USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 714 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 16 SER OG : rot 180:sc= -0.664 USER MOD Single : A 18 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 23 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -142:sc= -0.133 (180deg=-1.85) USER MOD Single : A 39 SER OG : rot 180:sc= -1.04 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -2.04 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 157:sc=-0.00218 (180deg=-0.345) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.5) USER MOD Single : A 75 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.36) USER MOD Single : A 76 HIS : no HD1:sc= -0.0987 X(o=-0.099,f=-0.42) USER MOD Single : A 79 THR OG1 : rot 106:sc= -3.09! USER MOD Single : A 84 CYS SG : rot -129:sc= -0.343 USER MOD Single : A 85 CYS SG : rot 180:sc= 0.0256 USER MOD Single : A 94 SER OG : rot 76:sc= -0.306 USER MOD Single : A 96 ASN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 160:sc= -0.348 USER MOD Single : A 105 ASN :FLIP amide:sc= -0.996 F(o=-1.5,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -10.336 -13.730 -9.447 1.00 0.00 N ATOM 2 CA SER A 16 -9.540 -14.702 -10.240 1.00 0.00 C ATOM 3 C SER A 16 -9.547 -16.081 -9.584 1.00 0.00 C ATOM 4 O SER A 16 -9.524 -16.192 -8.358 1.00 0.00 O ATOM 5 CB SER A 16 -8.103 -14.188 -10.355 1.00 0.00 C ATOM 6 OG SER A 16 -7.923 -13.442 -11.547 1.00 0.00 O ATOM 0 HA SER A 16 -9.984 -14.799 -11.231 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.866 -13.565 -9.493 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.410 -15.029 -10.340 1.00 0.00 H new ATOM 0 HG SER A 16 -6.998 -13.123 -11.597 1.00 0.00 H new ATOM 14 N PRO A 17 -9.569 -17.157 -10.391 1.00 0.00 N ATOM 15 CA PRO A 17 -9.569 -18.527 -9.870 1.00 0.00 C ATOM 16 C PRO A 17 -8.414 -18.769 -8.904 1.00 0.00 C ATOM 17 O PRO A 17 -8.477 -19.659 -8.056 1.00 0.00 O ATOM 18 CB PRO A 17 -9.407 -19.388 -11.124 1.00 0.00 C ATOM 19 CG PRO A 17 -9.922 -18.542 -12.237 1.00 0.00 C ATOM 20 CD PRO A 17 -9.589 -17.125 -11.865 1.00 0.00 C ATOM 0 HA PRO A 17 -10.473 -18.750 -9.303 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.364 -19.660 -11.284 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.970 -20.318 -11.041 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.457 -18.817 -13.184 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.997 -18.671 -12.360 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -8.627 -16.817 -12.274 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.334 -16.424 -12.242 1.00 0.00 H new ATOM 28 N THR A 18 -7.362 -17.963 -9.036 1.00 0.00 N ATOM 29 CA THR A 18 -6.188 -18.073 -8.181 1.00 0.00 C ATOM 30 C THR A 18 -5.112 -17.070 -8.610 1.00 0.00 C ATOM 31 O THR A 18 -4.594 -16.318 -7.785 1.00 0.00 O ATOM 32 CB THR A 18 -5.638 -19.510 -8.199 1.00 0.00 C ATOM 33 OG1 THR A 18 -6.264 -20.293 -7.198 1.00 0.00 O ATOM 34 CG2 THR A 18 -4.142 -19.603 -7.971 1.00 0.00 C ATOM 0 H THR A 18 -7.302 -17.222 -9.734 1.00 0.00 H new ATOM 0 HA THR A 18 -6.483 -17.836 -7.159 1.00 0.00 H new ATOM 0 HB THR A 18 -5.854 -19.879 -9.202 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.189 -20.481 -7.460 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.834 -20.648 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.620 -19.050 -8.752 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.895 -19.178 -6.998 1.00 0.00 H new ATOM 42 N PRO A 19 -4.760 -17.044 -9.910 1.00 0.00 N ATOM 43 CA PRO A 19 -3.739 -16.125 -10.431 1.00 0.00 C ATOM 44 C PRO A 19 -4.083 -14.663 -10.168 1.00 0.00 C ATOM 45 O PRO A 19 -4.777 -14.022 -10.957 1.00 0.00 O ATOM 46 CB PRO A 19 -3.732 -16.405 -11.938 1.00 0.00 C ATOM 47 CG PRO A 19 -4.314 -17.768 -12.079 1.00 0.00 C ATOM 48 CD PRO A 19 -5.317 -17.904 -10.970 1.00 0.00 C ATOM 0 HA PRO A 19 -2.774 -16.284 -9.950 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.322 -15.666 -12.480 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.721 -16.364 -12.342 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.789 -17.891 -13.052 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.541 -18.533 -12.002 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.308 -17.572 -11.280 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.416 -18.938 -10.640 1.00 0.00 H new ATOM 56 N VAL A 20 -3.587 -14.138 -9.048 1.00 0.00 N ATOM 57 CA VAL A 20 -3.832 -12.750 -8.670 1.00 0.00 C ATOM 58 C VAL A 20 -3.592 -11.795 -9.837 1.00 0.00 C ATOM 59 O VAL A 20 -3.062 -12.189 -10.875 1.00 0.00 O ATOM 60 CB VAL A 20 -2.930 -12.326 -7.497 1.00 0.00 C ATOM 61 CG1 VAL A 20 -3.385 -12.983 -6.204 1.00 0.00 C ATOM 62 CG2 VAL A 20 -1.477 -12.664 -7.795 1.00 0.00 C ATOM 0 H VAL A 20 -3.011 -14.657 -8.385 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.878 -12.692 -8.370 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.011 -11.246 -7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.734 -12.670 -5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.410 -12.684 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.338 -14.067 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.853 -12.358 -6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.377 -13.739 -7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.158 -12.138 -8.695 1.00 0.00 H new ATOM 72 N GLU A 21 -3.981 -10.537 -9.652 1.00 0.00 N ATOM 73 CA GLU A 21 -3.804 -9.521 -10.682 1.00 0.00 C ATOM 74 C GLU A 21 -2.996 -8.344 -10.142 1.00 0.00 C ATOM 75 O GLU A 21 -3.376 -7.719 -9.151 1.00 0.00 O ATOM 76 CB GLU A 21 -5.165 -9.036 -11.189 1.00 0.00 C ATOM 77 CG GLU A 21 -5.388 -9.293 -12.670 1.00 0.00 C ATOM 78 CD GLU A 21 -6.487 -8.426 -13.251 1.00 0.00 C ATOM 79 OE1 GLU A 21 -7.671 -8.676 -12.937 1.00 0.00 O ATOM 80 OE2 GLU A 21 -6.166 -7.496 -14.021 1.00 0.00 O ATOM 0 H GLU A 21 -4.421 -10.197 -8.797 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.256 -9.966 -11.513 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.953 -9.530 -10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.255 -7.967 -10.996 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.460 -9.109 -13.211 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.641 -10.343 -12.819 1.00 0.00 H new ATOM 87 N LEU A 22 -1.878 -8.049 -10.797 1.00 0.00 N ATOM 88 CA LEU A 22 -1.011 -6.956 -10.381 1.00 0.00 C ATOM 89 C LEU A 22 -1.721 -5.609 -10.466 1.00 0.00 C ATOM 90 O LEU A 22 -2.447 -5.334 -11.422 1.00 0.00 O ATOM 91 CB LEU A 22 0.248 -6.932 -11.242 1.00 0.00 C ATOM 92 CG LEU A 22 1.370 -7.841 -10.750 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.542 -7.819 -11.719 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.816 -7.418 -9.357 1.00 0.00 C ATOM 0 H LEU A 22 -1.552 -8.554 -11.621 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.740 -7.126 -9.339 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.017 -7.222 -12.259 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.621 -5.909 -11.289 1.00 0.00 H new ATOM 0 HG LEU A 22 0.993 -8.862 -10.699 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.332 -8.474 -11.350 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.211 -8.166 -12.698 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.924 -6.802 -11.804 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.617 -8.074 -9.017 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.177 -6.390 -9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.974 -7.487 -8.669 1.00 0.00 H new ATOM 106 N HIS A 23 -1.493 -4.769 -9.460 1.00 0.00 N ATOM 107 CA HIS A 23 -2.093 -3.441 -9.409 1.00 0.00 C ATOM 108 C HIS A 23 -1.133 -2.440 -8.772 1.00 0.00 C ATOM 109 O HIS A 23 -0.724 -2.607 -7.619 1.00 0.00 O ATOM 110 CB HIS A 23 -3.401 -3.470 -8.613 1.00 0.00 C ATOM 111 CG HIS A 23 -4.522 -4.182 -9.304 1.00 0.00 C ATOM 112 ND1 HIS A 23 -4.644 -4.244 -10.676 1.00 0.00 N ATOM 113 CD2 HIS A 23 -5.580 -4.862 -8.802 1.00 0.00 C ATOM 114 CE1 HIS A 23 -5.729 -4.929 -10.989 1.00 0.00 C ATOM 115 NE2 HIS A 23 -6.314 -5.315 -9.870 1.00 0.00 N ATOM 0 H HIS A 23 -0.893 -4.988 -8.665 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.304 -3.130 -10.432 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.218 -3.950 -7.652 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.709 -2.446 -8.404 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -3.997 -3.826 -11.345 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.804 -5.019 -7.757 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.078 -5.138 -11.989 1.00 0.00 H new ATOM 124 N LYS A 24 -0.784 -1.399 -9.518 1.00 0.00 N ATOM 125 CA LYS A 24 0.117 -0.369 -9.012 1.00 0.00 C ATOM 126 C LYS A 24 -0.614 0.514 -8.009 1.00 0.00 C ATOM 127 O LYS A 24 -1.546 1.232 -8.368 1.00 0.00 O ATOM 128 CB LYS A 24 0.663 0.480 -10.160 1.00 0.00 C ATOM 129 CG LYS A 24 2.000 1.134 -9.851 1.00 0.00 C ATOM 130 CD LYS A 24 3.163 0.304 -10.373 1.00 0.00 C ATOM 131 CE LYS A 24 3.815 0.956 -11.582 1.00 0.00 C ATOM 132 NZ LYS A 24 4.652 2.126 -11.198 1.00 0.00 N ATOM 0 H LYS A 24 -1.109 -1.245 -10.472 1.00 0.00 H new ATOM 0 HA LYS A 24 0.956 -0.855 -8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.771 -0.147 -11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.063 1.255 -10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.032 2.128 -10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.101 1.266 -8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.904 0.177 -9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.809 -0.691 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.432 0.223 -12.101 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.043 1.276 -12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.079 2.542 -12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.058 2.837 -10.