USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 THR OG1 : rot -67:sc= -0.248 USER MOD Set 1.2: A 31 MET CE :methyl -162:sc= -0.307 (180deg=-0.745) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.242 (180deg=-1.04) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -162:sc= -1.79 (180deg=-2.99!) USER MOD Single : A 18 GLN : amide:sc= -1.57 K(o=-1.6,f=-3.2!) USER MOD Single : A 22 SER OG : rot -43:sc= 0.297 USER MOD Single : A 24 MET CE :methyl -154:sc= -0.266 (180deg=-1.24) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 69:sc= -1.72! USER MOD Single : A 45 ASN : amide:sc= -0.0105 K(o=-0.011,f=-0.83) USER MOD Single : A 52 SER OG : rot 180:sc= 0.00116 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0.965 (180deg=0.947) USER MOD Single : A 66 LYS NZ :NH3+ -122:sc= 0.666 (180deg=-0.00278) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -130:sc= 0.506 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.31) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -155:sc= -2.92! (180deg=-5.11!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 150:sc= 2.03 (180deg=1.37) USER MOD Single : A 85 GLN : amide:sc= 0.18 X(o=0.18,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 15.755 6.650 -9.613 1.00 1.00 N ATOM 2 CA GLY A -5 15.856 5.626 -10.680 1.00 1.00 C ATOM 3 C GLY A -5 15.573 4.242 -10.142 1.00 1.00 C ATOM 4 O GLY A -5 14.421 3.809 -10.087 1.00 1.00 O ATOM 0 H1 GLY A -5 15.954 7.589 -10.013 1.00 1.00 H new ATOM 0 H2 GLY A -5 14.795 6.641 -9.213 1.00 1.00 H new ATOM 0 H3 GLY A -5 16.445 6.440 -8.863 1.00 1.00 H new ATOM 0 HA2 GLY A -5 15.152 5.859 -11.478 1.00 1.00 H new ATOM 0 HA3 GLY A -5 16.854 5.651 -11.118 1.00 1.00 H new ATOM 10 N ILE A -4 16.625 3.541 -9.745 1.00 1.00 N ATOM 11 CA ILE A -4 16.478 2.261 -9.079 1.00 1.00 C ATOM 12 C ILE A -4 16.989 2.388 -7.653 1.00 1.00 C ATOM 13 O ILE A -4 18.182 2.597 -7.425 1.00 1.00 O ATOM 14 CB ILE A -4 17.239 1.112 -9.795 1.00 1.00 C ATOM 15 CG1 ILE A -4 16.697 0.869 -11.210 1.00 1.00 C ATOM 16 CG2 ILE A -4 17.150 -0.173 -8.981 1.00 1.00 C ATOM 17 CD1 ILE A -4 17.206 1.845 -12.249 1.00 1.00 C ATOM 0 H ILE A -4 17.591 3.841 -9.874 1.00 1.00 H new ATOM 0 HA ILE A -4 15.419 2.003 -9.099 1.00 1.00 H new ATOM 0 HB ILE A -4 18.283 1.415 -9.880 1.00 1.00 H new ATOM 0 HG12 ILE A -4 16.961 -0.142 -11.519 1.00 1.00 H new ATOM 0 HG13 ILE A -4 15.609 0.920 -11.183 1.00 1.00 H new ATOM 0 HG21 ILE A -4 17.688 -0.968 -9.497 1.00 1.00 H new ATOM 0 HG22 ILE A -4 17.593 -0.013 -7.998 1.00 1.00 H new ATOM 0 HG23 ILE A -4 16.104 -0.459 -8.865 1.00 1.00 H new ATOM 0 HD11 ILE A -4 16.774 1.601 -13.220 1.00 1.00 H new ATOM 0 HD12 ILE A -4 16.919 2.858 -11.968 1.00 1.00 H new ATOM 0 HD13 ILE A -4 18.292 1.779 -12.309 1.00 1.00 H new ATOM 29 N ASP A -3 16.082 2.303 -6.699 1.00 1.00 N ATOM 30 CA ASP A -3 16.447 2.423 -5.298 1.00 1.00 C ATOM 31 C ASP A -3 16.724 1.050 -4.709 1.00 1.00 C ATOM 32 O ASP A -3 16.006 0.089 -4.991 1.00 1.00 O ATOM 33 CB ASP A -3 15.347 3.147 -4.513 1.00 1.00 C ATOM 34 CG ASP A -3 15.158 4.578 -4.980 1.00 1.00 C ATOM 35 OD1 ASP A -3 16.099 5.386 -4.836 1.00 1.00 O ATOM 36 OD2 ASP A -3 14.073 4.904 -5.502 1.00 1.00 O ATOM 0 H ASP A -3 15.087 2.151 -6.867 1.00 1.00 H new ATOM 0 HA ASP A -3 17.357 3.018 -5.223 1.00 1.00 H new ATOM 0 HB2 ASP A -3 14.408 2.604 -4.621 1.00 1.00 H new ATOM 0 HB3 ASP A -3 15.597 3.143 -3.452 1.00 1.00 H new ATOM 41 N PRO A -2 17.795 0.929 -3.910 1.00 1.00 N ATOM 42 CA PRO A -2 18.168 -0.337 -3.280 1.00 1.00 C ATOM 43 C PRO A -2 17.173 -0.758 -2.203 1.00 1.00 C ATOM 44 O PRO A -2 17.203 -0.254 -1.080 1.00 1.00 O ATOM 45 CB PRO A -2 19.542 -0.049 -2.671 1.00 1.00 C ATOM 46 CG PRO A -2 19.574 1.428 -2.472 1.00 1.00 C ATOM 47 CD PRO A -2 18.728 2.017 -3.566 1.00 1.00 C ATOM 0 HA PRO A -2 18.178 -1.161 -3.993 1.00 1.00 H new ATOM 0 HB2 PRO A -2 19.674 -0.577 -1.727 1.00 1.00 H new ATOM 0 HB3 PRO A -2 20.344 -0.375 -3.334 1.00 1.00 H new ATOM 0 HG2 PRO A -2 19.184 1.697 -1.490 1.00 1.00 H new ATOM 0 HG3 PRO A -2 20.595 1.806 -2.523 1.00 1.00 H new ATOM 0 HD2 PRO A -2 18.198 2.907 -3.227 1.00 1.00 H new ATOM 0 HD3 PRO A -2 19.332 2.313 -4.424 1.00 1.00 H new ATOM 55 N PHE A -1 16.271 -1.660 -2.561 1.00 1.00 N ATOM 56 CA PHE A -1 15.277 -2.148 -1.622 1.00 1.00 C ATOM 57 C PHE A -1 15.890 -3.177 -0.680 1.00 1.00 C ATOM 58 O PHE A -1 16.747 -3.970 -1.080 1.00 1.00 O ATOM 59 CB PHE A -1 14.056 -2.721 -2.358 1.00 1.00 C ATOM 60 CG PHE A -1 14.378 -3.726 -3.430 1.00 1.00 C ATOM 61 CD1 PHE A -1 14.667 -3.311 -4.722 1.00 1.00 C ATOM 62 CD2 PHE A -1 14.376 -5.082 -3.154 1.00 1.00 C ATOM 63 CE1 PHE A -1 14.951 -4.231 -5.711 1.00 1.00 C ATOM 64 CE2 PHE A -1 14.661 -6.007 -4.141 1.00 1.00 C ATOM 65 CZ PHE A -1 14.947 -5.580 -5.420 1.00 1.00 C ATOM 0 H PHE A -1 16.208 -2.067 -3.494 1.00 1.00 H new ATOM 0 HA PHE A -1 14.931 -1.306 -1.022 1.00 1.00 H new ATOM 0 HB2 PHE A -1 13.396 -3.189 -1.628 1.00 1.00 H new ATOM 0 HB3 PHE A -1 13.501 -1.897 -2.807 1.00 1.00 H new ATOM 0 HD1 PHE A -1 14.670 -2.257 -4.956 1.00 1.00 H new ATOM 0 HD2 PHE A -1 14.149 -5.422 -2.154 1.00 1.00 H new ATOM 0 HE1 PHE A -1 15.176 -3.895 -6.712 1.00 1.00 H new ATOM 0 HE2 PHE A -1 14.660 -7.062 -3.910 1.00 1.00 H new ATOM 0 HZ PHE A -1 15.168 -6.300 -6.194 1.00 1.00 H new ATOM 75 N THR A 0 15.452 -3.145 0.570 1.00 1.00 N ATOM 76 CA THR A 0 16.044 -3.965 1.619 1.00 1.00 C ATOM 77 C THR A 0 15.637 -5.439 1.490 1.00 1.00 C ATOM 78 O THR A 0 14.964 -5.834 0.532 1.00 