0.00 H new ATOM 408 N PRO A 28 8.220 -11.383 -4.177 1.00 0.00 N ATOM 409 CA PRO A 28 8.422 -10.875 -2.830 1.00 0.00 C ATOM 410 C PRO A 28 7.865 -9.457 -2.690 1.00 0.00 C ATOM 411 O PRO A 28 7.038 -9.029 -3.494 1.00 0.00 O ATOM 412 CB PRO A 28 9.923 -10.949 -2.604 1.00 0.00 C ATOM 413 CG PRO A 28 10.549 -11.055 -3.985 1.00 0.00 C ATOM 414 CD PRO A 28 9.444 -11.395 -4.972 1.00 0.00 C ATOM 0 HA PRO A 28 7.890 -11.456 -2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.283 -10.064 -2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.183 -11.811 -1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.030 -10.116 -4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.321 -11.824 -3.996 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.398 -10.666 -5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.609 -12.370 -5.430 1.00 0.00 H new ATOM 422 N PHE A 29 8.341 -8.768 -1.664 1.00 0.00 N ATOM 423 CA PHE A 29 7.901 -7.407 -1.408 1.00 0.00 C ATOM 424 C PHE A 29 8.783 -6.398 -2.145 1.00 0.00 C ATOM 425 O PHE A 29 8.468 -5.209 -2.191 1.00 0.00 O ATOM 426 CB PHE A 29 8.026 -7.172 0.099 1.00 0.00 C ATOM 427 CG PHE A 29 9.443 -7.365 0.643 1.00 0.00 C ATOM 428 CD1 PHE A 29 10.359 -6.367 0.523 1.00 0.00 C ATOM 429 CD2 PHE A 29 9.786 -8.535 1.246 1.00 0.00 C ATOM 430 CE1 PHE A 29 11.674 -6.547 1.028 1.00 0.00 C ATOM 431 CE2 PHE A 29 11.101 -8.714 1.751 1.00 0.00 C ATOM 432 CZ PHE A 29 12.018 -7.716 1.631 1.00 0.00 C ATOM 0 H PHE A 29 9.027 -9.127 -1.000 1.00 0.00 H new ATOM 0 HA PHE A 29 6.877 -7.276 -1.756 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.695 -6.159 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.352 -7.852 0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 29 10.087 -5.438 0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.058 -9.328 1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 29 12.402 -5.755 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 29 11.373 -9.643 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.018 -7.852 2.014 1.00 0.00 H new ATOM 442 N VAL A 30 9.872 -6.908 -2.702 1.00 0.00 N ATOM 443 CA VAL A 30 10.802 -6.066 -3.435 1.00 0.00 C ATOM 444 C VAL A 30 10.020 -5.142 -4.370 1.00 0.00 C ATOM 445 O VAL A 30 10.214 -3.927 -4.355 1.00 0.00 O ATOM 446 CB VAL A 30 11.826 -6.933 -4.170 1.00 0.00 C ATOM 447 CG1 VAL A 30 12.060 -6.419 -5.592 1.00 0.00 C ATOM 448 CG2 VAL A 30 13.141 -7.009 -3.391 1.00 0.00 C ATOM 0 H VAL A 30 10.131 -7.894 -2.660 1.00 0.00 H new ATOM 0 HA VAL A 30 11.365 -5.433 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 30 11.420 -7.942 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.792 -7.053 -6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.122 -6.441 -6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.433 -5.396 -5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.851 -7.631 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.553 -6.007 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.957 -7.443 -2.408 1.00 0.00 H new ATOM 458 N PRO A 31 9.129 -5.769 -5.184 1.00 0.00 N ATOM 459 CA PRO A 31 8.316 -5.017 -6.125 1.00 0.00 C ATOM 460 C PRO A 31 7.188 -4.275 -5.405 1.00 0.00 C ATOM 461 O PRO A 31 6.659 -3.292 -5.920 1.00 0.00 O ATOM 462 CB PRO A 31 7.808 -6.049 -7.119 1.00 0.00 C ATOM 463 CG PRO A 31 7.970 -7.398 -6.438 1.00 0.00 C ATOM 464 CD PRO A 31 8.872 -7.206 -5.230 1.00 0.00 C ATOM 0 HA PRO A 31 8.879 -4.235 -6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.765 -5.864 -7.376 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.377 -6.010 -8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.000 -7.790 -6.132 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.404 -8.123 -7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.389 -7.551 -4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.798 -7.771 -5.334 1.00 0.00 H new ATOM 472 N VAL A 32 6.855 -4.775 -4.224 1.00 0.00 N ATOM 473 CA VAL A 32 5.799 -4.172 -3.427 1.00 0.00 C ATOM 474 C VAL A 32 6.260 -2.799 -2.934 1.00 0.00 C ATOM 475 O VAL A 32 5.479 -1.849 -2.910 1.00 0.00 O ATOM 476 CB VAL A 32 5.400 -5.113 -2.289 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.425 -4.429 -1.329 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.808 -6.414 -2.836 1.00 0.00 C ATOM 0 H VAL A 32 7.297 -5.590 -3.800 1.00 0.00 H new ATOM 0 HA VAL A 32 4.905 -4.018 -4.031 1.00 0.00 H new ATOM 0 HB VAL A 32 6.301 -5.364 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.157 -5.119 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.896 -3.544 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.526 -4.136 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.533 -7.065 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.922 -6.189 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.547 -6.915 -3.461 1.00 0.00 H new ATOM 488 N GLY A 33 7.527 -2.738 -2.551 1.00 0.00 N ATOM 489 CA GLY A 33 8.102 -1.497 -2.059 1.00 0.00 C ATOM 490 C GLY A 33 8.436 -0.552 -3.215 1.00 0.00 C ATOM 491 O GLY A 33 8.109 0.633 -3.167 1.00 0.00 O ATOM 0 H GLY A 33 8.172 -3.528 -2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.402 -1.012 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.005 -1.712 -1.487 1.00 0.00 H new ATOM 495 N ILE A 34 9.085 -1.111 -4.226 1.00 0.00 N ATOM 496 CA ILE A 34 9.468 -0.333 -5.391 1.00 0.00 C ATOM 497 C ILE A 34 8.213 0.247 -6.047 1.00 0.00 C ATOM 498 O ILE A 34 8.068 1.464 -6.150 1.00 0.00 O ATOM 499 CB ILE A 34 10.324 -1.175 -6.340 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.656 -1.551 -5.688 1.00 0.00 C ATOM 501 CG2 ILE A 34 10.522 -0.461 -7.679 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.639 -0.379 -5.733 1.00 0.00 C ATOM 0 H ILE A 34 9.355 -2.094 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 34 10.093 0.510 -5.097 1.00 0.00 H new ATOM 0 HB ILE A 34 9.793 -2.104 -6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.487 -1.849 -4.653 1.00 0.00 H new ATOM 0 HG13 ILE A 34 12.086 -2.411 -6.201 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.134 -1.081 -8.335 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.552 -0.286 -8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 34 11.021 0.493 -7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.577 -0.673 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.824 -0.099 -6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.216 0.471 -5.198 1.00 0.00 H new ATOM 514 N ALA A 35 7.337 -0.652 -6.472 1.00 0.00 N ATOM 515 CA ALA A 35 6.099 -0.245 -7.115 1.00 0.00 C ATOM 516 C ALA A 35 5.247 0.542 -6.117 1.00 0.00 C ATOM 517 O ALA A 35 4.688 1.584 -6.459 1.00 0.00 O ATOM 518 CB ALA A 35 5.374 -1.479 -7.655 1.00 0.00 C ATOM 0 H ALA A 35 7.460 -1.661 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 35 6.303 0.409 -7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.445 -1.173 -8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.010 -1.986 -8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.149 -2.158 -6.832 1.00 0.00 H new ATOM 524 N GLY A 36 5.174 0.015 -4.904 1.00 0.00 N ATOM 525 CA GLY A 36 4.399 0.655 -3.855 1.00 0.00 C ATOM 526 C GLY A 36 4.759 2.137 -3.734 1.00 0.00 C ATOM 527 O GLY A 36 3.877 2.993 -3.705 1.00 0.00 O ATOM 0 H GLY A 36 5.639 -0.849 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.335 0.552 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.583 0.154 -2.905 1.00 0.00 H new ATOM 531 N PHE A 37 6.057 2.395 -3.668 1.00 0.00 N ATOM 532 CA PHE A 37 6.545 3.758 -3.551 1.00 0.00 C ATOM 533 C PHE A 37 6.243 4.559 -4.820 1.00 0.00 C ATOM 534 O PHE A 37 5.902 5.739 -4.747 1.00 0.00 O ATOM 535 CB PHE A 37 8.061 3.677 -3.363 1.00 0.00 C ATOM 536 CG PHE A 37 8.668 4.898 -2.668 1.00 0.00 C ATOM 537 CD1 PHE A 37 8.832 6.060 -3.355 