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.404 1.817 -10.550 1.00 0.00 H new ATOM 146 N VAL A 25 -0.202 0.444 -6.748 1.00 0.00 N ATOM 147 CA VAL A 25 -0.842 1.229 -5.698 1.00 0.00 C ATOM 148 C VAL A 25 0.125 2.221 -5.062 1.00 0.00 C ATOM 149 O VAL A 25 1.289 1.907 -4.817 1.00 0.00 O ATOM 150 CB VAL A 25 -1.430 0.330 -4.584 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.928 0.554 -4.453 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.129 -1.140 -4.844 1.00 0.00 C ATOM 0 H VAL A 25 0.568 -0.144 -6.429 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.650 1.775 -6.185 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.953 0.607 -3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.324 -0.087 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.119 1.598 -4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.416 0.312 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.555 -1.746 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.566 -1.438 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.050 -1.290 -4.877 1.00 0.00 H new ATOM 162 N THR A 26 -0.380 3.418 -4.788 1.00 0.00 N ATOM 163 CA THR A 26 0.414 4.464 -4.163 1.00 0.00 C ATOM 164 C THR A 26 -0.379 5.115 -3.033 1.00 0.00 C ATOM 165 O THR A 26 -1.322 5.867 -3.280 1.00 0.00 O ATOM 166 CB THR A 26 0.813 5.516 -5.197 1.00 0.00 C ATOM 167 OG1 THR A 26 1.561 4.929 -6.247 1.00 0.00 O ATOM 168 CG2 THR A 26 1.642 6.643 -4.618 1.00 0.00 C ATOM 0 H THR A 26 -1.343 3.688 -4.991 1.00 0.00 H new ATOM 0 HA THR A 26 1.319 4.019 -3.751 1.00 0.00 H new ATOM 0 HB THR A 26 -0.127 5.930 -5.564 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.806 5.618 -6.899 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.890 7.354 -5.406 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.073 7.150 -3.838 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.560 6.238 -4.192 1.00 0.00 H new ATOM 176 N LEU A 27 -0.005 4.812 -1.795 1.00 0.00 N ATOM 177 CA LEU A 27 -0.699 5.361 -0.635 1.00 0.00 C ATOM 178 C LEU A 27 0.058 6.542 -0.039 1.00 0.00 C ATOM 179 O LEU A 27 1.211 6.797 -0.390 1.00 0.00 O ATOM 180 CB LEU A 27 -0.891 4.278 0.427 1.00 0.00 C ATOM 181 CG LEU A 27 -1.450 2.952 -0.095 1.00 0.00 C ATOM 182 CD1 LEU A 27 -0.325 1.957 -0.339 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.468 2.380 0.880 1.00 0.00 C ATOM 0 H LEU A 27 0.772 4.191 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.673 5.717 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.069 4.087 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.562 4.660 1.197 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.953 3.141 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.742 1.020 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.367 2.364 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.207 1.773 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.854 1.438 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.991 2.207 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.290 3.085 1.003 1.00 0.00 H new ATOM 195 N TYR A 28 -0.601 7.259 0.865 1.00 0.00 N ATOM 196 CA TYR A 28 0.003 8.414 1.518 1.00 0.00 C ATOM 197 C TYR A 28 -0.050 8.266 3.035 1.00 0.00 C ATOM 198 O TYR A 28 -1.014 7.733 3.583 1.00 0.00 O ATOM 199 CB TYR A 28 -0.713 9.698 1.092 1.00 0.00 C ATOM 200 CG TYR A 28 -0.989 9.775 -0.392 1.00 0.00 C ATOM 201 CD1 TYR A 28 -2.006 9.025 -0.968 1.00 0.00 C ATOM 202 CD2 TYR A 28 -0.234 10.599 -1.218 1.00 0.00 C ATOM 203 CE1 TYR A 28 -2.263 9.091 -2.324 1.00 0.00 C ATOM 204 CE2 TYR A 28 -0.485 10.673 -2.575 1.00 0.00 C ATOM 205 CZ TYR A 28 -1.499 9.917 -3.123 1.00 0.00 C ATOM 206 OH TYR A 28 -1.752 9.987 -4.473 1.00 0.00 O ATOM 0 H TYR A 28 -1.556 7.060 1.163 1.00 0.00 H new ATOM 0 HA TYR A 28 1.048 8.471 1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.656 9.774 1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.108 10.556 1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.607 8.379 -0.345 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.562 11.192 -0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.057 8.500 -2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.110 11.320 -3.203 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.126 10.615 -4.891 1.00 0.00 H new ATOM 216 N LYS A 29 0.993 8.740 3.710 1.00 0.00 N ATOM 217 CA LYS A 29 1.063 8.656 5.164 1.00 0.00 C ATOM 218 C LYS A 29 0.793 10.012 5.806 1.00 0.00 C ATOM 219 O LYS A 29 0.924 11.054 5.163 1.00 0.00 O ATOM 220 CB LYS A 29 2.436 8.137 5.600 1.00 0.00 C ATOM 221 CG LYS A 29 2.372 7.124 6.732 1.00 0.00 C ATOM 222 CD LYS A 29 3.743 6.883 7.343 1.00 0.00 C ATOM 223 CE LYS A 29 3.986 7.784 8.542 1.00 0.00 C ATOM 224 NZ LYS A 29 4.867 7.138 9.553 1.00 0.00 N ATOM 0 H LYS A 29 1.800 9.186 3.273 1.00 0.00 H new ATOM 0 HA LYS A 29 0.294 7.959 5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.932 7.681 4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.052 8.980 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.687 7.480 7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.969 6.183 6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.828 5.840 7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.513 7.060 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.440 8.717 8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.032 8.040 9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.008 7.785 10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.423 6.260 9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.787 6.916 9.121 1.00 0.00 H new ATOM 238 N ASP A 30 0.414 9.991 7.080 1.00 0.00 N ATOM 239 CA ASP A 30 0.127 11.218 7.815 1.00 0.00 C ATOM 240 C ASP A 30 0.869 11.241 9.147 1.00 0.00 C ATOM 241 O ASP A 30 0.983 10.219 9.821 1.00 0.00 O ATOM 242 CB ASP A 30 -1.378 11.355 8.053 1.00 0.00 C ATOM 243 CG ASP A 30 -1.764 12.741 8.532 1.00 0.00 C ATOM 244 OD1 ASP A 30 -1.830 13.662 7.693 1.00 0.00 O ATOM 245 OD2 ASP A 30 -1.999 12.904 9.749 1.00 0.00 O ATOM 0 H ASP A 30 0.298 9.137 7.625 1.00 0.00 H new ATOM 0 HA ASP A 30 0.471 12.060 7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.911 11.131 7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.695 10.617 8.790 1.00 0.00 H new ATOM 250 N SER A 31 1.372 12.414 9.519 1.00 0.00 N ATOM 251 CA SER A 31 2.103 12.571 10.771 1.00 0.00 C ATOM 252 C SER A 31 1.244 12.159 11.963 1.00 0.00 C ATOM 253 O SER A 31 1.760 11.717 12.990 1.00 0.00 O ATOM 254 CB SER A 31 2.566 14.019 10.938 1.00 0.00 C ATOM 255 OG SER A 31 1.460 14.902 11.010 1.00 0.00 O ATOM 0 H SER A 31 1.287 13.270 8.971 1.00 0.00 H new ATOM 0 HA SER A 31 2.976 11.919 10.735 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.168 14.110 11.842 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.205 14.299 10.101 1.00 0.00 H new ATOM 0 HG SER A 31 1.782 15.821 11.118 1.00 0.00 H new ATOM 261 N GLY A 32 -0.068 12.308 11.821 1.00 0.00 N ATOM 262 CA GLY A 32 -0.976 11.947 12.893 1.00 0.00 C ATOM 263 C GLY A 32 -1.367 10.481 12.860 1.00 0.00 C ATOM 264 O GLY A 32 -1.771 9.918 13.879 1.00 0.00 O ATOM 0 H GLY A 32 -0.519 12.673 10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.508 12.173 13.851 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.875 12.560 12.825 1.00 0.00 H new ATOM 268 N MET A 33 -1.248 9.862 11.690 1.00 0.00 N ATOM 269 CA MET A 33 -1.593 8.453 11.533 1.00 0.00 C ATOM 270 C MET A 33 -0.458 7.557 12.014 1.00 0.00 C ATOM 271 O MET A 33 0.682 8.002 12.156 1.00 0.00 O ATOM 272 CB MET A 33 -1.916 8.146 10.069 1.00 0.00 C ATOM 273 CG MET A 33 -3.379 8.348 9.713 1.00 0.00 C ATOM 274 SD MET A 33 -4.383 6.889 10.050 1.00 0.00 S ATOM 275 CE MET A 33 -4.048 5.902 8.593 1.00 0.00 C ATOM 0 H MET A 33 -0.916 10.313 10.837 1.00 0.00 H new ATOM 0 HA MET A 33 -2.473 8.251 12.143 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.304 8.782 9.430 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.637 7.115 9.853 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.773 9.194 10.277 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.460 8.604 8.657 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.959 5.390 8.283 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.703 6.549 7.786 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.278 5.166 8.822 1.00 0.00 H new ATOM 285 N GLU A 34 -0.777 6.290 12.261 1.00 0.00 N ATOM 286 CA GLU A 34 0.217 5.328 12.726 1.00 0.00 C ATOM 287 C GLU A 34 0.578 4.328 11.629 1.00 0.00 C ATOM 288 O GLU A 34 1.533 3.564 11.764 1.00 0.00 O ATOM 289 CB GLU A 34 -0.300 4.584 13.959 1.00 0.00 C ATOM 290 CG GLU A 34 0.768 4.333 15.011 1.00 0.00 C ATOM 291 CD GLU A 34 1.473 3.005 14.822 1.00 0.00 C ATOM 292 OE1 GLU A 34 0.885 1.964 15.188 1.00 0.00 O ATOM 293 OE2 GLU A 34 2.612 3.002 14.309 1.00 0.00 O ATOM 0 H GLU A 34 -1.715 5.906 12.147 1.00 0.00 H new ATOM 0 HA GLU A 34 1.117 5.882 12.992 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.111 5.159 14.406 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.722 3.629 13.646 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.502 5.138 14.977 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.311 4.360 16.000 1.00 0.00 H new ATOM 300 N ASP A 35 -0.191 4.339 10.544 1.00 0.00 N ATOM 301 CA ASP A 35 0.053 3.431 9.428 1.00 0.00 C ATOM 302 C ASP A 35 -0.516 4.001 8.131 1.00 0.00 C ATOM 303 O ASP A 35 -0.872 5.178 8.060 1.00 0.00 O ATOM 304 CB ASP A 35 -0.562 2.060 9.716 1.00 0.00 C ATOM 305 CG ASP A 35 0.466 0.946 9.680 1.00 0.00 C ATOM 306 OD1 ASP A 35 1.506 1.120 9.009 1.00 0.00 O ATOM 307 OD2 ASP A 35 0.233 -0.099 10.322 1.00 0.00 O ATOM 0 H ASP A 35 -0.986 4.965 10.414 1.00 0.00 H new ATOM 0 HA ASP A 35 1.131 3.317 9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.040 2.078 10.695 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.343 1.854 8.984 1.00 0.00 H new ATOM 312 N PHE A 36 -0.597 3.159 7.104 1.00 0.00 N ATOM 313 CA PHE A 36 -1.119 3.580 5.809 1.00 0.00 C ATOM 314 C PHE A 36 -2.589 3.201 5.657 1.00 0.00 C ATOM 315 O PHE A 36 -3.052 2.901 4.557 1.00 0.00 O ATOM 316 CB PHE A 36 -0.286 2.978 4.677 1.00 0.00 C ATOM 317 CG PHE A 36 0.826 3.885 4.226 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.604 4.842 3.248 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.089 3.789 4.789 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.622 5.685 2.838 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.111 4.629 4.384 1.00 0.00 C ATOM 322 CZ PHE A 36 2.876 5.578 3.407 1.00 0.00 C ATOM 0 H PHE A 36 -0.308 2.182 7.144 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.048 4.666 5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.137 2.029 5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.936 2.759 3.830 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.375 4.931 2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.278 3.049 5.553 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.436 6.426 2.074 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.091 4.543 4.830 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.672 6.235 3.089 1.00 0.00 H new ATOM 332 N GLY A 37 -3.321 3.215 6.773 1.00 0.00 N ATOM 333 CA GLY A 37 -4.734 2.870 6.742 1.00 0.00 C ATOM 334 C GLY A 37 -4.993 1.586 5.983 1.00 0.00 C ATOM 335 O GLY A 37 -5.948 1.487 5.215 1.00 0.00 O ATOM 0 H GLY A 37 -2.960 3.459 7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.104 2.768 7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.295 3.683 6.280 1.00 0.00 H new ATOM 339 N PHE A 38 -4.118 0.609 6.188 1.00 0.00 N ATOM 340 CA PHE A 38 -4.224 -0.674 5.515 1.00 0.00 C ATOM 341 C PHE A 38 -3.155 -1.629 6.055 1.00 0.00 C ATOM 342 O PHE A 38 -1.960 -1.360 5.932 1.00 0.00 O ATOM 343 CB PHE A 38 -4.101 -0.451 4.002 1.00 0.00 C ATOM 344 CG PHE A 38 -2.794 -0.852 3.382 