1.00 O ATOM 79 CB THR A 0 15.652 -3.425 3.017 1.00 1.00 C ATOM 80 OG1 THR A 0 16.380 -4.113 4.045 1.00 1.00 O ATOM 81 CG2 THR A 0 14.156 -3.574 3.262 1.00 1.00 C ATOM 0 H THR A 0 14.682 -2.555 0.885 1.00 1.00 H new ATOM 0 HA THR A 0 17.126 -3.907 1.504 1.00 1.00 H new ATOM 0 HB THR A 0 15.906 -2.365 3.046 1.00 1.00 H new ATOM 0 HG1 THR A 0 16.122 -3.759 4.922 1.00 1.00 H new ATOM 0 HG21 THR A 0 13.909 -3.187 4.251 1.00 1.00 H new ATOM 0 HG22 THR A 0 13.606 -3.015 2.505 1.00 1.00 H new ATOM 0 HG23 THR A 0 13.881 -4.627 3.206 1.00 1.00 H new ATOM 89 N MET A 1 16.065 -6.238 2.462 1.00 1.00 N ATOM 90 CA MET A 1 15.789 -7.668 2.492 1.00 1.00 C ATOM 91 C MET A 1 14.291 -7.934 2.431 1.00 1.00 C ATOM 92 O MET A 1 13.529 -7.381 3.226 1.00 1.00 O ATOM 93 CB MET A 1 16.364 -8.280 3.769 1.00 1.00 C ATOM 94 CG MET A 1 16.129 -9.775 3.892 1.00 1.00 C ATOM 95 SD MET A 1 16.585 -10.412 5.515 1.00 1.00 S ATOM 96 CE MET A 1 15.415 -9.536 6.555 1.00 1.00 C ATOM 0 H MET A 1 16.616 -5.909 3.255 1.00 1.00 H new ATOM 0 HA MET A 1 16.259 -8.125 1.621 1.00 1.00 H new ATOM 0 HB2 MET A 1 17.436 -8.086 3.803 1.00 1.00 H new ATOM 0 HB3 MET A 1 15.922 -7.780 4.631 1.00 1.00 H new ATOM 0 HG2 MET A 1 15.078 -9.991 3.702 1.00 1.00 H new ATOM 0 HG3 MET A 1 16.705 -10.295 3.126 1.00 1.00 H new ATOM 0 HE1 MET A 1 15.233 -10.112 7.463 1.00 1.00 H new ATOM 0 HE2 MET A 1 15.823 -8.560 6.820 1.00 1.00 H new ATOM 0 HE3 MET A 1 14.477 -9.403 6.016 1.00 1.00 H new ATOM 106 N VAL A 2 13.899 -8.795 1.488 1.00 1.00 N ATOM 107 CA VAL A 2 12.496 -9.145 1.234 1.00 1.00 C ATOM 108 C VAL A 2 11.584 -7.913 1.299 1.00 1.00 C ATOM 109 O VAL A 2 10.586 -7.870 2.020 1.00 1.00 O ATOM 110 CB VAL A 2 11.996 -10.303 2.157 1.00 1.00 C ATOM 111 CG1 VAL A 2 11.962 -9.911 3.628 1.00 1.00 C ATOM 112 CG2 VAL A 2 10.634 -10.809 1.705 1.00 1.00 C ATOM 0 H VAL A 2 14.554 -9.275 0.871 1.00 1.00 H new ATOM 0 HA VAL A 2 12.444 -9.525 0.214 1.00 1.00 H new ATOM 0 HB VAL A 2 12.721 -11.111 2.062 1.00 1.00 H new ATOM 0 HG11 VAL A 2 11.607 -10.754 4.221 1.00 1.00 H new ATOM 0 HG12 VAL A 2 12.965 -9.635 3.954 1.00 1.00 H new ATOM 0 HG13 VAL A 2 11.290 -9.064 3.763 1.00 1.00 H new ATOM 0 HG21 VAL A 2 10.308 -11.614 2.363 1.00 1.00 H new ATOM 0 HG22 VAL A 2 9.912 -9.994 1.744 1.00 1.00 H new ATOM 0 HG23 VAL A 2 10.705 -11.182 0.683 1.00 1.00 H new ATOM 122 N ALA A 3 11.948 -6.901 0.525 1.00 1.00 N ATOM 123 CA ALA A 3 11.156 -5.686 0.444 1.00 1.00 C ATOM 124 C ALA A 3 9.898 -5.948 -0.360 1.00 1.00 C ATOM 125 O ALA A 3 9.928 -6.655 -1.373 1.00 1.00 O ATOM 126 CB ALA A 3 11.956 -4.552 -0.178 1.00 1.00 C ATOM 0 H ALA A 3 12.787 -6.899 -0.055 1.00 1.00 H new ATOM 0 HA ALA A 3 10.880 -5.385 1.454 1.00 1.00 H new ATOM 0 HB1 ALA A 3 11.339 -3.655 -0.226 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.838 -4.353 0.430 1.00 1.00 H new ATOM 0 HB3 ALA A 3 12.265 -4.834 -1.184 1.00 1.00 H new ATOM 132 N LEU A 4 8.794 -5.392 0.090 1.00 1.00 N ATOM 133 CA LEU A 4 7.525 -5.628 -0.560 1.00 1.00 C ATOM 134 C LEU A 4 7.238 -4.518 -1.556 1.00 1.00 C ATOM 135 O LEU A 4 6.834 -3.421 -1.180 1.00 1.00 O ATOM 136 CB LEU A 4 6.406 -5.702 0.482 1.00 1.00 C ATOM 137 CG LEU A 4 6.670 -6.641 1.663 1.00 1.00 C ATOM 138 CD1 LEU A 4 5.463 -6.683 2.583 1.00 1.00 C ATOM 139 CD2 LEU A 4 7.022 -8.040 1.178 1.00 1.00 C ATOM 0 H LEU A 4 8.750 -4.775 0.901 1.00 1.00 H new ATOM 0 HA LEU A 4 7.572 -6.578 -1.093 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.227 -4.699 0.870 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.490 -6.020 -0.015 1.00 1.00 H new ATOM 0 HG LEU A 4 7.522 -6.255 2.223 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.665 -7.354 3.418 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.260 -5.682 2.963 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.596 -7.043 2.029 1.00 1.00 H new ATOM 0 HD21 LEU A 4 7.205 -8.687 2.036 1.00 1.00 H new ATOM 0 HD22 LEU A 4 6.195 -8.440 0.591 1.00 1.00 H new ATOM 0 HD23 LEU A 4 7.918 -7.996 0.559 1.00 1.00 H new ATOM 151 N SER A 5 7.456 -4.798 -2.825 1.00 1.00 N ATOM 152 CA SER A 5 7.168 -3.834 -3.865 1.00 1.00 C ATOM 153 C SER A 5 5.778 -4.091 -4.426 1.00 1.00 C ATOM 154 O SER A 5 5.573 -5.023 -5.204 1.00 1.00 O ATOM 155 CB SER A 5 8.219 -3.924 -4.968 1.00 1.00 C ATOM 156 OG SER A 5 9.526 -3.813 -4.429 1.00 1.00 O ATOM 0 H SER A 5 7.832 -5.685 -3.160 1.00 1.00 H new ATOM 0 HA SER A 5 7.198 -2.828 -3.446 1.00 1.00 H new ATOM 0 HB2 SER A 5 8.118 -4.872 -5.496 1.00 1.00 H new ATOM 0 HB3 SER A 5 8.054 -3.133 -5.699 1.00 1.00 H new ATOM 0 HG SER A 5 10.184 -3.875 -5.152 1.00 1.00 H new ATOM 162 N LEU A 6 4.822 -3.279 -4.016 1.00 1.00 N ATOM 163 CA LEU A 6 3.452 -3.466 -4.447 1.00 1.00 C ATOM 164 C LEU A 6 3.068 -2.423 -5.472 1.00 1.00 C ATOM 165 O LEU A 6 3.628 -1.325 -5.507 1.00 1.00 O ATOM 166 CB LEU A 6 2.466 -3.410 -3.273 1.00 1.00 C ATOM 167 CG LEU A 6 2.452 -4.633 -2.348 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.652 -4.631 -1.420 1.00 1.00 C ATOM 169 CD2 LEU A 6 1.161 -4.673 -1.548 1.00 1.00 C ATOM 0 H LEU A 6 4.969 -2.488 -3.389 1.00 1.00 H new ATOM 0 HA LEU A 6 3.395 -4.459 -4.894 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.695 -2.529 -2.674 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.462 -3.271 -3.674 1.00 1.00 H new ATOM 0 HG LEU A 6 2.509 -5.528 -2.968 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.615 -5.510 -0.776 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.568 -4.651 -2.010 