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.043 4.820 -1.363 1.00 0.00 C ATOM 539 CE1 PHE A 37 9.395 7.192 -2.710 1.00 0.00 C ATOM 540 CE2 PHE A 37 9.607 5.953 -0.718 1.00 0.00 C ATOM 541 CZ PHE A 37 9.771 7.115 -1.405 1.00 0.00 C ATOM 0 H PHE A 37 6.786 1.682 -3.693 1.00 0.00 H new ATOM 0 HA PHE A 37 6.058 4.257 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.298 2.786 -2.782 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.532 3.556 -4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.534 6.121 -4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.912 3.897 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.525 8.115 -3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.906 5.892 0.318 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.200 7.977 -0.915 1.00 0.00 H new ATOM 551 N ALA A 38 6.379 3.885 -5.953 1.00 0.00 N ATOM 552 CA ALA A 38 6.124 4.519 -7.235 1.00 0.00 C ATOM 553 C ALA A 38 4.686 5.039 -7.266 1.00 0.00 C ATOM 554 O ALA A 38 4.458 6.236 -7.433 1.00 0.00 O ATOM 555 CB ALA A 38 6.409 3.524 -8.362 1.00 0.00 C ATOM 0 H ALA A 38 6.662 2.907 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 38 6.786 5.373 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.218 3.999 -9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.451 3.209 -8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.761 2.654 -8.252 1.00 0.00 H new ATOM 561 N ALA A 39 3.752 4.113 -7.102 1.00 0.00 N ATOM 562 CA ALA A 39 2.342 4.463 -7.110 1.00 0.00 C ATOM 563 C ALA A 39 2.059 5.448 -5.973 1.00 0.00 C ATOM 564 O ALA A 39 1.590 6.559 -6.212 1.00 0.00 O ATOM 565 CB ALA A 39 1.500 3.191 -7.002 1.00 0.00 C ATOM 0 H ALA A 39 3.945 3.121 -6.963 1.00 0.00 H new ATOM 0 HA ALA A 39 2.073 4.953 -8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.442 3.453 -7.008 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.717 2.538 -7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.740 2.673 -6.073 1.00 0.00 H new ATOM 571 N ILE A 40 2.357 5.003 -4.760 1.00 0.00 N ATOM 572 CA ILE A 40 2.141 5.831 -3.586 1.00 0.00 C ATOM 573 C ILE A 40 2.531 7.275 -3.907 1.00 0.00 C ATOM 574 O ILE A 40 1.733 8.193 -3.721 1.00 0.00 O ATOM 575 CB ILE A 40 2.877 5.249 -2.377 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.168 3.998 -1.854 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.057 6.305 -1.285 1.00 0.00 C ATOM 578 CD1 ILE A 40 0.863 4.364 -1.144 1.00 0.00 C ATOM 0 H ILE A 40 2.746 4.080 -4.566 1.00 0.00 H new ATOM 0 HA ILE A 40 1.086 5.839 -3.314 1.00 0.00 H new ATOM 0 HB ILE A 40 3.873 4.944 -2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.958 3.321 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.824 3.465 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.583 5.866 -0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.637 7.140 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.080 6.663 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.379 3.457 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.079 5.021 -0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.200 4.875 -1.842 1.00 0.00 H new ATOM 590 N VAL A 41 3.757 7.432 -4.383 1.00 0.00 N ATOM 591 CA VAL A 41 4.262 8.749 -4.731 1.00 0.00 C ATOM 592 C VAL A 41 3.278 9.433 -5.682 1.00 0.00 C ATOM 593 O VAL A 41 2.857 10.562 -5.438 1.00 0.00 O ATOM 594 CB VAL A 41 5.673 8.631 -5.313 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.056 9.897 -6.081 1.00 0.00 C ATOM 596 CG2 VAL A 41 6.694 8.324 -4.216 1.00 0.00 C ATOM 0 H VAL A 41 4.416 6.669 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 41 4.343 9.375 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 41 5.678 7.799 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.063 9.787 -6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.353 10.053 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.026 10.754 -5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.688 8.245 -4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.687 9.126 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.436 7.382 -3.732 1.00 0.00 H new ATOM 606 N ALA A 42 2.941 8.720 -6.747 1.00 0.00 N ATOM 607 CA ALA A 42 2.015 9.244 -7.736 1.00 0.00 C ATOM 608 C ALA A 42 0.760 9.760 -7.030 1.00 0.00 C ATOM 609 O ALA A 42 0.413 10.934 -7.151 1.00 0.00 O ATOM 610 CB ALA A 42 1.699 8.157 -8.766 1.00 0.00 C ATOM 0 H ALA A 42 3.293 7.784 -6.946 1.00 0.00 H new ATOM 0 HA ALA A 42 2.460 10.082 -8.272 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.004 8.550 -9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.619 7.845 -9.260 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.248 7.301 -8.265 1.00 0.00 H new ATOM 616 N TYR A 43 0.113 8.858 -6.307 1.00 0.00 N ATOM 617 CA TYR A 43 -1.096 9.208 -5.581 1.00 0.00 C ATOM 618 C TYR A 43 -0.895 10.485 -4.763 1.00 0.00 C ATOM 619 O TYR A 43 -1.595 11.475 -4.968 1.00 0.00 O ATOM 620 CB TYR A 43 -1.367 8.043 -4.627 1.00 0.00 C ATOM 621 CG TYR A 43 -2.512 7.129 -5.070 1.00 0.00 C ATOM 622 CD1 TYR A 43 -2.465 6.513 -6.303 1.00 0.00 C ATOM 623 CD2 TYR A 43 -3.591 6.921 -4.235 1.00 0.00 C ATOM 624 CE1 TYR A 43 -3.542 5.653 -6.720 1.00 0.00 C ATOM 625 CE2 TYR A 43 -4.668 6.061 -4.652 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.590 5.470 -5.874 1.00 0.00 C ATOM 627 OH TYR A 43 -5.608 4.657 -6.268 1.00 0.00 O ATOM 0 H TYR A 43 0.403 7.885 -6.208 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.921 9.384 -6.272 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.459 7.449 -4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.596 8.442 -3.639 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.620 6.676 -6.956 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.628 7.403 -3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.518 5.165 -7.683 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.518 5.889 -4.009 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.288 4.619 -5.563 1.00 0.00 H new ATOM 637 N GLY A 44 0.067 10.421 -3.853 1.00 0.00 N ATOM 638 CA GLY A 44 0.369 11.560 -3.003 1.00 0.00 C ATOM 639 C GLY A 44 0.458 12.849 -3.824 1.00 0.00 C ATOM 640 O GLY A 44 -0.238 13.821 -3.537 1.00 0.00 O ATOM 0 H GLY A 44 0.647 9.598 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.402 11.663 -2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.312 11.390 -2.483 1.00 0.00 H new ATOM 644 N LEU A 45 1.320 12.814 -4.830 1.00 0.00 N ATOM 645 CA LEU A 45 1.509 13.966 -5.694 1.00 0.00 C ATOM 646 C LEU A 45 0.144 14.472 -6.167 1.00 0.00 C ATOM 647 O LEU A 45 -0.129 15.671 -6.115 1.00 0.00 O ATOM 648 CB LEU A 45 2.468 13.628 -6.837 1.00 0.00 C ATOM 649 CG LEU A 45 3.901 14.143 -6.684 1.00 0.00 C ATOM 650 CD1 LEU A 45 4.837 13.030 -6.211 1.00 0.00 C ATOM 651 CD2 LEU A 45 4.391 14.793 -7.980 1.00 0.00 C ATOM 0 H LEU A 45 1.895 12.005 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 45 1.980 14.781 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.502 12.544 -6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.055 14.030 -7.762 1.00 0.00 H new ATOM 0 HG LEU A 45 3.906 14.915 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.849 13.423 -6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.497 12.654 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.834 12.218 -6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.412 15.151 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.367 14.060 -8.786 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.743 15.632 -8.234 1.00 0.00 H new ATOM 663 N TYR A 46 -0.676 13.534 -6.618 1.00 0.00 N ATOM 664 CA TYR A 46 -2.005 13.871 -7.099 1.00 0.00 C ATOM 665 C TYR A 46 -2.878 14.412 -5.966 1.00 0.00 C ATOM 666 O TYR A 46 -3.485 15.474 -6.098 1.00 0.00 O ATOM 667 CB TYR A 46 -2.610 