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.485 -2.187 3.192 1.00 0.00 C ATOM 346 CD2 PHE A 38 -1.891 0.109 2.963 1.00 0.00 C ATOM 347 CE1 PHE A 38 -1.300 -2.556 2.591 1.00 0.00 C ATOM 348 CE2 PHE A 38 -0.701 -0.251 2.368 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.405 -1.589 2.180 1.00 0.00 C ATOM 0 H PHE A 38 -3.322 0.685 6.821 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.193 -1.135 5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.900 -1.003 3.507 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.269 0.606 3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.179 -2.948 3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.122 1.155 3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.072 -3.601 2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.002 0.509 2.050 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.525 -1.877 1.712 1.00 0.00 H new ATOM 359 N SER A 39 -3.583 -2.723 6.692 1.00 0.00 N ATOM 360 CA SER A 39 -2.641 -3.672 7.281 1.00 0.00 C ATOM 361 C SER A 39 -2.525 -4.950 6.461 1.00 0.00 C ATOM 362 O SER A 39 -3.443 -5.323 5.732 1.00 0.00 O ATOM 363 CB SER A 39 -3.064 -4.011 8.711 1.00 0.00 C ATOM 364 OG SER A 39 -4.468 -3.919 8.862 1.00 0.00 O ATOM 0 H SER A 39 -4.566 -2.970 6.811 1.00 0.00 H new ATOM 0 HA SER A 39 -1.661 -3.195 7.289 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.733 -5.019 8.962 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.575 -3.332 9.409 1.00 0.00 H new ATOM 0 HG SER A 39 -4.713 -4.142 9.784 1.00 0.00 H new ATOM 370 N VAL A 40 -1.379 -5.616 6.601 1.00 0.00 N ATOM 371 CA VAL A 40 -1.111 -6.859 5.890 1.00 0.00 C ATOM 372 C VAL A 40 -0.950 -8.024 6.863 1.00 0.00 C ATOM 373 O VAL A 40 -0.871 -7.824 8.076 1.00 0.00 O ATOM 374 CB VAL A 40 0.157 -6.738 5.027 1.00 0.00 C ATOM 375 CG1 VAL A 40 -0.011 -5.643 3.985 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.377 -6.470 5.897 1.00 0.00 C ATOM 0 H VAL A 40 -0.618 -5.309 7.206 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.966 -7.052 5.242 1.00 0.00 H new ATOM 0 HB VAL A 40 0.311 -7.685 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.895 -5.571 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.857 -5.881 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.192 -4.691 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.262 -6.388 5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.235 -5.539 6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.508 -7.291 6.602 1.00 0.00 H new ATOM 386 N ALA A 41 -0.910 -9.240 6.328 1.00 0.00 N ATOM 387 CA ALA A 41 -0.766 -10.434 7.152 1.00 0.00 C ATOM 388 C ALA A 41 0.356 -11.331 6.639 1.00 0.00 C ATOM 389 O ALA A 41 0.968 -11.050 5.610 1.00 0.00 O ATOM 390 CB ALA A 41 -2.078 -11.205 7.192 1.00 0.00 C ATOM 0 H ALA A 41 -0.975 -9.424 5.327 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.506 -10.116 8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.958 -12.095 7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.859 -10.572 7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.357 -11.501 6.181 1.00 0.00 H new ATOM 396 N ASP A 42 0.614 -12.416 7.362 1.00 0.00 N ATOM 397 CA ASP A 42 1.656 -13.361 6.980 1.00 0.00 C ATOM 398 C ASP A 42 1.125 -14.372 5.972 1.00 0.00 C ATOM 399 O ASP A 42 -0.013 -14.830 6.077 1.00 0.00 O ATOM 400 CB ASP A 42 2.197 -14.084 8.216 1.00 0.00 C ATOM 401 CG ASP A 42 3.579 -13.603 8.610 1.00 0.00 C ATOM 402 OD1 ASP A 42 4.323 -13.138 7.721 1.00 0.00 O ATOM 403 OD2 ASP A 42 3.919 -13.691 9.809 1.00 0.00 O ATOM 0 H ASP A 42 0.115 -12.662 8.217 1.00 0.00 H new ATOM 0 HA ASP A 42 2.468 -12.803 6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.512 -13.933 9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.231 -15.156 8.021 1.00 0.00 H new ATOM 408 N GLY A 43 1.953 -14.715 4.991 1.00 0.00 N ATOM 409 CA GLY A 43 1.547 -15.666 3.975 1.00 0.00 C ATOM 410 C GLY A 43 2.289 -16.983 4.083 1.00 0.00 C ATOM 411 O GLY A 43 3.452 -17.082 3.691 1.00 0.00 O ATOM 0 H GLY A 43 2.899 -14.350 4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.476 -15.848 4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.720 -15.235 2.989 1.00 0.00 H new ATOM 415 N LEU A 44 1.615 -17.998 4.612 1.00 0.00 N ATOM 416 CA LEU A 44 2.218 -19.316 4.766 1.00 0.00 C ATOM 417 C LEU A 44 1.889 -20.204 3.575 1.00 0.00 C ATOM 418 O LEU A 44 2.677 -21.067 3.186 1.00 0.00 O ATOM 419 CB LEU A 44 1.739 -19.978 6.060 1.00 0.00 C ATOM 420 CG LEU A 44 2.521 -19.588 7.316 1.00 0.00 C ATOM 421 CD1 LEU A 44 1.782 -18.510 8.093 1.00 0.00 C ATOM 422 CD2 LEU A 44 2.765 -20.808 8.194 1.00 0.00 C ATOM 0 H LEU A 44 0.652 -17.933 4.941 1.00 0.00 H new ATOM 0 HA LEU A 44 3.299 -19.188 4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.689 -19.727 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.793 -21.060 5.938 1.00 0.00 H new ATOM 0 HG LEU A 44 3.487 -19.187 7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.354 -18.246 8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.660 -17.628 7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.801 -18.883 8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.322 -20.511 9.082 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.809 -21.239 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.338 -21.549 7.637 1.00 0.00 H new ATOM 434 N LEU A 45 0.719 -19.980 3.003 1.00 0.00 N ATOM 435 CA LEU A 45 0.264 -20.748 1.850 1.00 0.00 C ATOM 436 C LEU A 45 0.813 -20.176 0.544 1.00 0.00 C ATOM 437 O LEU A 45 0.589 -20.736 -0.528 1.00 0.00 O ATOM 438 CB LEU A 45 -1.264 -20.778 1.803 1.00 0.00 C ATOM 439 CG LEU A 45 -1.933 -19.417 1.988 1.00 0.00 C ATOM 440 CD1 LEU A 45 -2.854 -19.106 0.818 1.00 0.00 C ATOM 441 CD2 LEU A 45 -2.701 -19.369 3.302 1.00 0.00 C ATOM 0 H LEU A 45 0.060 -19.268 3.319 1.00 0.00 H new ATOM 0 HA LEU A 45 0.642 -21.764 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.577 -21.195 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.625 -21.454 2.578 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.153 -18.657 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.320 -18.132 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.276 -19.091 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.627 -19.871 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.170 -18.391 3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.469 -20.142 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.014 -19.539 4.131 1.00 0.00 H new ATOM 453 N GLU A 46 1.529 -19.057 0.636 1.00 0.00 N ATOM 454 CA GLU A 46 2.100 -18.419 -0.547 1.00 0.00 C ATOM 455 C GLU A 46 3.349 -17.617 -0.190 1.00 0.00 C ATOM 456 O GLU A 46 3.689 -16.654 -0.877 1.00 0.00 O ATOM 457 CB GLU A 46 1.069 -17.503 -1.212 1.00 0.00 C ATOM 458 CG GLU A 46 -0.343 -18.066 -1.216 1.00 0.00 C ATOM 459 CD GLU A 46 -1.316 -17.193 -1.984 1.00 0.00 C ATOM 460 OE1 GLU A 46 -0.882 -16.525 -2.946 1.00 0.00 O ATOM 461 OE2 GLU A 46 -2.512 -17.176 -1.624 1.00 0.00 O ATOM 0 H GLU A 46 1.727 -18.576 1.513 1.00 0.00 H new ATOM 0 HA GLU A 46 2.382 -19.206 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.065 -16.542 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.377 -17.312 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.331 -19.064 -1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.690 -18.174 -0.188 1.00 0.00 H new ATOM 468 N LYS A 47 4.029 -18.032 0.884 1.00 0.00 N ATOM 469 CA LYS A 47 5.253 -17.373 1.359 1.00 0.00 C ATOM 470 C LYS A 47 5.305 -15.891 0.978 1.00 0.00 C ATOM 471 O LYS A 47 5.727 -15.537 -0.123 1.00 0.00 O ATOM 472 CB LYS A 47 6.483 -18.095 0.802 1.00 0.00 C ATOM 473 CG LYS A 47 7.418 -18.619 1.881 1.00 0.00 C ATOM 474 CD LYS A 47 8.875 -18.404 1.506 1.00 0.00 C ATOM 475 CE LYS A 47 9.351 -17.012 1.894 1.00 0.00 C ATOM 476 NZ LYS A 47 10.128 -17.025 3.163 1.00 0.00 N ATOM 0 H LYS A 47 3.748 -18.833 1.449 1.00 0.00 H new ATOM 0 HA LYS A 47 5.248 -17.429 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.155 -18.928 0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.034 -17.412 0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.206 -18.116 2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.234 -19.682 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.494 -19.152 2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.000 -18.547 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.969 -16.604 1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.491 -16.351 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.434 -16.058 3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.531 -17.391 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.963 -17.635 3.053 1.00 0.00 H new ATOM 490 N GLY A 48 4.880 -15.035 1.901 1.00 0.00 N ATOM 491 CA GLY A 48 4.890 -13.603 1.647 1.00 0.00 C ATOM 492 C GLY A 48 3.954 -12.845 2.569 1.00 0.00 C ATOM 493 O GLY A 48 3.642 -13.308 3.665 1.00 0.00 O ATOM 0 H GLY A 48 4.529 -15.305 2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.904 -13.222 1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.604 -13.419 0.612 1.00 0.00 H new ATOM 497 N VAL A 49 3.507 -11.675 2.124 1.00 0.00 N ATOM 498 CA VAL A 49 2.602 -10.851 2.917 1.00 0.00 C ATOM 499 C VAL A 49 1.557 -10.179 2.033 1.00 0.00 C ATOM 500 O VAL A 49 1.871 -9.687 0.948 1.00 0.00 O ATOM 501 CB VAL A 49 3.369 -9.770 3.706 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.413 -8.902 4.513 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.405 -10.409 4.614 1.00 0.00 C ATOM 0 H VAL A 49 3.757 -11.276 1.219 1.00 0.00 H new ATOM 0 HA VAL A 49 2.103 -11.516 3.623 1.00 0.00 H new ATOM 0 HB VAL A 49 3.883 -9.129 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.979 -8.148 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.711 -8.411 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.863 -9.525 5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.937 -9.632 5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.909 -11.076 5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.114 -10.978 4.013 1.00 0.00 H new ATOM 513 N TYR A 50 0.314 -10.160 2.504 1.00 0.00 N ATOM 514 CA TYR A 50 -0.777 -9.545 1.758 1.00 0.00 C ATOM 515 C TYR A 50 -1.623 -8.674 2.676 1.00 0.00 C ATOM 516 O TYR A 50 -1.529 -8.774 3.897 1.00 0.00 O ATOM 517 CB TYR A 50 -1.663 -10.605 1.090 1.00 0.00 C ATOM 518 CG TYR A 50 -1.117 -12.011 1.167 1.00 0.00 C ATOM 519 CD1 TYR A 50 0.118 -12.325 0.621 1.00 0.00 C ATOM 520 CD2 TYR A 50 -1.840 -13.024 1.783 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.622 -13.607 0.685 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.345 -14.310 1.852 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.113 -14.599 1.302 1.00 0.00 C ATOM 524 OH TYR A 50 0.385 -15.882 1.364 1.00 0.00 O ATOM 0 H TYR A 50 0.038 -10.564 