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.636 -3.730 -0.806 1.00 1.00 H new ATOM 0 HD21 LEU A 6 1.164 -5.546 -0.896 1.00 1.00 H new ATOM 0 HD22 LEU A 6 1.079 -3.769 -0.944 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.312 -4.732 -2.229 1.00 1.00 H new ATOM 181 N LYS A 7 2.116 -2.786 -6.300 1.00 1.00 N ATOM 182 CA LYS A 7 1.571 -1.883 -7.289 1.00 1.00 C ATOM 183 C LYS A 7 0.368 -1.179 -6.689 1.00 1.00 C ATOM 184 O LYS A 7 -0.695 -1.776 -6.520 1.00 1.00 O ATOM 185 CB LYS A 7 1.170 -2.655 -8.544 1.00 1.00 C ATOM 186 CG LYS A 7 2.308 -3.462 -9.147 1.00 1.00 C ATOM 187 CD LYS A 7 1.821 -4.322 -10.298 1.00 1.00 C ATOM 188 CE LYS A 7 2.939 -5.179 -10.870 1.00 1.00 C ATOM 189 NZ LYS A 7 2.445 -6.133 -11.896 1.00 1.00 N ATOM 0 H LYS A 7 1.697 -3.716 -6.308 1.00 1.00 H new ATOM 0 HA LYS A 7 2.322 -1.146 -7.574 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.347 -3.327 -8.300 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.798 -1.953 -9.290 1.00 1.00 H new ATOM 0 HG2 LYS A 7 3.089 -2.788 -9.498 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.755 -4.095 -8.380 1.00 1.00 H new ATOM 0 HD2 LYS A 7 1.009 -4.964 -9.955 1.00 1.00 H new ATOM 0 HD3 LYS A 7 1.413 -3.684 -11.082 1.00 1.00 H new ATOM 0 HE2 LYS A 7 3.699 -4.534 -11.312 1.00 1.00 H new ATOM 0 HE3 LYS A 7 3.420 -5.732 -10.063 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 3.241 -6.696 -12.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 1.738 -6.766 -11.470 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 2.009 -5.606 -12.679 1.00 1.00 H new ATOM 203 N ILE A 8 0.551 0.072 -6.331 1.00 1.00 N ATOM 204 CA ILE A 8 -0.485 0.823 -5.659 1.00 1.00 C ATOM 205 C ILE A 8 -1.223 1.712 -6.646 1.00 1.00 C ATOM 206 O ILE A 8 -0.666 2.676 -7.166 1.00 1.00 O ATOM 207 CB ILE A 8 0.096 1.689 -4.525 1.00 1.00 C ATOM 208 CG1 ILE A 8 0.979 0.845 -3.599 1.00 1.00 C ATOM 209 CG2 ILE A 8 -1.028 2.343 -3.737 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.249 -0.297 -2.925 1.00 1.00 C ATOM 0 H ILE A 8 1.412 0.593 -6.495 1.00 1.00 H new ATOM 0 HA ILE A 8 -1.181 0.105 -5.226 1.00 1.00 H new ATOM 0 HB ILE A 8 0.714 2.470 -4.967 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.811 0.441 -4.176 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.407 1.492 -2.833 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.606 2.953 -2.938 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.619 2.974 -4.401 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.667 1.572 -3.306 1.00 1.00 H new ATOM 0 HD11 ILE A 8 0.942 -0.846 -2.287 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.566 0.099 -2.319 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -0.156 -0.968 -3.683 1.00 1.00 H new ATOM 222 N