12.563 -7.613 1.00 0.00 C ATOM 668 CG TYR A 46 -2.470 12.364 -9.124 1.00 0.00 C ATOM 669 CD1 TYR A 46 -3.234 13.117 -9.993 1.00 0.00 C ATOM 670 CD2 TYR A 46 -1.582 11.431 -9.617 1.00 0.00 C ATOM 671 CE1 TYR A 46 -3.102 12.930 -11.414 1.00 0.00 C ATOM 672 CE2 TYR A 46 -1.450 11.243 -11.039 1.00 0.00 C ATOM 673 CZ TYR A 46 -2.217 12.002 -11.867 1.00 0.00 C ATOM 674 OH TYR A 46 -2.093 11.825 -13.210 1.00 0.00 O ATOM 0 H TYR A 46 -0.446 12.541 -6.660 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.951 14.639 -7.870 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.132 11.728 -7.101 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.667 12.535 -7.350 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.931 13.846 -9.607 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.985 10.841 -8.937 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.692 13.513 -12.105 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.758 10.516 -11.438 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.424 11.131 -13.388 1.00 0.00 H new ATOM 684 N LYS A 47 -2.913 13.658 -4.877 1.00 0.00 N ATOM 685 CA LYS A 47 -3.702 14.049 -3.721 1.00 0.00 C ATOM 686 C LYS A 47 -3.308 15.465 -3.296 1.00 0.00 C ATOM 687 O LYS A 47 -4.171 16.303 -3.038 1.00 0.00 O ATOM 688 CB LYS A 47 -3.568 13.012 -2.605 1.00 0.00 C ATOM 689 CG LYS A 47 -4.749 12.040 -2.614 1.00 0.00 C ATOM 690 CD LYS A 47 -4.265 10.589 -2.646 1.00 0.00 C ATOM 691 CE LYS A 47 -5.447 9.617 -2.679 1.00 0.00 C ATOM 692 NZ LYS A 47 -5.824 9.213 -1.306 1.00 0.00 N ATOM 0 H LYS A 47 -2.408 12.778 -4.771 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.762 14.075 -3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.637 12.459 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.515 13.516 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.365 12.202 -1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.379 12.236 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.635 10.431 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.649 10.388 -1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.298 10.086 -3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.185 8.736 -3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.627 8.554 -1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.016 8.746 -0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.094 10.055 -0.758 1.00 0.00 H new ATOM 706 N LEU A 48 -2.003 15.689 -3.235 1.00 0.00 N ATOM 707 CA LEU A 48 -1.484 16.989 -2.845 1.00 0.00 C ATOM 708 C LEU A 48 -2.316 18.086 -3.513 1.00 0.00 C ATOM 709 O LEU A 48 -2.967 18.877 -2.833 1.00 0.00 O ATOM 710 CB LEU A 48 0.013 17.081 -3.148 1.00 0.00 C ATOM 711 CG LEU A 48 0.702 18.382 -2.732 1.00 0.00 C ATOM 712 CD1 LEU A 48 1.458 18.205 -1.413 1.00 0.00 C ATOM 713 CD2 LEU A 48 1.611 18.902 -3.848 1.00 0.00 C ATOM 0 H LEU A 48 -1.290 14.992 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.576 17.129 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.516 16.252 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.156 16.944 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.066 19.137 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.939 19.145 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.759 17.914 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.216 17.430 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.089 19.828 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.375 18.158 -4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.017 19.092 -4.742 1.00 0.00 H new ATOM 725 N LYS A 49 -2.266 18.099 -4.837 1.00 0.00 N ATOM 726 CA LYS A 49 -3.006 19.086 -5.604 1.00 0.00 C ATOM 727 C LYS A 49 -4.490 19.001 -5.240 1.00 0.00 C ATOM 728 O LYS A 49 -5.056 17.910 -5.181 1.00 0.00 O ATOM 729 CB LYS A 49 -2.729 18.920 -7.100 1.00 0.00 C ATOM 730 CG LYS A 49 -1.346 19.462 -7.465 1.00 0.00 C ATOM 731 CD LYS A 49 -1.363 20.989 -7.560 1.00 0.00 C ATOM 732 CE LYS A 49 -0.881 21.458 -8.935 1.00 0.00 C ATOM 733 NZ LYS A 49 -0.889 22.936 -9.010 1.00 0.00 N ATOM 0 H LYS A 49 -1.724 17.442 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.673 20.093 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.793 17.866 -7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.492 19.444 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.619 19.149 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.025 19.038 -8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.373 21.357 -7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.726 21.412 -6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.126 21.084 -9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.523 21.045 -9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.559 23.238 -9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.856 23.286 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.258 23.324 -8.280 1.00 0.00 H new ATOM 747 N SER A 50 -5.077 20.165 -5.006 1.00 0.00 N ATOM 748 CA SER A 50 -6.484 20.236 -4.650 1.00 0.00 C ATOM 749 C SER A 50 -7.326 20.514 -5.897 1.00 0.00 C ATOM 750 O SER A 50 -7.488 21.665 -6.296 1.00 0.00 O ATOM 751 CB SER A 50 -6.730 21.313 -3.592 1.00 0.00 C ATOM 752 OG SER A 50 -7.086 20.751 -2.331 1.00 0.00 O ATOM 0 H SER A 50 -4.604 21.067 -5.056 1.00 0.00 H new ATOM 0 HA SER A 50 -6.779 19.276 -4.227 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.832 21.921 -3.478 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.525 21.978 -3.930 1.00 0.00 H new ATOM 0 HG SER A 50 -7.233 21.470 -1.682 1.00 0.00 H new ATOM 758 N ARG A 51 -7.839 19.439 -6.477 1.00 0.00 N ATOM 759 CA ARG A 51 -8.661 19.552 -7.670 1.00 0.00 C ATOM 760 C ARG A 51 -9.046 18.163 -8.184 1.00 0.00 C ATOM 761 O ARG A 51 -8.358 17.599 -9.033 1.00 0.00 O ATOM 762 CB ARG A 51 -7.924 20.311 -8.776 1.00 0.00 C ATOM 763 CG ARG A 51 -8.809 21.409 -9.370 1.00 0.00 C ATOM 764 CD ARG A 51 -8.361 22.792 -8.893 1.00 0.00 C ATOM 765 NE ARG A 51 -9.007 23.843 -9.711 1.00 0.00 N ATOM 766 CZ ARG A 51 -8.641 25.142 -9.700 1.00 0.00 C ATOM 767 NH1 ARG A 51 -7.629 25.563 -8.911 1.00 0.00 N ATOM 768 NH2 ARG A 51 -9.288 25.996 -10.471 1.00 0.00 N ATOM 0 H ARG A 51 -7.701 18.485 -6.143 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.561 20.106 -7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.012 20.752 -8.374 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.624 19.617 -9.561 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.768 21.365 -10.458 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.847 21.240 -9.083 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.621 22.926 -7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.277 22.878 -8.966 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.777 23.568 -10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.135 24.897 -8.317 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.359 26.547 -8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.052 25.671 -11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.024 26.981 -10.474 1.00 0.00 H new ATOM 782 N GLY A 52 -10.144 17.653 -7.647 1.00 0.00 N ATOM 783 CA GLY A 52 -10.629 16.341 -8.041 1.00 0.00 C ATOM 784 C GLY A 52 -11.364 15.658 -6.885 1.00 0.00 C ATOM 785 O GLY A 52 -11.651 16.289 -5.869 1.00 0.00 O ATOM 0 H GLY A 52 -10.712 18.124 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.299 16.438 -8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.792 15.721 -8.361 1.00 0.00 H new ATOM 789 N ASN A 53 -11.648 14.379 -7.080 1.00 0.00 N ATOM 790 CA ASN A 53 -12.344 13.604 -6.066 1.00 0.00 C ATOM 791 C ASN A 53 -11.339 13.124 -5.018 1.00 0.00 C ATOM 792 O ASN A 53 -10.287 12.587 -5.361 1.00 0.00 O ATOM 793 CB ASN A 53 -13.013 12.372 -6.678 1.00 0.00 C ATOM 794 CG ASN A 