3.399 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.335 -8.925 0.978 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.648 -10.584 1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.801 -10.338 0.042 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.696 -11.552 0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.805 -12.802 2.215 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.586 -13.834 0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.919 -15.087 2.334 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.254 -16.459 1.832 1.00 0.00 H new ATOM 534 N VAL A 51 -2.450 -7.826 2.084 1.00 0.00 N ATOM 535 CA VAL A 51 -3.309 -6.946 2.857 1.00 0.00 C ATOM 536 C VAL A 51 -4.310 -7.755 3.675 1.00 0.00 C ATOM 537 O VAL A 51 -4.528 -8.938 3.409 1.00 0.00 O ATOM 538 CB VAL A 51 -4.066 -5.958 1.949 1.00 0.00 C ATOM 539 CG1 VAL A 51 -4.638 -4.809 2.762 1.00 0.00 C ATOM 540 CG2 VAL A 51 -3.157 -5.432 0.848 1.00 0.00 C ATOM 0 H VAL A 51 -2.544 -7.729 1.073 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.669 -6.376 3.530 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.894 -6.493 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.168 -4.124 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.329 -5.200 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.828 -4.277 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.712 -4.736 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.306 -4.918 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.801 -6.265 0.241 1.00 0.00 H new ATOM 550 N LYS A 52 -4.907 -7.119 4.677 1.00 0.00 N ATOM 551 CA LYS A 52 -5.873 -7.794 5.536 1.00 0.00 C ATOM 552 C LYS A 52 -6.978 -6.845 5.979 1.00 0.00 C ATOM 553 O LYS A 52 -8.141 -7.233 6.090 1.00 0.00 O ATOM 554 CB LYS A 52 -5.172 -8.371 6.767 1.00 0.00 C ATOM 555 CG LYS A 52 -4.319 -7.361 7.520 1.00 0.00 C ATOM 556 CD LYS A 52 -4.279 -7.666 9.010 1.00 0.00 C ATOM 557 CE LYS A 52 -3.722 -9.053 9.286 1.00 0.00 C ATOM 558 NZ LYS A 52 -4.545 -9.797 10.278 1.00 0.00 N ATOM 0 H LYS A 52 -4.740 -6.141 4.914 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.323 -8.602 4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.924 -8.775 7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.542 -9.205 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.306 -7.368 7.119 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.717 -6.358 7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.667 -6.921 9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.284 -7.589 9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.678 -9.618 8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.700 -8.966 9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.130 -10.737 10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.566 -9.271 11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.514 -9.903 9.916 1.00 0.00 H new ATOM 572 N ASN A 53 -6.600 -5.606 6.227 1.00 0.00 N ATOM 573 CA ASN A 53 -7.547 -4.586 6.657 1.00 0.00 C ATOM 574 C ASN A 53 -7.235 -3.258 5.984 1.00 0.00 C ATOM 575 O ASN A 53 -6.075 -2.940 5.736 1.00 0.00 O ATOM 576 CB ASN A 53 -7.503 -4.427 8.178 1.00 0.00 C ATOM 577 CG ASN A 53 -8.562 -5.258 8.876 1.00 0.00 C ATOM 578 OD1 ASN A 53 -8.388 -6.575 8.857 1.00 0.00 O flip ATOM 579 ND2 ASN A 53 -9.523 -4.723 9.428 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.639 -5.276 6.138 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.549 -4.900 6.366 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.518 -4.718 8.543 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.641 -3.377 8.435 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.617 -3.707 9.418 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.226 -5.295 9.896 1.00 0.00 H new ATOM 586 N ILE A 54 -8.277 -2.496 5.677 1.00 0.00 N ATOM 587 CA ILE A 54 -8.114 -1.209 5.021 1.00 0.00 C ATOM 588 C ILE A 54 -8.986 -0.147 5.682 1.00 0.00 C ATOM 589 O ILE A 54 -10.210 -0.265 5.708 1.00 0.00 O ATOM 590 CB ILE A 54 -8.490 -1.311 3.536 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.830 -2.539 2.893 1.00 0.00 C ATOM 592 CG2 ILE A 54 -8.122 -0.030 2.799 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.375 -2.354 2.507 1.00 0.00 C ATOM 0 H ILE A 54 -9.245 -2.749 5.873 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.067 -0.921 5.114 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.570 -1.438 3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.903 -3.377 3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.395 -2.812 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.397 -0.123 1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.657 0.811 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.048 0.141 2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.997 -3.274 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.290 -1.540 1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.791 -2.114 3.395 1.00 0.00 H new ATOM 605 N ARG A 55 -8.352 0.892 6.214 1.00 0.00 N ATOM 606 CA ARG A 55 -9.078 1.972 6.873 1.00 0.00 C ATOM 607 C ARG A 55 -9.945 2.731 5.870 1.00 0.00 C ATOM 608 O ARG A 55 -9.478 3.103 4.794 1.00 0.00 O ATOM 609 CB ARG A 55 -8.101 2.934 7.553 1.00 0.00 C ATOM 610 CG ARG A 55 -7.673 2.484 8.943 1.00 0.00 C ATOM 611 CD ARG A 55 -7.967 3.544 9.994 1.00 0.00 C ATOM 612 NE ARG A 55 -9.073 3.157 10.868 1.00 0.00 N ATOM 613 CZ ARG A 55 -9.298 3.699 12.062 1.00 0.00 C ATOM 614 NH1 ARG A 55 -8.500 4.651 12.529 1.00 0.00 N ATOM 615 NH2 ARG A 55 -10.326 3.289 12.793 1.00 0.00 N ATOM 0 H ARG A 55 -7.339 1.009 6.202 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.727 1.533 7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.216 3.043 6.927 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.564 3.918 7.625 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.192 1.561 9.202 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.606 2.260 8.940 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.074 3.717 10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.207 4.486 9.501 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.709 2.429 10.543 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.708 4.972 11.972 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.678 5.062 13.445 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.944 2.558 12.440 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.499 3.704 13.708 1.00 0.00 H new ATOM 629 N PRO A 56 -11.227 2.971 6.206 1.00 0.00 N ATOM 630 CA PRO A 56 -12.152 3.686 5.322 1.00 0.00 C ATOM 631 C PRO A 56 -11.869 5.184 5.272 1.00 0.00 C ATOM 632 O PRO A 56 -11.890 5.862 6.300 1.00 0.00 O ATOM 633 CB PRO A 56 -13.517 3.421 5.955 1.00 0.00 C ATOM 634 CG PRO A 56 -13.226 3.221 7.401 1.00 0.00 C ATOM 635 CD PRO A 56 -11.875 2.562 7.468 1.00 0.00 C ATOM 0 HA PRO A 56 -12.071 3.349 4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.196 4.259 5.799 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.992 2.541 5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.222 4.172 7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.987 2.597 7.869 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.308 2.897 8.337 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.961 1.478 7.542 1.00 0.00 H new ATOM 643 N ALA A 57 -11.605 5.691 4.065 1.00 0.00 N ATOM 644 CA ALA A 57 -11.315 7.112 3.852 1.00 0.00 C ATOM 645 C ALA A 57 -9.828 7.417 4.020 1.00 0.00 C ATOM 646 O ALA A 57 -9.338 8.431 3.523 1.00 0.00 O ATOM 647 CB ALA A 57 -12.146 7.991 4.782 1.00 0.00 C ATOM 0 H ALA A 57 -11.586 5.132 3.212 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.590 7.342 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.909 9.039 4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.206 7.821 4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.918 7.742 5.818 1.00 0.00 H new ATOM 653 N GLY A 58 -9.113 6.540 4.719 1.00 0.00 N ATOM 654 CA GLY A 58 -7.693 6.746 4.930 1.00 0.00 C ATOM 655 C GLY A 58 -6.872 6.423 3.696 1.00 0.00 C ATOM 656 O GLY A 58 -7.429 6.197 2.621 1.00 0.00 O ATOM 0 H GLY A 58 -9.492 5.692 5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.518 7.782 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.358 6.123 5.759 1.00 0.00 H new ATOM 660 N PRO A 59 -5.534 6.391 3.820 1.00 0.00 N ATOM 661 CA PRO A 59 -4.645 6.090 2.694 1.00 0.00 C ATOM 662 C PRO A 59 -5.035 4.800 1.979 1.00 0.00 C ATOM 663 O PRO A 59 -4.751 4.625 0.794 1.00 0.00 O ATOM 664 CB PRO A 59 -3.272 5.941 3.354 1.00 0.00 C ATOM 665 CG PRO A 59 -3.360 6.755 4.598 1.00 0.00 C ATOM 666 CD PRO A 59 -4.786 6.646 5.064 1.00 0.00 C ATOM 0 HA PRO A 59 -4.682 6.864 1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.052 4.897 3.578 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.477 6.301 2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.672 6.383 5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.091 7.793 4.405 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.913 5.836 5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.120 7.561 5.553 1.00 0.00 H new ATOM 674 N GLY A 60 -5.691 3.902 2.707 1.00 0.00 N ATOM 675 CA GLY A 60 -6.112 2.640 2.126 1.00 0.00 C ATOM 676 C GLY A 60 -7.154 2.824 1.039 1.00 0.00 C ATOM 677 O GLY A 60 -7.053 2.229 -0.033 1.00 0.00 O ATOM 0 H GLY A 60 -5.939 4.026 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.245 2.127 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.517 1.999 2.909 1.00 0.00 H new ATOM 681 N ASP A 61 -8.153 3.655 1.316 1.00 0.00 N ATOM 682 CA ASP A 61 -9.212 3.923 0.352 1.00 0.00 C ATOM 683 C ASP A 61 -8.693 4.812 -0.769 1.00 0.00 C ATOM 684 O ASP A 61 -9.122 4.698 -1.918 1.00 0.00 O ATOM 685 CB ASP A 61 -10.405 4.588 1.040 1.00 0.00 C ATOM 686 CG ASP A 61 -11.564 4.821 0.090 1.00 0.00 C ATOM 687 OD1 ASP A 61 -11.607 5.899 -0.541 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.428 3.927 -0.023 1.00 0.00 O ATOM 0 H ASP A 61 -8.251 4.154 2.200 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.539 2.974 -0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.738 3.963 1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.091 5.541 1.466 1.00 0.00 H new ATOM 693 N LEU A 62 -7.767 5.699 -0.424 1.00 0.00 N ATOM 694 CA LEU A 62 -7.184 6.611 -1.396 1.00 0.00 C ATOM 695 C LEU A 62 -6.448 5.842 -2.487 1.00 0.00 C ATOM 696 O LEU A 62 -6.488 6.217 -3.660 1.00 0.00 O ATOM 697 CB LEU A 62 -6.229 7.587 -0.705 1.00 0.00 C ATOM 698 CG LEU A 62 -6.863 8.449 0.387 1.00 0.00 C ATOM 699 CD1 LEU A 62 -5.789 9.173 1.186 1.00 0.00 C ATOM 700 CD2 LEU A 62 -7.840 9.443 -0.220 1.00 0.00 C ATOM 0 H LEU A 62 -7.404 5.805 0.524 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.993 7.176 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.408 7.019 