SER A 9 -2.469 1.373 -6.912 1.00 1.00 N ATOM 223 CA SER A 9 -3.286 2.151 -7.818 1.00 1.00 C ATOM 224 C SER A 9 -3.906 3.324 -7.070 1.00 1.00 C ATOM 225 O SER A 9 -4.873 3.164 -6.322 1.00 1.00 O ATOM 226 CB SER A 9 -4.375 1.274 -8.442 1.00 1.00 C ATOM 227 OG SER A 9 -5.041 1.951 -9.497 1.00 1.00 O ATOM 0 H SER A 9 -2.938 0.561 -6.511 1.00 1.00 H new ATOM 0 HA SER A 9 -2.659 2.536 -8.622 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.931 0.354 -8.821 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.097 0.988 -7.677 1.00 1.00 H new ATOM 0 HG SER A 9 -5.729 1.367 -9.878 1.00 1.00 H new ATOM 233 N ILE A 10 -3.321 4.495 -7.249 1.00 1.00 N ATOM 234 CA ILE A 10 -3.827 5.707 -6.634 1.00 1.00 C ATOM 235 C ILE A 10 -4.917 6.303 -7.511 1.00 1.00 C ATOM 236 O ILE A 10 -4.631 6.989 -8.497 1.00 1.00 O ATOM 237 CB ILE A 10 -2.704 6.746 -6.418 1.00 1.00 C ATOM 238 CG1 ILE A 10 -1.620 6.176 -5.500 1.00 1.00 C ATOM 239 CG2 ILE A 10 -3.271 8.035 -5.830 1.00 1.00 C ATOM 240 CD1 ILE A 10 -0.332 6.969 -5.521 1.00 1.00 C ATOM 0 H ILE A 10 -2.488 4.631 -7.821 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.234 5.447 -5.657 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.257 6.975 -7.386 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -2.000 6.143 -4.479 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -1.409 5.148 -5.795 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -2.465 8.754 -5.685 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.011 8.452 -6.513 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -3.743 7.821 -4.871 1.00 1.00 H new ATOM 0 HD11 ILE A 10 0.390 6.508 -4.848 1.00 1.00 H new ATOM 0 HD12 ILE A 10 0.072 6.981 -6.533 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -0.529 7.991 -5.197 1.00 1.00 H new ATOM 252 N GLY A 11 -6.162 5.991 -7.180 1.00 1.00 N ATOM 253 CA GLY A 11 -7.282 6.474 -7.961 1.00 1.00 C ATOM 254 C GLY A 11 -7.451 5.695 -9.248 1.00 1.00 C ATOM 255 O GLY A 11 -8.333 4.848 -9.358 1.00 1.00 O ATOM 0 H GLY A 11 -6.417 5.410 -6.381 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.195 6.401 -7.370 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.135 7.529 -8.192 1.00 1.00 H new ATOM 259 N ASN A 12 -6.598 5.976 -10.220 1.00 1.00 N ATOM 260 CA ASN A 12 -6.631 5.271 -11.495 1.00 1.00 C ATOM 261 C ASN A 12 -5.220 5.117 -12.054 1.00 1.00 C ATOM 262 O ASN A 12 -5.033 4.720 -13.206 1.00 1.00 O ATOM 263 CB ASN A 12 -7.519 6.021 -12.498 1.00 1.00 C ATOM 264 CG ASN A 12 -6.877 7.289 -13.036 1.00 1.00 C ATOM 265 OD1 ASN A 12 -6.271 7.287 -14.108 1.00 1.00 O ATOM 266 ND2 ASN A 12 -6.994 8.379 -12.293 1.00 1.00 N ATOM 0 H ASN A 12 -5.872 6.689 -10.152 1.00 1.00 H new ATOM 0 HA ASN A 12 -7.051 4.279 -11.330 