53 -12.001 11.525 -7.451 1.00 0.00 C ATOM 795 OD1 ASN A 53 -11.125 10.889 -6.887 1.00 0.00 O ATOM 796 ND2 ASN A 53 -12.168 11.552 -8.770 1.00 0.00 N ATOM 0 H ASN A 53 -11.409 13.860 -7.925 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.105 14.242 -5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.468 11.772 -5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.816 12.684 -7.345 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.542 11.019 -9.374 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.922 12.105 -9.177 1.00 0.00 H new ATOM 803 N THR A 54 -11.698 13.335 -3.760 1.00 0.00 N ATOM 804 CA THR A 54 -10.841 12.931 -2.659 1.00 0.00 C ATOM 805 C THR A 54 -11.639 12.872 -1.355 1.00 0.00 C ATOM 806 O THR A 54 -12.626 13.588 -1.194 1.00 0.00 O ATOM 807 CB THR A 54 -9.656 13.897 -2.603 1.00 0.00 C ATOM 808 OG1 THR A 54 -8.831 13.375 -1.564 1.00 0.00 O ATOM 809 CG2 THR A 54 -10.056 15.285 -2.098 1.00 0.00 C ATOM 0 H THR A 54 -12.571 13.781 -3.479 1.00 0.00 H new ATOM 0 HA THR A 54 -10.451 11.924 -2.810 1.00 0.00 H new ATOM 0 HB THR A 54 -9.212 13.985 -3.595 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.037 13.941 -1.461 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.179 15.932 -2.078 1.00 0.00 H new ATOM 0 HG22 THR A 54 -10.806 15.712 -2.764 1.00 0.00 H new ATOM 0 HG23 THR A 54 -10.469 15.201 -1.093 1.00 0.00 H new ATOM 817 N LYS A 55 -11.182 12.011 -0.457 1.00 0.00 N ATOM 818 CA LYS A 55 -11.842 11.849 0.827 1.00 0.00 C ATOM 819 C LYS A 55 -10.853 12.177 1.948 1.00 0.00 C ATOM 820 O LYS A 55 -9.671 11.849 1.854 1.00 0.00 O ATOM 821 CB LYS A 55 -12.459 10.454 0.941 1.00 0.00 C ATOM 822 CG LYS A 55 -13.680 10.468 1.863 1.00 0.00 C ATOM 823 CD LYS A 55 -13.291 10.091 3.294 1.00 0.00 C ATOM 824 CE LYS A 55 -14.345 10.570 4.293 1.00 0.00 C ATOM 825 NZ LYS A 55 -14.477 9.607 5.409 1.00 0.00 N ATOM 0 H LYS A 55 -10.363 11.419 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.673 12.548 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.750 10.099 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.717 9.754 1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.135 11.459 1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.430 9.770 1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.177 9.010 3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.325 10.532 3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.068 11.550 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.305 10.687 3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.197 9.948 6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.763 8.680 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.564 9.516 5.899 1.00 0.00 H new ATOM 839 N MET A 56 -11.373 12.820 2.983 1.00 0.00 N ATOM 840 CA MET A 56 -10.550 13.195 4.121 1.00 0.00 C ATOM 841 C MET A 56 -9.458 14.183 3.706 1.00 0.00 C ATOM 842 O MET A 56 -9.278 14.452 2.519 1.00 0.00 O ATOM 843 CB MET A 56 -9.906 11.944 4.721 1.00 0.00 C ATOM 844 CG MET A 56 -10.032 11.940 6.245 1.00 0.00 C ATOM 845 SD MET A 56 -10.590 10.341 6.808 1.00 0.00 S ATOM 846 CE MET A 56 -9.459 10.076 8.163 1.00 0.00 C ATOM 0 H MET A 56 -12.354 13.091 3.058 1.00 0.00 H new ATOM 0 HA MET A 56 -11.187 13.677 4.863 1.00 0.00 H new ATOM 0 HB2 MET A 56 -10.382 11.053 4.311 1.00 0.00 H new ATOM 0 HB3 MET A 56 -8.854 11.902 4.439 1.00 0.00 H new ATOM 0 HG2 MET A 56 -9.070 12.179 6.698 1.00 0.00 H new ATOM 0 HG3 MET A 56 -10.734 12.711 6.562 1.00 0.00 H new ATOM 0 HE1 MET A 56 -9.670 9.114 8.630 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.435 10.081 7.789 1.00 0.00 H new ATOM 0 HE3 MET A 56 -9.580 10.871 8.899 1.00 0.00 H new ATOM 856 N SER A 57 -8.758 14.696 4.706 1.00 0.00 N ATOM 857 CA SER A 57 -7.688 15.648 4.460 1.00 0.00 C ATOM 858 C SER A 57 -6.359 15.086 4.969 1.00 0.00 C ATOM 859 O SER A 57 -5.831 15.551 5.978 1.00 0.00 O ATOM 860 CB SER A 57 -7.985 16.994 5.124 1.00 0.00 C ATOM 861 OG SER A 57 -6.969 17.957 4.858 1.00 0.00 O ATOM 0 H SER A 57 -8.911 14.471 5.689 1.00 0.00 H new ATOM 0 HA SER A 57 -7.617 15.812 3.385 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.944 17.371 4.767 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.079 16.854 6.201 1.00 0.00 H new ATOM 0 HG SER A 57 -7.362 18.855 4.852 1.00 0.00 H new ATOM 867 N ILE A 58 -5.858 14.095 4.248 1.00 0.00 N ATOM 868 CA ILE A 58 -4.601 13.464 4.614 1.00 0.00 C ATOM 869 C ILE A 58 -3.491 14.517 4.623 1.00 0.00 C ATOM 870 O ILE A 58 -2.837 14.727 5.644 1.00 0.00 O ATOM 871 CB ILE A 58 -4.312 12.273 3.699 1.00 0.00 C ATOM 872 CG1 ILE A 58 -5.338 11.158 3.909 1.00 0.00 C ATOM 873 CG2 ILE A 58 -2.877 11.775 3.884 1.00 0.00 C ATOM 874 CD1 ILE A 58 -6.290 11.057 2.716 1.00 0.00 C ATOM 0 H ILE A 58 -6.299 13.713 3.412 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.660 13.054 5.622 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.406 12.606 2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.824 10.207 4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.908 11.350 4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.698 10.928 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.180 12.577 3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.730 11.464 4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.009 10.257 2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.821 12.001 2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.720 10.841 1.813 1.00 0.00 H new ATOM 886 N HIS A 59 -3.311 15.151 3.473 1.00 0.00 N ATOM 887 CA HIS A 59 -2.292 16.177 3.335 1.00 0.00 C ATOM 888 C HIS A 59 -2.742 17.449 4.057 1.00 0.00 C ATOM 889 O HIS A 59 -3.027 18.461 3.419 1.00 0.00 O ATOM 890 CB HIS A 59 -1.959 16.418 1.862 1.00 0.00 C ATOM 891 CG HIS A 59 -0.794 15.603 1.354 1.00 0.00 C ATOM 892 ND1 HIS A 59 -0.814 14.220 1.299 1.00 0.00 N ATOM 893 CD2 HIS A 59 0.424 15.989 0.878 1.00 0.00 C ATOM 894 CE1 HIS A 59 0.346 13.804 0.812 1.00 0.00 C ATOM 895 NE2 HIS A 59 1.112 14.902 0.552 1.00 0.00 N ATOM 0 H HIS A 59 -3.854 14.973 2.628 1.00 0.00 H new ATOM 0 HA HIS A 59 -1.368 15.841 3.806 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.838 16.190 1.259 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.739 17.476 1.718 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -1.590 13.623 1.585 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.770 17.007 0.782 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.634 12.776 0.649 1.00 0.00 H new ATOM 903 N LEU A 60 -2.792 17.355 5.378 1.00 0.00 N ATOM 904 CA LEU A 60 -3.203 18.485 6.193 1.00 0.00 C ATOM 905 C LEU A 60 -1.969 19.299 6.588 1.00 0.00 C ATOM 906 O LEU A 60 -1.761 20.402 6.086 1.00 0.00 O ATOM 907 CB LEU A 60 -4.034 18.011 7.387 1.00 0.00 C ATOM 908 CG LEU A 60 -4.860 19.085 8.098 1.00 0.00 C ATOM 909 CD1 LEU A 60 -6.125 19.419 7.304 1.00 0.00 C ATOM 910 CD2 LEU A 60 -5.179 18.669 9.535 1.00 0.00 C ATOM 0 H LEU A 60 -2.555 16.514 5.904 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.855 19.148 5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.710 17.227 7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.362 17.557 8.115 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.263 19.996 8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.694 20.185 7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.848 19.788 6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.735 18.522 7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.767 19.450 10.018 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.748 17.739 9.527 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.250 18.521 10.086 1.00 0.00 H new ATOM 922 N ILE A 61 -1.182 18.723 7.485 1.00 0.00 N ATOM 923 CA ILE A 61 0.026 19.381 7.953 1.00 0.00 C ATOM 924 C