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.796 8.244 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.414 7.797 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.259 9.782 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.127 8.443 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.211 9.814 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.282 10.048 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.312 10.090 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.627 8.904 -0.747 1.00 0.00 H new ATOM 712 N GLY A 63 -5.778 4.763 -2.095 1.00 0.00 N ATOM 713 CA GLY A 63 -5.045 3.957 -3.052 1.00 0.00 C ATOM 714 C GLY A 63 -5.952 3.044 -3.852 1.00 0.00 C ATOM 715 O GLY A 63 -5.908 3.037 -5.082 1.00 0.00 O ATOM 0 H GLY A 63 -5.730 4.433 -1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.501 4.611 -3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.303 3.357 -2.525 1.00 0.00 H new ATOM 719 N GLY A 64 -6.780 2.275 -3.153 1.00 0.00 N ATOM 720 CA GLY A 64 -7.693 1.368 -3.822 1.00 0.00 C ATOM 721 C GLY A 64 -7.205 -0.067 -3.806 1.00 0.00 C ATOM 722 O GLY A 64 -7.256 -0.757 -4.825 1.00 0.00 O ATOM 0 H GLY A 64 -6.835 2.264 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.670 1.421 -3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.828 1.690 -4.854 1.00 0.00 H new ATOM 726 N LEU A 65 -6.731 -0.521 -2.650 1.00 0.00 N ATOM 727 CA LEU A 65 -6.235 -1.885 -2.511 1.00 0.00 C ATOM 728 C LEU A 65 -7.155 -2.711 -1.617 1.00 0.00 C ATOM 729 O LEU A 65 -7.454 -2.322 -0.488 1.00 0.00 O ATOM 730 CB LEU A 65 -4.814 -1.880 -1.941 1.00 0.00 C ATOM 731 CG LEU A 65 -4.610 -1.005 -0.703 1.00 0.00 C ATOM 732 CD1 LEU A 65 -4.044 -1.826 0.447 1.00 0.00 C ATOM 733 CD2 LEU A 65 -3.695 0.167 -1.022 1.00 0.00 C ATOM 0 H LEU A 65 -6.680 0.036 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.218 -2.341 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.537 -2.904 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.129 -1.545 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.580 -0.612 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.906 -1.185 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.736 -2.631 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.084 -2.250 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.562 0.778 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.726 -0.207 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.140 0.772 -1.812 1.00 0.00 H new ATOM 745 N LYS A 66 -7.602 -3.855 -2.131 1.00 0.00 N ATOM 746 CA LYS A 66 -8.490 -4.736 -1.379 1.00 0.00 C ATOM 747 C LYS A 66 -7.724 -5.495 -0.295 1.00 0.00 C ATOM 748 O LYS A 66 -6.495 -5.549 -0.312 1.00 0.00 O ATOM 749 CB LYS A 66 -9.175 -5.727 -2.323 1.00 0.00 C ATOM 750 CG LYS A 66 -10.559 -5.283 -2.772 1.00 0.00 C ATOM 751 CD LYS A 66 -11.479 -6.472 -2.993 1.00 0.00 C ATOM 752 CE LYS A 66 -12.584 -6.148 -3.987 1.00 0.00 C ATOM 753 NZ LYS A 66 -12.327 -6.760 -5.320 1.00 0.00 N ATOM 0 H LYS A 66 -7.364 -4.192 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.247 -4.118 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.547 -5.873 -3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.256 -6.693 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.991 -4.621 -2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.477 -4.708 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.898 -7.319 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.920 -6.773 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.538 -6.507 -3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.671 -5.067 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.225 -6.862 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.684 -6.150 -5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.892 -7.696 -5.194 1.00 0.00 H new ATOM 767 N PRO A 67 -8.449 -6.093 0.668 1.00 0.00 N ATOM 768 CA PRO A 67 -7.839 -6.851 1.766 1.00 0.00 C ATOM 769 C PRO A 67 -7.274 -8.191 1.303 1.00 0.00 C ATOM 770 O PRO A 67 -7.745 -9.252 1.712 1.00 0.00 O ATOM 771 CB PRO A 67 -9.003 -7.067 2.733 1.00 0.00 C ATOM 772 CG PRO A 67 -10.216 -7.047 1.872 1.00 0.00 C ATOM 773 CD PRO A 67 -9.922 -6.075 0.761 1.00 0.00 C ATOM 0 HA PRO A 67 -6.992 -6.324 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.908 -8.015 3.262 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.041 -6.283 3.489 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.429 -8.040 1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.093 -6.736 2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.387 -6.383 -0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.298 -5.078 0.990 1.00 0.00 H new ATOM 781 N TYR A 68 -6.259 -8.130 0.448 1.00 0.00 N ATOM 782 CA TYR A 68 -5.617 -9.330 -0.076 1.00 0.00 C ATOM 783 C TYR A 68 -4.422 -8.984 -0.967 1.00 0.00 C ATOM 784 O TYR A 68 -3.502 -9.785 -1.118 1.00 0.00 O ATOM 785 CB TYR A 68 -6.626 -10.176 -0.854 1.00 0.00 C ATOM 786 CG TYR A 68 -6.762 -11.592 -0.343 1.00 0.00 C ATOM 787 CD1 TYR A 68 -6.682 -11.874 1.016 1.00 0.00 C ATOM 788 CD2 TYR A 68 -6.971 -12.646 -1.220 1.00 0.00 C ATOM 789 CE1 TYR A 68 -6.808 -13.168 1.484 1.00 0.00 C ATOM 790 CE2 TYR A 68 -7.097 -13.942 -0.762 1.00 0.00 C ATOM 791 CZ TYR A 68 -7.014 -14.198 0.591 1.00 0.00 C ATOM 792 OH TYR A 68 -7.139 -15.488 1.054 1.00 0.00 O ATOM 0 H TYR A 68 -5.861 -7.257 0.101 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.247 -9.905 0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.601 -9.690 -0.813 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.329 -10.206 -1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.519 -11.069 1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.036 -12.449 -2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.745 -13.371 2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.260 -14.751 -1.459 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.281 -16.095 0.298 1.00 0.00 H new ATOM 802 N ASP A 69 -4.453 -7.790 -1.557 1.00 0.00 N ATOM 803 CA ASP A 69 -3.397 -7.310 -2.439 1.00 0.00 C ATOM 804 C ASP A 69 -2.015 -7.695 -1.930 1.00 0.00 C ATOM 805 O ASP A 69 -1.389 -6.968 -1.158 1.00 0.00 O ATOM 806 CB ASP A 69 -3.507 -5.793 -2.579 1.00 0.00 C ATOM 807 CG ASP A 69 -4.690 -5.384 -3.436 1.00 0.00 C ATOM 808 OD1 ASP A 69 -4.996 -6.105 -4.406 1.00 0.00 O ATOM 809 OD2 ASP A 69 -5.305 -4.342 -3.138 1.00 0.00 O ATOM 0 H ASP A 69 -5.218 -7.126 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.525 -7.782 -3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.603 -5.344 -1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.589 -5.402 -3.018 1.00 0.00 H new ATOM 814 N ARG A 70 -1.553 -8.852 -2.379 1.00 0.00 N ATOM 815 CA ARG A 70 -0.252 -9.370 -1.994 1.00 0.00 C ATOM 816 C ARG A 70 0.865 -8.503 -2.571 1.00 0.00 C ATOM 817 O ARG A 70 1.222 -8.628 -3.743 1.00 0.00 O ATOM 818 CB ARG A 70 -0.131 -10.810 -2.485 1.00 0.00 C ATOM 819 CG ARG A 70 1.256 -11.415 -2.314 1.00 0.00 C ATOM 820 CD ARG A 70 1.799 -11.961 -3.625 1.00 0.00 C ATOM 821 NE ARG A 70 1.733 -13.419 -3.680 1.00 0.00 N ATOM 822 CZ ARG A 70 2.612 -14.222 -3.083 1.00 0.00 C ATOM 823 NH1 ARG A 70 3.620 -13.713 -2.385 1.00 0.00 N ATOM 824 NH2 ARG A 70 2.483 -15.537 -3.186 1.00 0.00 N ATOM 0 H ARG A 70 -2.069 -9.456 -3.019 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.156 -9.348 -0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.852 -11.426 -1.949 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.403 -10.846 -3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.937 -10.658 -1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.215 -12.216 -1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.231 -11.541 -4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.833 -11.640 -3.751 1.00 0.00 H new ATOM 0 HE ARG A 70 0.970 -13.847 -4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.725 -12.702 -2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.290 -14.333 -1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.711 -15.933 -3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.156 -16.153 -2.729 1.00 0.00 H new ATOM 838 N LEU A 71 1.404 -7.616 -1.741 1.00 0.00 N ATOM 839 CA LEU A 71 2.474 -6.714 -2.161 1.00 0.00 C ATOM 840 C LEU A 71 3.674 -7.483 -2.701 1.00 0.00 C ATOM 841 O LEU A 71 4.373 -8.164 -1.951 1.00 0.00 O ATOM 842 CB LEU A 71 2.913 -5.835 -0.988 1.00 0.00 C ATOM 843 CG LEU A 71 1.771 -5.231 -0.162 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.894 -5.636 1.299 1.00 0.00 C ATOM 845 CD2 LEU A 71 1.751 -3.714 -0.296 1.00 0.00 C ATOM 0 H LEU A 71 1.117 -7.501 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 71 2.082 -6.087 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.544 -6.428 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.530 -5.023 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 71 0.829 -5.620 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.075 -5.197 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.852 -6.722 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.844 -5.279 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.933 -3.307 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.697 -3.305 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.609 -3.443 -1.342 1.00 0.00 H new ATOM 857 N LEU A 72 3.916 -7.362 -4.003 1.00 0.00 N ATOM 858 CA LEU A 72 5.044 -8.041 -4.632 1.00 0.00 C ATOM 859 C LEU A 72 6.326 -7.235 -4.453 1.00 0.00 C ATOM 860 O LEU A 72 7.376 -7.786 -4.122 1.00 0.00 O ATOM 861 CB LEU A 72 4.778 -8.276 -6.120 1.00 0.00 C ATOM 862 CG LEU A 72 3.408 -8.865 -6.472 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.448 -9.497 -7.854 1.00 0.00 C ATOM 864 CD2 LEU A 72 2.961 -9.893 -5.441 1.00 0.00 C ATOM 0 H LEU A 72 3.349 -6.803 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 72 5.166 -9.008 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.888 -7.326 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.548 -8.944 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 72 2.684 -8.050 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.469 -9.912 -8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.711 -8.740 -8.593 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.193 -10.293 -7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.986 -10.290 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.686 -10.706 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.891 -9.420 -4.462 1.00 0.00 H new ATOM 876 N GLN A 73 6.231 -5.928 -4.676 1.00 0.00 N ATOM 877 CA GLN A 73 7.380 -5.041 -4.540 1.00 0.00 C ATOM 878 C GLN A 73 6.961 -3.701 -3.945 1.00 0.00 C ATOM 879 O GLN A 73 5.882 -3.189 -4.247 1.00 0.00 O ATOM 880 CB GLN A 73 8.046 -4.823 -5.900 1.00 0.00 C ATOM 881 CG GLN A 73 7.145 -4.140 -6.917 1.00 0.00 C ATOM 882 CD GLN A 73 7.805 -2.943 -7.574 1.00 0.00 C ATOM 883 OE1 GLN A 73 7.713 -1.820 -7.079 1.00 0.00 O ATOM 884 NE2 GLN A 73 8.476 -3.178 -8.695 1.00 0.00 N ATOM 0 H GLN A 73 5.368 -5.459 -4.952 1.00 0.00 H new ATOM 0 HA GLN A 73 8.095 -5.511 -3.865 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.945 -4.222 -5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.364 -5.787 -6.298 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.860 -4.859 -7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.227 -3.819 -6.425 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.526 -4.125 -9.070 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.941 -2.411 -9.181 1.00 0.00 H new ATOM 893 N VAL A 74 7.812 -3.142 -3.092 1.00 0.00 N ATOM 894 CA VAL A 74 7.520 -1.865 -2.451 1.00 0.00 C ATOM 895 C VAL A 74 8.686 -0.890 -2.590 1.00 0.00 C ATOM 896 O VAL A 74 9.843 -1.299 -2.694 1.00 0.00 O ATOM 897 CB VAL A 74 7.201 -2.058 -0.957 1.00 0.00 C ATOM 898 CG1 VAL A 74 6.826 -0.732 -0.309 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.090 -3.083 -0.777 1.00 0.00 C ATOM 0 H VAL A 74 8.708 -3.552 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 74 6.649 -1.448 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 74 8.096 -2.434 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.605 -0.892 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.657 -0.033 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.947 -0.320 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.878 -3.207 0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.191 -2.739 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.404 -4.038 -1.198 1.00 0.00 H new ATOM 909 N ASN A 75 8.364 0.404 -2.586 1.00 0.00 N ATOM 910 CA ASN A 75 9.369 1.463 -2.706 1.00 0.00 C ATOM 911 C ASN A 75 10.453 1.110 -3.723 1.00 0.00 C ATOM 912 O ASN A 75 11.607 1.514 -3.576 1.00 0.00 O ATOM 913 CB ASN A 75 10.009 1.735 -1.344 1.00 0.00 C ATOM 914 CG ASN A 75 9.052 2.405 -0.378 1.00 0.00 C ATOM 915 OD1 ASN A 75 8.823 1.913 0.728 1.00 0.00 O ATOM 916 ND2 ASN A 75 8.489 3.534 -0.790 1.00 0.00 N ATOM 0 H ASN A 75 7.407 0.747 -2.500 1.00 0.00 H new ATOM 0 HA ASN A 75 8.859 2.359 -3.060 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.355 0.795 -0.914 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.887 2.367 -1.478 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.837 4.030 -0.182 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.708 3.905 -1.714 1.00 0.00 H new ATOM 923 N HIS A 76 10.077 0.360 -4.756 1.00 0.00 N ATOM 924 CA HIS A 76 11.019 -0.042 -5.801 1.00 0.00 C ATOM 925 C HIS A 76 11.929 -1.163 -5.311 1.00 0.00 C ATOM 926 O HIS A 76 13.137 -1.144 -5.547 1.00 0.00 O ATOM 927 CB HIS A 76 11.859 1.154 -6.261 1.00 0.00 C ATOM 928 CG HIS A 76 12.482 0.963 -7.609 1.00 0.00 C ATOM 929 ND1 HIS A 76 12.385 -0.211 -8.324 1.00 0.00 N ATOM 930 CD2 HIS A 76 13.215 1.807 -8.373 1.00 0.00 C ATOM 931 CE1 HIS A 76 13.032 -0.082 -9.469 1.00 0.00 C ATOM 932 NE2 HIS A 76 13.543 1.134 -9.523 1.00 0.00 N ATOM 0 H HIS A 76 9.126 0.017 -4.893 1.00 0.00 H new ATOM 0 HA HIS A 76 10.441 -0.411 -6.648 1.00 0.00 H new ATOM 0 HB2 HIS A 76 11.229 2.043 -6.283 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.645 1.339 -5.529 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.490 2.821 -8.124 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.127 -0.842 -10.231 1.00 0.00 H new ATOM 0 HE2 HIS A 76 14.093 1.512 -10.295 1.00 0.00 H new ATOM 941 N VAL A 77 11.343 -2.133 -4.618 1.00 0.00 N ATOM 942 CA VAL A 77 12.098 -3.255 -4.085 1.00 0.00 C ATOM 943 C VAL A 77 11.216 -4.494 -3.962 1.00 0.00 C ATOM 944 O VAL A 77 9.999 -4.388 -3.804 1.00 0.00 O ATOM 945 CB VAL A 77 12.671 -2.902 -2.701 1.00 0.00 C ATOM 946 CG1 VAL A 77 13.322 -4.114 -2.049 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.660 -1.752 -2.813 1.00 0.00 C ATOM 0 H VAL A 77 10.344 -2.162 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 77 12.914 -3.468 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 77 11.845 -2.587 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.717 -3.833 -1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.581 -4.904 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.135 -4.474 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 77 14.056 -1.515 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 77 14.479 -2.039 -3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 77 13.155 -0.876 -3.221 1.00 0.00 H new ATOM 957 N ARG A 78 11.836 -5.665 -4.034 1.00 0.00 N ATOM 958 CA ARG A 78 11.108 -6.923 -3.930 1.00 0.00 C ATOM 959 C ARG A 78 10.573 -7.122 -2.515 1.00 0.00 C ATOM 960 O ARG A 78 11.312 -7.004 -1.539 1.00 0.00 O ATOM 961 CB ARG A 78 12.012 -8.096 -4.315 1.00 0.00 C ATOM 962 CG ARG A 78 12.224 -8.233 -5.815 1.00 0.00 C ATOM 963 CD ARG A 78 13.210 -7.200 -6.335 1.00 0.00 C ATOM 964 NE ARG A 78 14.107 -7.761 -7.345 1.00 0.00 N ATOM 965 CZ ARG A 78 15.108 -8.592 -7.065 1.00 0.00 C ATOM 966 NH1 ARG A 78 15.344 -8.963 -5.812 1.00 0.00 N ATOM 967 NH2 ARG A 78 15.878 -9.055 -8.042 1.00 0.00 N ATOM 0 H ARG A 78 12.842 -5.770 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 78 10.264 -6.885 -4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.980 -7.973 -3.829 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.578 -9.020 -3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.591 -9.234 -6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.270 -8.119 -6.330 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.663 -6.359 -6.762 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.798 -6.809 -5.504 1.00 0.00 H new ATOM 0 HE ARG A 78 13.957 -7.500 -8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.756 -8.611 -5.057 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.113 -9.600 -5.605 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.702 -8.774 -9.007 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.645 -9.692 -7.828 1.00 0.00 H new ATOM 981 N THR A 79 9.283 -7.421 -2.412 1.00 0.00 N ATOM 982 CA THR A 79 8.648 -7.633 -1.117 1.00 0.00 C ATOM 983 C THR A 79 7.581 -8.722 -1.202 1.00 0.00 C ATOM 984 O THR A 79 6.617 -8.716 -0.437 1.00 0.00 O ATOM 985 CB THR A 79 8.026 -6.331 -0.614 1.00 0.00 C ATOM 986 OG1 THR A 79 7.091 -5.828 -1.553 1.00 0.00 O ATOM 987 CG2 THR A 79 9.043 -5.242 -0.352 1.00 0.00 C ATOM 0 H THR A 79 8.656 -7.522 -3.210 1.00 0.00 H new ATOM 0 HA THR A 79 9.415 -7.958 -0.414 1.00 0.00 H new ATOM 0 HB THR A 79 7.543 -6.587 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.181 -5.977 -1.221 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.533 -4.346 0.003 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.751 -5.580 0.404 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.578 -5.014 -1.274 1.00 0.00 H new ATOM 995 N ARG A 80 7.763 -9.654 -2.130 1.00 0.00 N ATOM 996 CA ARG A 80 6.814 -10.748 -2.308 1.00 0.00 C ATOM 997 C ARG A 80 7.105 -11.881 -1.327 1.00 0.00 C ATOM 998 O ARG A 80 6.194 -12.424 -0.701 1.00 0.00 O ATOM 999 CB ARG A 80 6.865 -11.269 -3.746 1.00 0.00 C ATOM 1000 CG ARG A 80 5.497 -11.371 -4.402 1.00 0.00 C ATOM 1001 CD ARG A 80 5.237 -12.763 -4.959 1.00 0.00 C ATOM 1002 NE ARG A 80 5.139 -12.760 -6.415 1.00 0.00 N ATOM 1003 CZ ARG A 80 6.190 -12.684 -7.228 1.00 0.00 C ATOM 1004 NH1 ARG A 80 7.420 -12.607 -6.731 1.00 0.00 N ATOM 1005 NH2 ARG A 80 6.013 -12.683 -8.542 1.00 0.00 N ATOM 0 H ARG A 80 8.557 -9.675 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 80 5.813 -10.367 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.496 -10.609 -4.341 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.336 -12.252 -3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.726 -11.122 -3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.425 -10.639 -5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.040 -13.432 -4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.314 -13.157 -4.534 1.00 0.00 H new ATOM 0 HE ARG A 80 4.211 -12.820 -6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.563 -12.606 -5.721 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.221 -12.549 -7.359 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.071 -12.740 -8.930 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.818 -12.625 -9.165 1.00 0.00 H new ATOM 1019 N ASP A 81 8.383 -12.232 -1.199 1.00 0.00 N ATOM 1020 CA ASP A 81 8.796 -13.299 -0.294 1.00 0.00 C ATOM 1021 C ASP A 81 9.163 -12.749 1.083 1.00 0.00 C ATOM 1022 O ASP A 81 9.800 -13.436 1.883 1.00 0.00 O ATOM 1023 CB ASP A 81 9.985 -14.061 -0.883 1.00 0.00 C ATOM 1024 CG ASP A 81 11.203 -13.174 -1.072 1.00 0.00 C ATOM 1025 OD1 ASP A 81 11.964 -12.995 -0.097 1.00 0.00 O ATOM 1026 OD2 ASP A 81 11.393 -12.660 -2.193 1.00 0.00 O ATOM 0 H ASP A 81 9.149 -11.793 -1.710 1.00 0.00 H new ATOM 0 HA ASP A 81 7.953 -13.980 -0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.242 -14.892 -0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.699 -14.490 -1.843 1.00 0.00 H new ATOM 1031 N PHE A 82 8.759 -11.512 1.356 1.00 0.00 N ATOM 1032 CA PHE A 82 9.049 -10.880 2.637 1.00 0.00 C ATOM 1033 C PHE A 82 8.049 -11.320 3.699 1.00 0.00 C ATOM 1034 O PHE A 82 7.016 -11.914 3.387 1.00 0.00 O ATOM 1035 CB PHE A 82 9.010 -9.354 2.496 1.00 0.00 C ATOM 1036 CG PHE A 82 10.296 -8.732 2.008 1.00 0.00 C ATOM 1037 CD1 PHE A 82 11.418 -9.504 1.734 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.374 -7.361 1.828 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.588 -8.916 1.290 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.542 -6.769 1.384 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.650 -7.548 1.116 1.00 0.00 C ATOM 0 H PHE A 82 8.230 -10.929 0.707 1.00 0.00 H new ATOM 0 HA PHE A 82 10.047 -11.189 2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.209 -9.087 1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.757 -8.920 3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 82 11.376 -10.575 1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.511 -6.746 2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.453 -9.527 1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.588 -5.699 1.247 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.564 -7.088 0.771 1.00 0.00 H new ATOM 1051 N ASP A 83 8.359 -11.017 4.954 1.00 0.00 N ATOM 1052 CA ASP A 83 7.486 -11.374 6.063 1.00 0.00 C ATOM 1053 C ASP A 83 6.781 -10.136 6.606 1.00 0.00 C ATOM 1054 O ASP A 83 7.207 -9.009 6.351 1.00 0.00 O ATOM 1055 CB ASP A 83 8.287 -12.051 7.178 1.00 0.00 C ATOM 1056 CG ASP A 83 8.258 -13.562 7.073 1.00 0.00 C ATOM 1057 OD1 ASP A 83 7.252 -14.168 7.503 1.00 0.00 O ATOM 1058 OD2 ASP A 83 9.238 -14.143 6.563 1.00 0.00 O ATOM 0 H ASP A 83 9.209 -10.525 5.228 1.00 0.00 H new ATOM 0 HA ASP A 83 6.735 -12.073 5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.320 -11.706 7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.886 -11.749 8.145 1.00 0.00 H new ATOM 1063 N CYS A 84 5.703 -10.349 7.351 1.00 0.00 N ATOM 1064 CA CYS A 84 4.943 -9.243 7.924 1.00 0.00 C ATOM 1065 C CYS A 84 5.861 -8.294 8.686 1.00 0.00 C ATOM 1066 O CYS A 84 5.687 -7.077 8.641 1.00 0.00 O ATOM 1067 CB CYS A 84 3.853 -9.776 8.857 1.00 0.00 C ATOM 1068 SG CYS A 84 4.470 -10.842 10.181 1.00 0.00 S ATOM 0 H CYS A 84 5.336 -11.274 7.572 1.00 0.00 H new ATOM 0 HA CYS A 84 4.475 -8.692 7.108 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.325 -8.932 9.301 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.125 -10.332 8.267 1.00 0.00 H new ATOM 0 HG CYS A 84 3.792 -11.951 10.197 1.00 0.00 H new ATOM 1074 N CYS A 85 6.836 -8.861 9.384 1.00 0.00 N ATOM 1075 CA CYS A 85 7.781 -8.071 10.156 1.00 0.00 C ATOM 1076 C CYS A 85 8.657 -7.208 9.250 1.00 0.00 C ATOM 1077 O CYS A 85 9.178 -6.179 9.679 1.00 0.00 O ATOM 1078 CB CYS A 85 8.658 -8.982 11.018 1.00 0.00 C ATOM 1079 SG CYS A 85 9.495 -10.291 10.091 1.00 0.00 S ATOM 0 H CYS A 85 6.992 -9.868 9.430 1.00 0.00 H new ATOM 0 HA CYS A 85 7.207 -7.408 10.804 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.407 -8.374 11.525 1.00 0.00 H new ATOM 0 HB3 CYS A 85 8.040 -9.437 11.792 1.00 0.00 H new ATOM 0 HG CYS A 85 10.214 -11.007 10.904 1.00 0.00 H new ATOM 1085 N LEU A 86 8.816 -7.632 8.000 1.00 0.00 N ATOM 1086 CA LEU A 86 9.629 -6.893 7.040 1.00 0.00 C ATOM 1087 C LEU A 86 8.769 -5.931 6.224 1.00 0.00 C ATOM 1088 O LEU A 86 9.238 -4.879 5.780 1.00 0.00 O ATOM 1089 CB LEU A 86 10.361 -7.864 6.108 1.00 0.00 C ATOM 1090 CG LEU A 86 11.889 -7.787 6.165 1.00 0.00 C ATOM 1091 CD1 LEU A 86 12.496 -9.182 6.183 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.427 -6.985 4.989 1.00 0.00 C ATOM 0 H LEU A 86 8.393 -8.483 7.628 1.00 0.00 H new ATOM 0 HA LEU A 86 10.364 -6.310 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.054 -8.881 6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.040 -7.673 5.084 1.00 0.00 H new ATOM 0 HG LEU A 86 12.173 -7.279 7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.583 -9.106 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.137 -9.724 7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.203 -9.718 5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.515 -6.941 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.132 -7.465 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.021 -5.974 5.022 1.00 0.00 H new ATOM 1104 N VAL A 87 7.506 -6.296 6.038 1.00 0.00 N ATOM 1105 CA VAL A 87 6.577 -5.474 5.280 1.00 0.00 C ATOM 1106 C VAL A 87 6.073 -4.298 6.110 1.00 0.00 C ATOM 1107 O VAL A 87 5.855 -3.208 5.583 1.00 0.00 O ATOM 1108 CB VAL A 87 5.381 -6.306 4.780 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.462 -5.459 3.911 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.872 -7.527 4.015 1.00 0.00 C ATOM 0 H VAL A 87 7.103 -7.159 6.404 1.00 0.00 H new ATOM 0 HA VAL A 87 7.121 -5.085 4.419 1.00 0.00 H new ATOM 0 HB VAL A 87 4.810 -6.646 5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.624 -6.066 3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.086 -4.617 4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.017 -5.087 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.017 -8.106 3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.465 -7.206 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.486 -8.144 4.671 1.00 0.00 H new ATOM 1120 N VAL A 88 5.887 -4.519 7.410 1.00 0.00 N ATOM 1121 CA VAL A 88 5.406 -3.460 8.288 1.00 0.00 C ATOM 1122 C VAL A 88 6.355 -2.260 8.262 1.00 0.00 C ATOM 1123 O VAL A 88 5.924 -1.129 8.044 1.00 0.00 O ATOM 1124 CB VAL A 88 5.219 -3.950 9.743 1.00 0.00 C ATOM 1125 CG1 VAL A 88 4.760 -2.810 10.644 1.00 0.00 C ATOM 1126 CG2 VAL A 88 4.228 -5.105 9.791 1.00 0.00 C ATOM 0 H VAL A 88 6.060 -5.412 7.872 1.00 0.00 H new ATOM 0 HA VAL A 88 4.430 -3.155 7.910 1.00 0.00 H new ATOM 0 HB VAL A 88 6.182 -4.305 10.111 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.635 -3.179 11.662 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.506 -2.016 10.635 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.810 -2.419 10.281 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.107 -5.438 10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.265 -4.775 9.401 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.601 -5.930 9.184 1.00 0.00 H new ATOM 1136 N PRO A 89 7.667 -2.487 8.469 1.00 0.00 N ATOM 1137 CA PRO A 89 8.665 -1.415 8.450 1.00 0.00 C ATOM 1138 C PRO A 89 8.818 -0.821 7.054 1.00 0.00 C ATOM 1139 O PRO A 89 8.864 0.398 6.887 1.00 0.00 O ATOM 1140 CB PRO A 89 9.966 -2.105 8.887 1.00 0.00 C ATOM 1141 CG PRO A 89 9.544 -3.420 9.452 1.00 0.00 C ATOM 1142 CD PRO A 89 8.289 -3.793 8.723 1.00 0.00 C ATOM 0 HA PRO A 89 8.386 -0.585 9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.643 -2.239 8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.496 -1.510 9.630 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.318 -4.174 9.309 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.366 -3.346 10.525 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.501 -4.328 7.797 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.647 -4.438 9.324 1.00 0.00 H new ATOM 1150 N LEU A 90 8.886 -1.693 6.046 1.00 0.00 N ATOM 1151 CA LEU A 90 9.022 -1.249 4.665 1.00 0.00 C ATOM 1152 C LEU A 90 7.917 -0.258 4.313 1.00 0.00 C ATOM 1153 O LEU A 90 8.107 0.641 3.493 1.00 0.00 O ATOM 1154 CB LEU A 90 8.972 -2.445 3.715 1.00 0.00 C ATOM 1155 CG LEU A 90 10.296 -3.188 3.538 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.049 -4.643 3.176 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.148 -2.510 2.475 1.00 0.00 C ATOM 0 H LEU A 90 8.849 -2.706 6.163 1.00 0.00 H new ATOM 0 HA LEU A 90 9.986 -0.753 4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.224 -3.149 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.634 -2.099 2.738 1.00 0.00 H new ATOM 0 HG LEU A 90 10.836 -3.158 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.004 -5.155 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.478 -5.124 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.488 -4.696 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.087 -3.052 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.613 -2.509 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.355 -1.483 2.776 1.00 0.00 H new ATOM 1169 N ILE A 91 6.760 -0.432 4.943 1.00 0.00 N ATOM 1170 CA ILE A 91 5.616 0.440 4.710 1.00 0.00 C ATOM 1171 C ILE A 91 5.762 1.757 5.474 1.00 0.00 C ATOM 1172 O ILE A 91 5.564 2.836 4.915 1.00 0.00 O ATOM 1173 CB ILE A 91 4.298 -0.256 5.126 1.00 0.00 C ATOM 1174 CG1 ILE A 91 4.001 -1.426 4.187 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.130 0.728 5.138 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.999 -2.412 4.750 1.00 0.00 C ATOM 0 H ILE A 91 6.590 -1.174 5.622 1.00 0.00 H new ATOM 0 HA ILE A 91 5.583 0.655 3.642 1.00 0.00 H new ATOM 0 HB ILE A 91 4.422 -0.637 6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.624 -1.036 3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.931 -1.950 3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.219 0.208 5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.337 1.530 5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.999 1.150 4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.836 -3.215 4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.383 -2.830 5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.056 -1.902 4.944 1.00 0.00 H new ATOM 1188 N ALA A 92 6.087 1.656 6.759 1.00 0.00 N ATOM 1189 CA ALA A 92 6.235 2.827 7.610 1.00 0.00 C ATOM 1190 C ALA A 92 7.502 3.623 7.303 1.00 0.00 C ATOM 1191 O ALA A 92 7.730 4.680 7.892 1.00 0.00 O ATOM 1192 CB ALA A 92 6.219 2.415 9.072 1.00 0.00 C ATOM 0 H ALA A 92 6.253 0.769 7.234 1.00 0.00 H new ATOM 0 HA ALA A 92 5.389 3.482 7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.330 3.299 9.700 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.273 1.924 9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.042 1.727 9.265 1.00 0.00 H new ATOM 1198 N GLU A 93 8.331 3.123 6.391 1.00 0.00 N ATOM 1199 CA GLU A 93 9.567 3.816 6.040 1.00 0.00 C ATOM 1200 C GLU A 93 9.453 4.542 4.700 1.00 0.00 C ATOM 1201 O GLU A 93 10.444 5.056 4.182 1.00 0.00 O ATOM 1202 CB GLU A 93 10.738 2.833 6.002 1.00 0.00 C ATOM 1203 CG GLU A 93 10.584 1.743 4.959 1.00 0.00 C ATOM 1204 CD GLU A 93 11.724 1.724 3.960 1.00 0.00 C ATOM 1205 OE1 GLU A 93 12.859 1.389 4.360 1.00 0.00 O ATOM 1206 OE2 GLU A 93 11.482 2.041 2.776 1.00 0.00 O ATOM 0 H GLU A 93 8.173 2.251 5.887 1.00 0.00 H new ATOM 0 HA GLU A 93 9.748 4.565 6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.658 3.384 5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.846 2.372 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.526 0.775 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.643 1.885 4.428 1.00 0.00 H new ATOM 1213 N SER A 94 8.246 4.590 4.142 1.00 0.00 N ATOM 1214 CA SER A 94 8.029 5.268 2.868 1.00 0.00 C ATOM 1215 C SER A 94 8.303 6.756 3.011 1.00 0.00 C ATOM 1216 O SER A 94 8.882 7.387 2.125 1.00 0.00 O ATOM 1217 CB SER A 94 6.600 5.032 2.373 1.00 0.00 C ATOM 1218 OG SER A 94 6.108 6.154 1.658 1.00 0.00 O ATOM 0 H SER A 94 7.410 4.171 4.548 1.00 0.00 H new ATOM 0 HA SER A 94 8.720 4.856 2.132 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.576 4.151 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.949 4.826 3.222 1.00 0.00 H new ATOM 0 HG SER A 94 6.505 6.171 0.762 1.00 0.00 H new ATOM 1224 N GLY A 95 7.886 7.299 4.139 1.00 0.00 N ATOM 1225 CA GLY A 95 8.092 8.710 4.413 1.00 0.00 C ATOM 1226 C GLY A 95 6.834 9.538 4.236 1.00 0.00 C ATOM 1227 O GLY A 95 6.499 10.357 5.091 1.00 0.00 O ATOM 0 H GLY A 95 7.404 6.788 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.457 8.827 5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.869 9.093 3.751 1.00 0.00 H new ATOM 1231 N ASN A 96 6.138 9.331 3.123 1.00 0.00 N ATOM 1232 CA ASN A 96 4.913 10.073 2.841 1.00 0.00 C ATOM 1233 C ASN A 96 4.129 9.438 1.698 1.00 0.00 C ATOM 1234 O ASN A 96 2.899 9.428 1.710 1.00 0.00 O ATOM 1235 CB ASN A 96 5.246 11.529 2.502 1.00 0.00 C ATOM 1236 CG ASN A 96 4.529 12.513 3.406 1.00 0.00 C ATOM 1237 OD1 ASN A 96 3.456 13.014 3.068 1.00 0.00 O ATOM 1238 ND2 ASN A 96 5.119 12.793 4.561 1.00 0.00 N ATOM 0 H ASN A 96 6.400 8.658 2.403 1.00 0.00 H new ATOM 0 HA ASN A 96 4.290 10.043 3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 96 6.322 11.681 2.585 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.975 11.729 1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.683 13.447 5.211 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.008 