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -7.754 5.359 -13.331 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -8.464 6.276 -12.017 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -6.574 9.255 -12.604 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -7.504 8.342 -11.410 1.00 1.00 H new ATOM 273 N VAL A 13 -4.228 5.424 -11.228 1.00 1.00 N ATOM 274 CA VAL A 13 -2.836 5.374 -11.653 1.00 1.00 C ATOM 275 C VAL A 13 -2.054 4.364 -10.816 1.00 1.00 C ATOM 276 O VAL A 13 -1.931 4.514 -9.601 1.00 1.00 O ATOM 277 CB VAL A 13 -2.160 6.757 -11.543 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.760 6.717 -12.131 1.00 1.00 C ATOM 279 CG2 VAL A 13 -2.999 7.827 -12.227 1.00 1.00 C ATOM 0 H VAL A 13 -4.362 5.711 -10.258 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.829 5.065 -12.698 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.081 7.012 -10.486 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -0.300 7.702 -12.044 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.159 5.987 -11.590 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -0.815 6.434 -13.182 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -2.502 8.793 -12.136 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -3.117 7.578 -13.282 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -3.980 7.878 -11.754 1.00 1.00 H new ATOM 289 N VAL A 14 -1.521 3.345 -11.475 1.00 1.00 N ATOM 290 CA VAL A 14 -0.795 2.283 -10.790 1.00 1.00 C ATOM 291 C VAL A 14 0.660 2.682 -10.552 1.00 1.00 C ATOM 292 O VAL A 14 1.415 2.915 -11.496 1.00 1.00 O ATOM 293 CB VAL A 14 -0.835 0.966 -11.594 1.00 1.00 C ATOM 294 CG1 VAL A 14 -0.167 -0.157 -10.817 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.267 0.596 -11.949 1.00 1.00 C ATOM 0 H VAL A 14 -1.578 3.230 -12.487 1.00 1.00 H new ATOM 0 HA VAL A 14 -1.287 2.126 -9.830 1.00 1.00 H new ATOM 0 HB VAL A 14 -0.282 1.115 -12.521 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.206 -1.077 -11.401 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.873 0.105 -10.621 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.688 -0.305 -9.871 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.272 -0.335 -12.515 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.847 0.468 -11.035 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.709 1.390 -12.551 1.00 1.00 H new ATOM 305 N LYS A 15 1.046 2.751 -9.288 1.00 1.00 N ATOM 306 CA LYS A 15 2.397 3.146 -8.912 1.00 1.00 C ATOM 307 C LYS A 15 3.056 2.051 -8.082 1.00 1.00 C ATOM 308 O LYS A 15 2.547 1.674 -7.029 1.00 1.00 O ATOM 309 CB LYS A 15 2.371 4.440 -8.094 1.00 1.00 C ATOM 310 CG LYS A 15 1.783 5.645 -8.816 1.00 1.00 C ATOM 311 CD LYS A 15 2.664 6.114 -9.964 1.00 1.00 C ATOM 312 CE