ILE A 61 1.225 18.458 7.727 1.00 0.00 C ATOM 925 O ILE A 61 1.385 17.459 8.426 1.00 0.00 O ATOM 926 CB ILE A 61 -0.138 19.830 9.407 1.00 0.00 C ATOM 927 CG1 ILE A 61 1.012 20.747 9.830 1.00 0.00 C ATOM 928 CG2 ILE A 61 -0.284 18.627 10.340 1.00 0.00 C ATOM 929 CD1 ILE A 61 2.185 19.936 10.383 1.00 0.00 C ATOM 0 H ILE A 61 -1.357 17.808 7.900 1.00 0.00 H new ATOM 0 HA ILE A 61 0.211 20.290 7.381 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.058 20.410 9.484 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.344 21.337 8.976 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.662 21.449 10.586 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.399 18.975 11.367 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.162 18.048 10.053 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.604 18.000 10.267 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.988 20.612 10.676 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.856 19.366 11.251 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.548 19.252 9.616 1.00 0.00 H new ATOM 941 N HIS A 62 2.037 18.825 6.746 1.00 0.00 N ATOM 942 CA HIS A 62 3.217 18.043 6.418 1.00 0.00 C ATOM 943 C HIS A 62 3.827 18.556 5.113 1.00 0.00 C ATOM 944 O HIS A 62 3.424 19.601 4.604 1.00 0.00 O ATOM 945 CB HIS A 62 2.882 16.550 6.370 1.00 0.00 C ATOM 946 CG HIS A 62 3.254 15.797 7.625 1.00 0.00 C ATOM 947 ND1 HIS A 62 4.344 16.134 8.407 1.00 0.00 N ATOM 948 CD2 HIS A 62 2.668 14.721 8.224 1.00 0.00 C ATOM 949 CE1 HIS A 62 4.403 15.292 9.428 1.00 0.00 C ATOM 950 NE2 HIS A 62 3.364 14.416 9.313 1.00 0.00 N ATOM 0 H HIS A 62 1.901 19.654 6.168 1.00 0.00 H new ATOM 0 HA HIS A 62 3.967 18.164 7.200 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.813 16.433 6.192 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.397 16.099 5.522 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.787 14.204 7.872 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.144 15.298 10.214 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.156 13.653 9.957 1.00 0.00 H new ATOM 958 N MET A 63 4.789 17.798 4.608 1.00 0.00 N ATOM 959 CA MET A 63 5.459 18.163 3.372 1.00 0.00 C ATOM 960 C MET A 63 5.581 16.958 2.437 1.00 0.00 C ATOM 961 O MET A 63 6.617 16.761 1.804 1.00 0.00 O ATOM 962 CB MET A 63 6.854 18.708 3.688 1.00 0.00 C ATOM 963 CG MET A 63 6.808 20.215 3.949 1.00 0.00 C ATOM 964 SD MET A 63 8.241 21.002 3.235 1.00 0.00 S ATOM 965 CE MET A 63 8.184 22.574 4.078 1.00 0.00 C ATOM 0 H MET A 63 5.121 16.932 5.033 1.00 0.00 H new ATOM 0 HA MET A 63 4.865 18.928 2.872 1.00 0.00 H new ATOM 0 HB2 MET A 63 7.259 18.196 4.561 1.00 0.00 H new ATOM 0 HB3 MET A 63 7.527 18.500 2.856 1.00 0.00 H new ATOM 0 HG2 MET A 63 5.899 20.639 3.522 1.00 0.00 H new ATOM 0 HG3 MET A 63 6.775 20.406 5.022 1.00 0.00 H new ATOM 0 HE1 MET A 63 9.016 23.195 3.747 1.00 0.00 H new ATOM 0 HE2 MET A 63 7.244 23.075 3.850 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.257 22.413 5.154 1.00 0.00 H new ATOM 975 N ARG A 64 4.508 16.183 2.380 1.00 0.00 N ATOM 976 CA ARG A 64 4.482 15.002 1.534 1.00 0.00 C ATOM 977 C ARG A 64 5.473 13.957 2.050 1.00 0.00 C ATOM 978 O ARG A 64 5.070 12.923 2.582 1.00 0.00 O ATOM 979 CB ARG A 64 4.831 15.354 0.087 1.00 0.00 C ATOM 980 CG ARG A 64 3.897 16.438 -0.454 1.00 0.00 C ATOM 981 CD ARG A 64 4.688 17.548 -1.149 1.00 0.00 C ATOM 982 NE ARG A 64 4.477 17.480 -2.613 1.00 0.00 N ATOM 983 CZ ARG A 64 5.291 18.056 -3.523 1.00 0.00 C ATOM 984 NH1 ARG A 64 6.380 18.748 -3.127 1.00 0.00 N ATOM 985 NH2 ARG A 64 5.006 17.931 -4.806 1.00 0.00 N ATOM 0 H ARG A 64 3.650 16.350 2.906 1.00 0.00 H new ATOM 0 HA ARG A 64 3.471 14.595 1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.864 15.698 0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.758 14.462 -0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.190 15.996 -1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.313 16.860 0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.372 18.521 -0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.749 17.447 -0.921 1.00 0.00 H new ATOM 0 HE ARG A 64 3.666 16.966 -2.956 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.593 18.839 -2.134 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.990 19.180 -3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.181 17.406 -5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.610 18.360 -5.507 1.00 0.00 H new ATOM 999 N VAL A 65 6.751 14.262 1.876 1.00 0.00 N ATOM 1000 CA VAL A 65 7.802 13.362 2.317 1.00 0.00 C ATOM 1001 C VAL A 65 7.547 12.960 3.771 1.00 0.00 C ATOM 1002 O VAL A 65 7.487 11.773 4.089 1.00 0.00 O ATOM 1003 CB VAL A 65 9.171 14.014 2.109 1.00 0.00 C ATOM 1004 CG1 VAL A 65 10.276 13.194 2.777 1.00 0.00 C ATOM 1005 CG2 VAL A 65 9.461 14.217 0.621 1.00 0.00 C ATOM 0 H VAL A 65 7.082 15.120 1.435 1.00 0.00 H new ATOM 0 HA VAL A 65 7.797 12.449 1.721 1.00 0.00 H new ATOM 0 HB VAL A 65 9.150 14.995 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.238 13.679 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.081 13.125 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.297 12.193 2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.440 14.682 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.453 13.252 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.697 14.862 0.186 1.00 0.00 H new ATOM 1015 N ALA A 66 7.402 13.972 4.615 1.00 0.00 N ATOM 1016 CA ALA A 66 7.154 13.738 6.027 1.00 0.00 C ATOM 1017 C ALA A 66 6.002 12.744 6.181 1.00 0.00 C ATOM 1018 O ALA A 66 6.174 11.674 6.763 1.00 0.00 O ATOM 1019 CB ALA A 66 6.871 15.071 6.723 1.00 0.00 C ATOM 0 H ALA A 66 7.452 14.955 4.348 1.00 0.00 H new ATOM 0 HA ALA A 66 8.032 13.301 6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.685 14.896 7.783 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.732 15.730 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.995 15.538 6.273 1.00 0.00 H new ATOM 1025 N ALA A 67 4.852 13.133 5.649 1.00 0.00 N ATOM 1026 CA ALA A 67 3.672 12.289 5.720 1.00 0.00 C ATOM 1027 C ALA A 67 4.018 10.891 5.204 1.00 0.00 C ATOM 1028 O ALA A 67 3.416 9.903 5.625 1.00 0.00 O ATOM 1029 CB ALA A 67 2.533 12.936 4.929 1.00 0.00 C ATOM 0 H ALA A 67 4.713 14.021 5.167 1.00 0.00 H new ATOM 0 HA ALA A 67 3.336 12.186 6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.647 12.303 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.306 13.914 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.834 13.053 3.888 1.00 0.00 H new ATOM 1035 N GLN A 68 4.986 10.851 4.300 1.00 0.00 N ATOM 1036 CA GLN A 68 5.419 9.590 3.723 1.00 0.00 C ATOM 1037 C GLN A 68 6.162 8.755 4.768 1.00 0.00 C ATOM 1038 O GLN A 68 5.979 7.541 4.842 1.00 0.00 O ATOM 1039 CB GLN A 68 6.290 9.824 2.487 1.00 0.00 C ATOM 1040 CG GLN A 68 5.705 9.118 1.262 1.00 0.00 C ATOM 1041 CD GLN A 68 5.550 7.617 1.516 1.00 0.00 C ATOM 1042 OE1 GLN A 68 4.562 7.152 2.060 1.00 0.00 O ATOM 1043 NE2 GLN A 68 6.578 6.888 1.092 1.00 0.00 N ATOM 0 H GLN A 68 5.483 11.672 3.953 1.00 0.00 H new ATOM 0 HA GLN A 68 4.536 9.036 3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.370 10.893 2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.299 9.458 2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.735 9.551 1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.353 9.280 0.401 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.374 7.341 0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.570 5.875 1.214 1.00 0.00 H new ATOM 1052 N GLY A 69 6.985 9.439 5.549 1.00 0.00 N ATOM 1053 CA GLY A 69 7.756 8.776 6.586 1.00 0.00 C ATOM 1054 C GLY A 69 6.840 8.200 7.668 1.00 0.00 C ATOM 1055 O GLY A 69 7.013 7.057 8.089 1.00 0.00 O ATOM 0 H GLY A 69 7.135 10.446 