12.354 4.799 1.00 0.00 H new ATOM 1245 N LYS A 97 4.845 8.909 0.711 1.00 0.00 N ATOM 1246 CA LYS A 97 4.216 8.271 -0.438 1.00 0.00 C ATOM 1247 C LYS A 97 4.713 6.838 -0.589 1.00 0.00 C ATOM 1248 O LYS A 97 5.894 6.606 -0.848 1.00 0.00 O ATOM 1249 CB LYS A 97 4.508 9.063 -1.713 1.00 0.00 C ATOM 1250 CG LYS A 97 3.406 10.043 -2.086 1.00 0.00 C ATOM 1251 CD LYS A 97 3.718 10.764 -3.388 1.00 0.00 C ATOM 1252 CE LYS A 97 3.257 9.960 -4.594 1.00 0.00 C ATOM 1253 NZ LYS A 97 2.656 10.830 -5.643 1.00 0.00 N ATOM 0 H LYS A 97 5.865 8.910 0.685 1.00 0.00 H new ATOM 0 HA LYS A 97 3.139 8.253 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.442 9.610 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.658 8.366 -2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.460 9.509 -2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.280 10.773 -1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.230 11.739 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.791 10.944 -3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.104 9.417 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.526 9.216 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.354 10.245 -6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.833 11.329 -5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.361 11.524 -5.964 1.00 0.00 H new ATOM 1267 N LEU A 98 3.812 5.881 -0.410 1.00 0.00 N ATOM 1268 CA LEU A 98 4.169 4.474 -0.512 1.00 0.00 C ATOM 1269 C LEU A 98 3.755 3.887 -1.858 1.00 0.00 C ATOM 1270 O LEU A 98 2.607 3.483 -2.041 1.00 0.00 O ATOM 1271 CB LEU A 98 3.508 3.679 0.618 1.00 0.00 C ATOM 1272 CG LEU A 98 4.418 2.701 1.372 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.588 1.588 1.988 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.483 2.117 0.450 1.00 0.00 C ATOM 0 H LEU A 98 2.830 6.054 -0.194 1.00 0.00 H new ATOM 0 HA LEU A 98 5.253 4.402 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.091 4.385 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.672 3.118 0.200 1.00 0.00 H new ATOM 0 HG LEU A 98 4.925 3.250 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.242 0.898 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.866 2.015 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.059 1.051 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.113 1.428 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.002 1.583 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.097 2.923 0.047 1.00 0.00 H new ATOM 1286 N ASP A 99 4.702 3.820 -2.787 1.00 0.00 N ATOM 1287 CA ASP A 99 4.435 3.257 -4.103 1.00 0.00 C ATOM 1288 C ASP A 99 4.857 1.793 -4.129 1.00 0.00 C ATOM 1289 O ASP A 99 6.028 1.473 -3.925 1.00 0.00 O ATOM 1290 CB ASP A 99 5.183 4.040 -5.183 1.00 0.00 C ATOM 1291 CG ASP A 99 4.395 4.141 -6.474 1.00 0.00 C ATOM 1292 OD1 ASP A 99 3.729 3.151 -6.844 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.441 5.212 -7.116 1.00 0.00 O ATOM 0 H ASP A 99 5.659 4.148 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 99 3.366 3.327 -4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.402 5.042 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.140 3.557 -5.381 1.00 0.00 H new ATOM 1298 N LEU A 100 3.898 0.904 -4.358 1.00 0.00 N ATOM 1299 CA LEU A 100 4.188 -0.525 -4.382 1.00 0.00 C ATOM 1300 C LEU A 100 3.311 -1.266 -5.384 1.00 0.00 C ATOM 1301 O LEU A 100 2.216 -0.815 -5.724 1.00 0.00 O ATOM 1302 CB LEU A 100 3.988 -1.119 -2.987 1.00 0.00 C ATOM 1303 CG LEU A 100 2.732 -0.642 -2.254 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.576 -1.597 -2.502 1.00 0.00 C ATOM 1305 CD2 LEU A 100 3.004 -0.507 -0.763 1.00 0.00 C ATOM 0 H LEU A 100 2.921 1.144 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 100 5.226 -0.646 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.950 -2.205 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.859 -0.878 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 100 2.457 0.338 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.691 -1.242 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.366 -1.644 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.841 -2.591 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.100 -0.167 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.304 -1.474 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.803 0.217 -0.603 1.00 0.00 H new ATOM 1317 N VAL A 101 3.800 -2.415 -5.840 1.00 0.00 N ATOM 1318 CA VAL A 101 3.067 -3.241 -6.790 1.00 0.00 C ATOM 1319 C VAL A 101 2.505 -4.475 -6.093 1.00 0.00 C ATOM 1320 O VAL A 101 3.250 -5.371 -5.698 1.00 0.00 O ATOM 1321 CB VAL A 101 3.965 -3.687 -7.961 1.00 0.00 C ATOM 1322 CG1 VAL A 101 3.134 -4.335 -9.058 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.755 -2.505 -8.505 1.00 0.00 C ATOM 0 H VAL A 101 4.705 -2.796 -5.565 1.00 0.00 H new ATOM 0 HA VAL A 101 2.252 -2.637 -7.188 1.00 0.00 H new ATOM 0 HB VAL A 101 4.672 -4.429 -7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.787 -4.643 -9.875 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.619 -5.208 -8.657 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.400 -3.620 -9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.384 -2.837 -9.331 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.066 -1.739 -8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.382 -2.092 -7.715 1.00 0.00 H new ATOM 1333 N ILE A 102 1.187 -4.504 -5.930 1.00 0.00 N ATOM 1334 CA ILE A 102 0.523 -5.617 -5.265 1.00 0.00 C ATOM 1335 C ILE A 102 -0.217 -6.501 -6.262 1.00 0.00 C ATOM 1336 O ILE A 102 -0.368 -6.146 -7.429 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.482 -5.107 -4.214 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.551 -4.244 -4.891 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.227 -4.323 -3.115 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.662 -5.051 -5.525 1.00 0.00 C ATOM 0 H ILE A 102 0.557 -3.768 -6.250 1.00 0.00 H new ATOM 0 HA ILE A 102 1.300 -6.204 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.965 -5.967 -3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.980 -3.566 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.079 -3.627 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.505 -3.975 -2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.954 -4.967 -2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.740 -3.466 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.384 -4.377 -5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.244 -5.710 -6.286 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.160 -5.648 -4.761 1.00 0.00 H new ATOM 1352 N SER A 103 -0.685 -7.654 -5.788 1.00 0.00 N ATOM 1353 CA SER A 103 -1.420 -8.589 -6.633 1.00 0.00 C ATOM 1354 C SER A 103 -2.555 -9.250 -5.851 1.00 0.00 C ATOM 1355 O SER A 103 -2.349 -9.747 -4.743 1.00 0.00 O ATOM 1356 CB SER A 103 -0.475 -9.653 -7.191 1.00 0.00 C ATOM 1357 OG SER A 103 -0.660 -9.817 -8.587 1.00 0.00 O ATOM 0 H SER A 103 -0.568 -7.962 -4.823 1.00 0.00 H new ATOM 0 HA SER A 103 -1.854 -8.031 -7.463 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.558 -9.369 -6.989 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.650 -10.602 -6.684 1.00 0.00 H new ATOM 0 HG SER A 103 0.134 -10.240 -8.975 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.754 -9.248 -6.431 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.919 -9.846 -5.783 1.00 0.00 C ATOM 1365 C ARG A 104 -5.885 -10.426 -6.814 1.00 0.00 C ATOM 1366 O ARG A 104 -6.127 -9.827 -7.860 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.638 -8.800 -4.919 1.00 0.00 C ATOM 1368 CG ARG A 104 -7.027 -9.217 -4.445 1.00 0.00 C ATOM 1369 CD ARG A 104 -8.091 -8.227 -4.893 1.00 0.00 C ATOM 1370 NE ARG A 104 -8.095 -8.040 -6.343 1.00 0.00 N ATOM 1371 CZ ARG A 104 -8.614 -6.976 -6.952 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -9.176 -6.004 -6.245 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -8.573 -6.885 -8.274 1.00 0.00 N ATOM 0 H ARG A 104 -3.944 -8.840 -7.346 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.572 -10.660 -5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -5.021 -8.581 -4.047 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.725 -7.875 -5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.263 -10.207 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.034 -9.292 -3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.071 -8.579 -4.571 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.921 -7.267 -4.405 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.676 -8.767 -6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.213 -6.069 -5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.571 -5.192 -6.719 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.144 -7.630 -8.823 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.970 -6.070 -8.742 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.440 -11.591 -6.497 1.00 0.00 N ATOM 1388 CA ASN A 105 -7.392 -12.252 -7.380 1.00 0.00 C ATOM 1389 C ASN A 105 -8.779 -11.619 -7.239 1.00 0.00 C ATOM 1390 O ASN A 105 -9.345 -11.598 -6.147 1.00 0.00 O ATOM 1391 CB ASN A 105 -7.459 -13.745 -7.057 1.00 0.00 C ATOM 1392 CG ASN A 105 -7.657 -14.007 -5.578 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -8.896 -13.894 -5.120 1.00 0.00 O flip ATOM 1394 ND2 ASN A 105 -6.707 -14.306 -4.856 1.00 0.00 N flip ATOM 0 H ASN A 105 -6.246 -12.097 -5.633 1.00 0.00 H new ATOM 0 HA ASN A 105 -7.057 -12.128 -8.410 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.277 -14.199 -7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.540 -14.228 -7.389 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -5.770 -14.382 -5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.856 -14.478 -3.862 1.00 0.00 H new ATOM 1401 N PRO A 106 -9.348 -11.082 -8.337 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.671 -10.449 -8.305 1.00 0.00 C ATOM 1403 C PRO A 106 -11.782 -11.449 -8.002 1.00 0.00 C ATOM 1404 O PRO A 106 -12.278 -12.087 -8.953 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.839 -9.870 -9.719 1.00 0.00 C ATOM 1406 CG PRO A 106 -9.471 -9.880 -10.313 1.00 0.00 C ATOM 1407 CD PRO A 106 -8.762 -11.042 -9.685 1.00 0.00 C ATOM 1408 OXT PRO A 106 -12.145 -11.587 -6.815 1.00 0.00 O ATOM 0 HA PRO A 106 -10.739 -9.697 -7.519 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.529 -10.471 -10.311 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -11.246 -8.859 -9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.516 -9.989 -11.397 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.949 -8.946 -10.108 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.938 -11.968 -10.232 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.683 -10.890 -9.654 1.00 0.00 H new TER 1416 PRO A 106