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.352 7.977 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.453 9.484 7.034 1.00 0.00 H new ATOM 1059 N PHE A 70 5.885 9.017 8.086 1.00 0.00 N ATOM 1060 CA PHE A 70 4.940 8.603 9.110 1.00 0.00 C ATOM 1061 C PHE A 70 4.118 7.401 8.643 1.00 0.00 C ATOM 1062 O PHE A 70 4.073 6.374 9.320 1.00 0.00 O ATOM 1063 CB PHE A 70 4.000 9.785 9.355 1.00 0.00 C ATOM 1064 CG PHE A 70 4.347 10.609 10.597 1.00 0.00 C ATOM 1065 CD1 PHE A 70 5.513 11.307 10.646 1.00 0.00 C ATOM 1066 CD2 PHE A 70 3.490 10.642 11.652 1.00 0.00 C ATOM 1067 CE1 PHE A 70 5.835 12.072 11.798 1.00 0.00 C ATOM 1068 CE2 PHE A 70 3.812 11.407 12.805 1.00 0.00 C ATOM 1069 CZ PHE A 70 4.978 12.106 12.853 1.00 0.00 C ATOM 0 H PHE A 70 5.745 9.964 7.734 1.00 0.00 H new ATOM 0 HA PHE A 70 5.474 8.314 10.015 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.018 10.437 8.482 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.981 9.411 9.453 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.194 11.279 9.808 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.565 10.087 11.614 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.761 12.627 11.836 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.131 11.434 13.643 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.223 12.688 13.729 1.00 0.00 H new ATOM 1079 N VAL A 71 3.488 7.567 7.490 1.00 0.00 N ATOM 1080 CA VAL A 71 2.669 6.508 6.924 1.00 0.00 C ATOM 1081 C VAL A 71 3.537 5.270 6.686 1.00 0.00 C ATOM 1082 O VAL A 71 3.125 4.151 6.987 1.00 0.00 O ATOM 1083 CB VAL A 71 1.975 7.004 5.655 1.00 0.00 C ATOM 1084 CG1 VAL A 71 1.290 5.851 4.918 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.977 8.119 5.976 1.00 0.00 C ATOM 0 H VAL A 71 3.528 8.420 6.931 1.00 0.00 H new ATOM 0 HA VAL A 71 1.879 6.223 7.619 1.00 0.00 H new ATOM 0 HB VAL A 71 2.738 7.417 4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.804 6.231 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.034 5.104 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.544 5.395 5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.497 8.454 5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.220 7.743 6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.502 8.956 6.437 1.00 0.00 H new ATOM 1095 N VAL A 72 4.723 5.513 6.147 1.00 0.00 N ATOM 1096 CA VAL A 72 5.652 4.433 5.865 1.00 0.00 C ATOM 1097 C VAL A 72 5.839 3.584 7.125 1.00 0.00 C ATOM 1098 O VAL A 72 5.770 2.358 7.067 1.00 0.00 O ATOM 1099 CB VAL A 72 6.967 5.001 5.327 1.00 0.00 C ATOM 1100 CG1 VAL A 72 8.130 4.043 5.597 1.00 0.00 C ATOM 1101 CG2 VAL A 72 6.856 5.321 3.835 1.00 0.00 C ATOM 0 H VAL A 72 5.061 6.443 5.898 1.00 0.00 H new ATOM 0 HA VAL A 72 5.253 3.780 5.089 1.00 0.00 H new ATOM 0 HB VAL A 72 7.171 5.932 5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.052 4.471 5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.231 3.887 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.936 3.088 5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.804 5.723 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.617 4.411 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.068 6.057 3.678 1.00 0.00 H new ATOM 1111 N GLY A 73 6.071 4.272 8.234 1.00 0.00 N ATOM 1112 CA GLY A 73 6.268 3.596 9.505 1.00 0.00 C ATOM 1113 C GLY A 73 5.040 2.763 9.879 1.00 0.00 C ATOM 1114 O GLY A 73 5.142 1.552 10.068 1.00 0.00 O ATOM 0 H GLY A 73 6.127 5.290 8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.145 2.951 9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.465 4.331 10.285 1.00 0.00 H new ATOM 1118 N ALA A 74 3.908 3.445 9.974 1.00 0.00 N ATOM 1119 CA ALA A 74 2.663 2.782 10.322 1.00 0.00 C ATOM 1120 C ALA A 74 2.516 1.510 9.485 1.00 0.00 C ATOM 1121 O ALA A 74 2.327 0.423 10.029 1.00 0.00 O ATOM 1122 CB ALA A 74 1.496 3.751 10.120 1.00 0.00 C ATOM 0 H ALA A 74 3.827 4.449 9.816 1.00 0.00 H new ATOM 0 HA ALA A 74 2.665 2.487 11.371 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.561 3.254 10.381 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.633 4.624 10.758 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.461 4.066 9.077 1.00 0.00 H new ATOM 1128 N MET A 75 2.607 1.688 8.175 1.00 0.00 N ATOM 1129 CA MET A 75 2.487 0.567 7.258 1.00 0.00 C ATOM 1130 C MET A 75 3.483 -0.539 7.610 1.00 0.00 C ATOM 1131 O MET A 75 3.096 -1.691 7.797 1.00 0.00 O ATOM 1132 CB MET A 75 2.741 1.048 5.828 1.00 0.00 C ATOM 1133 CG MET A 75 1.429 1.404 5.127 1.00 0.00 C ATOM 1134 SD MET A 75 1.269 0.465 3.617 1.00 0.00 S ATOM 1135 CE MET A 75 -0.409 -0.116 3.789 1.00 0.00 C ATOM 0 H MET A 75 2.762 2.591 7.727 1.00 0.00 H new ATOM 0 HA MET A 75 1.479 0.161 7.340 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.396 1.919 5.845 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.258 0.271 5.266 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.587 1.195 5.786 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.403 2.471 4.906 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.674 -0.724 2.924 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.495 -0.716 4.695 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.085 0.737 3.853 1.00 0.00 H new ATOM 1145 N THR A 76 4.747 -0.150 7.689 1.00 0.00 N ATOM 1146 CA THR A 76 5.802 -1.094 8.015 1.00 0.00 C ATOM 1147 C THR A 76 5.351 -2.032 9.137 1.00 0.00 C ATOM 1148 O THR A 76 5.448 -3.251 9.008 1.00 0.00 O ATOM 1149 CB THR A 76 7.061 -0.296 8.359 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.549 0.145 7.095 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.184 -1.181 8.904 1.00 0.00 C ATOM 0 H THR A 76 5.064 0.807 7.533 1.00 0.00 H new ATOM 0 HA THR A 76 6.031 -1.740 7.167 1.00 0.00 H new ATOM 0 HB THR A 76 6.815 0.472 9.093 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.081 0.964 6.831 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.054 -0.565 9.132 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.845 -1.681 9.811 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.454 -1.928 8.157 1.00 0.00 H new ATOM 1159 N VAL A 77 4.866 -1.426 10.211 1.00 0.00 N ATOM 1160 CA VAL A 77 4.400 -2.191 11.355 1.00 0.00 C ATOM 1161 C VAL A 77 3.275 -3.129 10.911 1.00 0.00 C ATOM 1162 O VAL A 77 3.307 -4.324 11.203 1.00 0.00 O ATOM 1163 CB VAL A 77 3.979 -1.245 12.481 1.00 0.00 C ATOM 1164 CG1 VAL A 77 3.285 -2.011 13.610 1.00 0.00 C ATOM 1165 CG2 VAL A 77 5.178 -0.456 13.010 1.00 0.00 C ATOM 0 H VAL A 77 4.786 -0.414 10.313 1.00 0.00 H new ATOM 0 HA VAL A 77 5.203 -2.811 11.753 1.00 0.00 H new ATOM 0 HB VAL A 77 3.263 -0.532 12.071 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.996 -1.315 14.398 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.396 -2.507 13.220 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.968 -2.757 14.017 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.852 0.209 13.810 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.927 -1.148 13.396 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.611 0.133 12.202 1.00 0.00 H new ATOM 1175 N GLY A 78 2.309 -2.553 10.212 1.00 0.00 N ATOM 1176 CA GLY A 78 1.177 -3.323 9.725 1.00 0.00 C ATOM 1177 C GLY A 78 1.644 -4.570 8.972 1.00 0.00 C ATOM 1178 O GLY A 78 1.139 -5.667 9.207 1.00 0.00 O ATOM 0 H GLY A 78 2.286 -1.562 9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.544 -3.616 10.563 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.568 -2.704 9.067 1.00 0.00 H new ATOM 1182 N MET A 79 2.605 -4.361 8.084 1.00 0.00 N ATOM 1183 CA MET A 79 3.147 -5.455 7.296 1.00 0.00 C ATOM 1184 C MET A 79 3.857 -6.474 8.189 1.00 0.00 C ATOM 1185 O MET A 79 3.613 -7.675 8.083 1.00 0.00 O ATOM 1186 CB MET A 79 4.134 -4.903 6.266 1.00 0.00 C ATOM 1187 CG MET A 79 4.596 -6.001 5.306 1.00 0.00 C ATOM 1188 SD MET A 79 3.263 -6.454 4.210 1.00 0.00 S ATOM 1189 CE MET A 79 2.879 -8.078 4.843 1.00 0.00 C ATOM 0 H MET A 79 3.022 -3.450 7.893 1.00 0.00 H new ATOM 0 HA MET A 79 2.322 -5.956 6.789 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.664 -4.097 5.703 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.997 -4.475 6.777 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.451 -5.653 4.727 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.926 -6.873 5.870 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.232 -8.600 4.138 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.801 -8.644 4.976 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.370 -7.984 5.802 1.00 0.00 H new ATOM 1199 N GLY A 80 4.723 -5.958 9.049 1.00 0.00 N ATOM 1200 CA GLY A 80 5.471 -6.809 9.960 1.00 0.00 C ATOM 1201 C GLY A 80 4.541 -7.777 10.694 1.00 0.00 C ATOM 1202 O GLY A 80 4.883 -8.941 10.893 1.00 0.00 O ATOM 0 H GLY A 80 4.924 -4.962 9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.222 -7.371 9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.005 -6.193 10.683 1.00 0.00 H new ATOM 1206 N TYR A 81 3.382 -7.260 11.076 1.00 0.00 N ATOM 1207 CA TYR A 81 2.401 -8.064 11.784 1.00 0.00 C ATOM 1208 C TYR A 81 1.480 -8.794 10.803 1.00 0.00 C ATOM 1209 O TYR A 81 0.827 -9.770 11.169 1.00 0.00 O ATOM 1210 CB TYR A 81 1.568 -7.082 12.611 1.00 0.00 C ATOM 1211 CG TYR A 81 1.903 -7.087 14.104 1.00 0.00 C ATOM 1212 CD1 TYR A 81 1.498 -8.140 14.898 1.00 0.00 C ATOM 1213 CD2 TYR A 81 2.610 -6.038 14.656 1.00 0.00 C ATOM 1214 CE1 TYR A 81 1.813 -8.145 16.304 1.00 0.00 C ATOM 1215 CE2 TYR A 81 2.925 -6.043 16.061 1.00 0.00 C ATOM 1216 CZ TYR A 81 2.510 -7.096 16.816 1.00 0.00 C ATOM 1217 OH TYR A 81 2.808 -7.100 18.143 1.00 0.00 O ATOM 0 H TYR A 81 3.101 -6.294 10.908 1.00 0.00 H new ATOM 0 HA TYR A 81 2.894 -8.816 12.400 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.716 -6.076 12.219 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.512 -7.321 12.485 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.945 -8.961 14.466 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.927 -5.214 14.034 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.503 -8.963 16.937 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.478 -5.229 16.506 1.00 0.00 H new ATOM 0 HH TYR A 81 3.310 -6.289 18.368 1.00 0.00 H new ATOM 1227 N SER A 82 1.459 -8.293 9.577 1.00 0.00 N ATOM 1228 CA SER A 82 0.630 -8.885 8.541 1.00 0.00 C ATOM 1229 C SER A 82 -0.711 -9.326 9.132 1.00 0.00 C ATOM 1230 O SER A 82 -0.923 -10.512 9.381 1.00 0.00 O ATOM 1231 CB SER A 82 1.335 -10.072 7.882 1.00 0.00 C ATOM 1232 OG SER A 82 0.574 -10.617 6.808 1.00 0.00 O ATOM 0 H SER A 82 2.003 -7.484 9.278 1.00 0.00 H new ATOM 0 HA SER A 82 0.452 -8.131 7.774 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.309 -9.754 7.511 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.515 -10.846 8.628 1.00 0.00 H new ATOM 0 HG SER A 82 1.059 -11.371 6.413 1.00 0.00 H new ATOM 1238 N MET A 83 -1.580 -8.348 9.340 1.00 0.00 N ATOM 1239 CA MET A 83 -2.894 -8.621 9.897 1.00 0.00 C ATOM 1240 C MET A 83 -2.780 -9.312 11.257 1.00 0.00 C ATOM 1241 O MET A 83 -1.766 -9.941 11.555 1.00 0.00 O ATOM 1242 CB MET A 83 -3.682 -9.513 8.935 1.00 0.00 C ATOM 1243 CG MET A 83 -4.676 -8.689 8.114 1.00 0.00 C ATOM 1244 SD MET A 83 -5.922 -9.758 7.413 1.00 0.00 S ATOM 1245 CE MET A 83 -6.729 -8.611 6.309 1.00 0.00 C ATOM 0 H MET A 83 -1.400 -7.366 9.133 1.00 0.00 H new ATOM 0 HA MET A 83 -3.414 -7.673 10.035 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.994 -10.031 8.267 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.216 -10.279 9.498 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.145 -7.935 8.746 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.152 -8.158 7.320 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.540 -9.118 5.786 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.133 -7.777 6.883 1.00 0.00 H new ATOM 0 HE3 MET A 83 -6.008 -8.236 5.583 1.00 0.00 H new ATOM 1255 N TYR A 84 -3.835 -9.172 12.047 1.00 0.00 N ATOM 1256 CA TYR A 84 -3.866 -9.775 13.368 1.00 0.00 C ATOM 1257 C TYR A 84 -3.278 -11.187 13.340 1.00 0.00 C ATOM 1258 O TYR A 84 -3.907 -12.116 12.837 1.00 0.00 O ATOM 1259 CB TYR A 84 -5.343 -9.859 13.759 1.00 0.00 C ATOM 1260 CG TYR A 84 -5.737 -8.926 14.905 1.00 0.00 C ATOM 1261 CD1 TYR A 84 -5.125 -9.048 16.136 1.00 0.00 C ATOM 1262 CD2 TYR A 84 -6.705 -7.962 14.709 1.00 0.00 C ATOM 1263 CE1 TYR A 84 -5.496 -8.170 17.215 1.00 0.00 C ATOM 1264 CE2 TYR A 84 -7.076 -7.083 15.788 1.00 0.00 C ATOM 1265 CZ TYR A 84 -6.454 -7.231 16.988 1.00 0.00 C ATOM 1266 OH TYR A 84 -6.804 -6.401 18.007 1.00 0.00 O ATOM 0 H TYR A 84 -4.675 -8.650 11.797 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.280 -9.185 14.073 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.953 -9.624 12.887 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.575 -10.885 14.043 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.368 -9.802 16.290 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.185 -7.867 13.746 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.024 -8.255 18.183 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.831 -6.324 15.647 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.498 -5.781 17.700 1.00 0.00 H new ATOM 1276 N ARG A 85 -2.077 -11.304 13.888 1.00 0.00 N ATOM 1277 CA ARG A 85 -1.396 -12.587 13.932 1.00 0.00 C ATOM 1278 C ARG A 85 -0.460 -12.650 15.140 1.00 0.00 C ATOM 1279 O ARG A 85 -0.600 -13.523 15.995 1.00 0.00 O ATOM 1280 CB ARG A 85 -0.587 -12.826 12.656 1.00 0.00 C ATOM 1281 CG ARG A 85 -0.993 -14.140 11.987 1.00 0.00 C ATOM 1282 CD ARG A 85 -0.487 -14.200 10.544 1.00 0.00 C ATOM 1283 NE ARG A 85 0.737 -15.029 10.471 1.00 0.00 N ATOM 1284 CZ ARG A 85 0.739 -16.379 10.488 1.00 0.00 C ATOM 1285 NH1 ARG A 85 -0.420 -17.065 10.577 1.00 0.00 N ATOM 1286 NH2 ARG A 85 1.892 -17.018 10.417 1.00 0.00 N ATOM 0 H ARG A 85 -1.558 -10.531 14.305 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.157 -13.363 14.017 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.741 -11.999 11.963 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.476 -12.849 12.894 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.590 -14.980 12.553 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.078 -14.239 12.000 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.258 -14.618 9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.277 -13.194 10.181 1.00 0.00 H new ATOM 0 HE ARG A 85 1.635 -14.550 10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.307 -16.564 10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.409 -18.085 10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.763 -16.492 10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.911 -18.038 10.429 1.00 0.00 H new ATOM 1300 N GLU A 86 0.476 -11.712 15.173 1.00 0.00 N ATOM 1301 CA GLU A 86 1.435 -11.649 16.263 1.00 0.00 C ATOM 1302 C GLU A 86 2.384 -12.848 16.204 1.00 0.00 C ATOM 1303 O GLU A 86 2.197 -13.829 16.922 1.00 0.00 O ATOM 1304 CB GLU A 86 0.724 -11.579 17.616 1.00 0.00 C ATOM 1305 CG GLU A 86 1.660 -11.040 18.700 1.00 0.00 C ATOM 1306 CD GLU A 86 1.234 -11.530 20.085 1.00 0.00 C ATOM 1307 OE1 GLU A 86 0.901 -12.713 20.249 1.00 0.00 O ATOM 1308 OE2 GLU A 86 1.258 -10.633 21.012 1.00 0.00 O ATOM 0 H GLU A 86 0.590 -10.989 14.462 1.00 0.00 H new ATOM 0 HA GLU A 86 2.023 -10.738 16.151 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.154 -10.938 17.537 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.370 -12.571 17.897 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.682 -11.360 18.495 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.657 -9.950 18.679 1.00 0.00 H new ATOM 1315 N PHE A 87 3.383 -12.729 15.341 1.00 0.00 N ATOM 1316 CA PHE A 87 4.361 -13.791 15.179 1.00 0.00 C ATOM 1317 C PHE A 87 5.556 -13.313 14.351 1.00 0.00 C ATOM 1318 O PHE A 87 5.556 -13.432 13.127 1.00 0.00 O ATOM 1319 CB PHE A 87 3.664 -14.932 14.435 1.00 0.00 C ATOM 1320 CG PHE A 87 4.287 -16.307 14.682 1.00 0.00 C ATOM 1321 CD1 PHE A 87 4.104 -16.932 15.876 1.00 0.00 C ATOM 1322 CD2 PHE A 87 5.023 -16.905 13.707 1.00 0.00 C ATOM 1323 CE1 PHE A 87 4.682 -18.209 16.105 1.00 0.00 C ATOM 1324 CE2 PHE A 87 5.601 -18.182 13.936 1.00 0.00 C ATOM 1325 CZ PHE A 87 5.418 -18.807 15.130 1.00 0.00 C ATOM 0 H PHE A 87 3.536 -11.914 14.747 1.00 0.00 H new ATOM 0 HA PHE A 87 4.731 -14.108 16.154 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.616 -14.960 14.734 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.685 -14.721 13.366 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.519 -16.457 16.650 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.168 -16.409 12.759 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.537 -18.705 17.053 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.186 -18.657 13.162 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.857 -19.778 15.304 1.00 0.00 H new ATOM 1335 N TRP A 88 6.547 -12.782 15.053 1.00 0.00 N ATOM 1336 CA TRP A 88 7.745 -12.286 14.398 1.00 0.00 C ATOM 1337 C TRP A 88 8.911 -13.195 14.794 1.00 0.00 C ATOM 1338 O TRP A 88 8.860 -13.861 15.827 1.00 0.00 O ATOM 1339 CB TRP A 88 7.990 -10.816 14.744 1.00 0.00 C ATOM 1340 CG TRP A 88 8.227 -9.921 13.525 1.00 0.00 C ATOM 1341 CD1 TRP A 88 8.567 -10.292 12.284 1.00 0.00 C ATOM 1342 CD2 TRP A 88 8.127 -8.482 13.483 1.00 0.00 C ATOM 1343 NE1 TRP A 88 8.694 -9.201 11.447 1.00 0.00 N ATOM 1344 CE2 TRP A 88 8.417 -8.066 12.200 1.00 0.00 C ATOM 1345 CE3 TRP A 88 7.801 -7.562 14.495 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 8.411 -6.721 11.810 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 7.800 -6.222 14.090 1.00 0.00 C ATOM 1348 CH2 TRP A 88 8.090 -5.787 12.802 1.00 0.00 C ATOM 0 H TRP A 88 6.544 -12.685 16.068 1.00 0.00 H new ATOM 0 HA TRP A 88 7.632 -12.316 13.314 1.00 0.00 H new ATOM 0 HB2 TRP A 88 7.133 -10.436 15.300 1.00 0.00 H new ATOM 0 HB3 TRP A 88 8.854 -10.748 15.405 1.00 0.00 H new ATOM 0 HD1 TRP A 88 8.722 -11.316 11.976 1.00 0.00 H new ATOM 0 HE1 TRP A 88 8.945 -9.224 10.459 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.570 -7.865 15.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.642 -6.421 10.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 7.557 -5.474 14.830 1.00 0.00 H new ATOM 0 HH2 TRP A 88 8.068 -4.733 12.568 1.00 0.00 H new ATOM 1359 N ALA A 89 9.933 -13.193 13.951 1.00 0.00 N ATOM 1360 CA ALA A 89 11.109 -14.009 14.200 1.00 0.00 C ATOM 1361 C ALA A 89 12.360 -13.238 13.772 1.00 0.00 C ATOM 1362 O ALA A 89 13.218 -12.932 14.598 1.00 0.00 O ATOM 1363 CB ALA A 89 10.969 -15.345 13.466 1.00 0.00 C ATOM 0 H ALA A 89 9.971 -12.639 13.095 1.00 0.00 H new ATOM 0 HA ALA A 89 11.204 -14.229 15.263 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.851 -15.957 13.653 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.082 -15.867 13.826 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.873 -15.164 12.395 1.00 0.00 H new ATOM 1369 N LYS A 90 12.423 -12.946 12.481 1.00 0.00 N ATOM 1370 CA LYS A 90 13.554 -12.217 11.933 1.00 0.00 C ATOM 1371 C LYS A 90 14.813 -13.080 12.042 1.00 0.00 C ATOM 1372 O LYS A 90 15.521 -13.028 13.047 1.00 0.00 O ATOM 1373 CB LYS A 90 13.686 -10.849 12.606 1.00 0.00 C ATOM 1374 CG LYS A 90 14.094 -9.777 11.593 1.00 0.00 C ATOM 1375 CD LYS A 90 13.305 -8.485 11.814 1.00 0.00 C ATOM 1376 CE LYS A 90 13.511 -7.511 10.653 1.00 0.00 C ATOM 1377 NZ LYS A 90 12.595 -6.356 10.776 1.00 0.00 N ATOM 0 H LYS A 90 11.709 -13.201 11.799 1.00 0.00 H new ATOM 0 HA LYS A 90 13.398 -12.012 10.874 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.738 -10.575 13.069 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.427 -10.902 13.403 1.00 0.00 H new ATOM 0 HG2 LYS A 90 15.161 -9.575 11.682 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.922 -10.144 10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.245 -8.715 11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.621 -8.017 12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.544 -7.164 10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.336 -8.022 9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.748 -5.705 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.610 -6.691 10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.781 -5.859 11.670 1.00 0.00 H new ATOM 1391 N PRO A 91 15.061 -13.874 10.966 1.00 0.00 N ATOM 1392 CA PRO A 91 16.222 -14.746 10.931 1.00 0.00 C ATOM 1393 C PRO A 91 17.501 -13.947 10.679 1.00 0.00 C ATOM 1394 O PRO A 91 18.534 -14.211 11.293 1.00 0.00 O ATOM 1395 CB PRO A 91 15.924 -15.753 9.832 1.00 0.00 C ATOM 1396 CG PRO A 91 14.827 -15.132 8.983 1.00 0.00 C ATOM 1397 CD PRO A 91 14.245 -13.961 9.758 1.00 0.00 C ATOM 0 HA PRO A 91 16.397 -15.252 11.880 1.00 0.00 H new ATOM 0 HB2 PRO A 91 16.813 -15.954 9.235 1.00 0.00 H new ATOM 0 HB3 PRO A 91 15.601 -16.705 10.252 1.00 0.00 H new ATOM 0 HG2 PRO A 91 15.228 -14.795 8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.053 -15.867 8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 91 14.295 -13.039 9.179 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.196 -14.129 10.000 1.00 0.00 H new ATOM 1405 N LYS A 92 17.391 -12.985 9.774 1.00 0.00 N ATOM 1406 CA LYS A 92 18.527 -12.145 9.433 1.00 0.00 C ATOM 1407 C LYS A 92 19.770 -13.020 9.259 1.00 0.00 C ATOM 1408 O LYS A 92 20.528 -13.222 10.206 1.00 0.00 O ATOM 1409 CB LYS A 92 18.699 -11.031 10.468 1.00 0.00 C ATOM 1410 CG LYS A 92 19.104 -9.717 9.797 1.00 0.00 C ATOM 1411 CD LYS A 92 19.623 -8.712 10.828 1.00 0.00 C ATOM 1412 CE LYS A 92 19.883 -7.350 10.182 1.00 0.00 C ATOM 1413 NZ LYS A 92 21.250 -6.878 10.500 1.00 0.00 N ATOM 0 H LYS A 92 16.533 -12.769 9.267 1.00 0.00 H new ATOM 0 HA LYS A 92 18.356 -11.641 8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 92 17.767 -10.892 11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 92 19.457 -11.320 11.196 1.00 0.00 H new ATOM 0 HG2 LYS A 92 19.875 -9.908 9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.248 -9.294 9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.897 -8.604 11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 92 20.543 -9.088 11.276 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.759 -7.424 9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 92 19.150 -6.626 10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 21.410 -5.952 10.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 21.355 -6.788 11.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 21.946 -7.561 10.139 1.00 0.00 H new ATOM 1427 N PRO A 93 19.944 -13.530 8.011 1.00 0.00 N ATOM 1428 CA PRO A 93 21.081 -14.379 7.700 1.00 0.00 C ATOM 1429 C PRO A 93 22.364 -13.554 7.580 1.00 0.00 C ATOM 1430 O PRO A 93 23.205 -13.829 6.726 1.00 0.00 O ATOM 1431 CB PRO A 93 20.705 -15.084 6.407 1.00 0.00 C ATOM 1432 CG PRO A 93 19.580 -14.263 5.797 1.00 0.00 C ATOM 1433 CD PRO A 93 19.065 -13.312 6.865 1.00 0.00 C ATOM 0 HA PRO A 93 21.292 -15.104 8.486 1.00 0.00 H new ATOM 0 HB2 PRO A 93 21.558 -15.141 5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 93 20.382 -16.107 6.600 1.00 0.00 H new ATOM 0 HG2 PRO A 93 19.940 -13.706 4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 93 18.779 -14.914 5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 93 19.106 -12.277 6.526 1.00 0.00 H new ATOM 0 HD3 PRO A 93 18.026 -13.525 7.117 1.00 0.00 H new TER 1441 PRO A 93