LYS A 15 2.195 7.462 -10.493 1.00 1.00 C ATOM 313 NZ LYS A 15 2.957 7.898 -11.693 1.00 1.00 N ATOM 0 H LYS A 15 0.438 2.537 -8.498 1.00 1.00 H new ATOM 0 HA LYS A 15 2.967 3.307 -9.827 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.798 4.265 -7.184 1.00 1.00 H new ATOM 0 HB3 LYS A 15 3.389 4.680 -7.788 1.00 1.00 H new ATOM 0 HG2 LYS A 15 0.795 5.390 -9.199 1.00 1.00 H new ATOM 0 HG3 LYS A 15 1.649 6.461 -8.106 1.00 1.00 H new ATOM 0 HD2 LYS A 15 3.698 6.191 -9.627 1.00 1.00 H new ATOM 0 HD3 LYS A 15 2.645 5.377 -10.767 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.135 7.403 -10.741 1.00 1.00 H new ATOM 0 HE3 LYS A 15 2.297 8.212 -9.709 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 2.600 8.820 -12.015 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 3.965 7.982 -11.452 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 2.839 7.197 -12.453 1.00 1.00 H new ATOM 327 N THR A 16 4.182 1.545 -8.547 1.00 1.00 N ATOM 328 CA THR A 16 4.907 0.524 -7.810 1.00 1.00 C ATOM 329 C THR A 16 5.800 1.178 -6.754 1.00 1.00 C ATOM 330 O THR A 16 6.611 2.056 -7.069 1.00 1.00 O ATOM 331 CB THR A 16 5.757 -0.348 -8.754 1.00 1.00 C ATOM 332 OG1 THR A 16 4.938 -0.852 -9.821 1.00 1.00 O ATOM 333 CG2 THR A 16 6.382 -1.516 -8.004 1.00 1.00 C ATOM 0 H THR A 16 4.615 1.822 -9.428 1.00 1.00 H new ATOM 0 HA THR A 16 4.179 -0.121 -7.319 1.00 1.00 H new ATOM 0 HB THR A 16 6.556 0.272 -9.161 1.00 1.00 H new ATOM 0 HG1 THR A 16 5.483 -1.404 -10.419 1.00 1.00 H new ATOM 0 HG21 THR A 16 6.976 -2.115 -8.694 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.023 -1.136 -7.208 1.00 1.00 H new ATOM 0 HG23 THR A 16 5.595 -2.134 -7.572 1.00 1.00 H new ATOM 341 N MET A 17 5.639 0.764 -5.503 1.00 1.00 N ATOM 342 CA MET A 17 6.370 1.372 -4.397 1.00 1.00 C ATOM 343 C MET A 17 7.041 0.302 -3.539 1.00 1.00 C ATOM 344 O MET A 17 6.610 -0.849 -3.524 1.00 1.00 O ATOM 345 CB MET A 17 5.418 2.213 -3.546 1.00 1.00 C ATOM 346 CG MET A 17 5.911 3.630 -3.297 1.00 1.00 C ATOM 347 SD MET A 17 7.360 3.686 -2.227 1.00 1.00 S ATOM 348 CE MET A 17 6.663 3.053 -0.707 1.00 1.00 C ATOM 0 H MET A 17 5.009 0.010 -5.229 1.00 1.00 H new ATOM 0 HA MET A 17 7.148 2.017 -4.806 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.447 2.257 -4.039 1.00 1.00 H new ATOM 0 HB3 MET A 17 5.267 1.717 -2.587 1.00 1.00 H new ATOM 0 HG2 MET A 17 6.151 4.099 -4.251 1.00 1.00 H new ATOM 0 HG3 MET A 17 5.109 4.215 -2.847 1.00 1.00 H new ATOM 0 HE1 MET A 17 7.313 3.314 0.128 1.00 1.00 H new ATOM 0 HE2 MET A 17 5.677 3.490 -0.549 1.00 1.00 H new ATOM 0 HE3 MET A 17 6.573 1.969 -0.772 1.00 1.00 H new ATOM 358 N GLN A 18 8.084 0.696 -2.816 1.00 1.00 N ATOM 359 CA GLN A 18 8.869 -0.234 -2.014 1.00 1.00 C ATOM 360 C GLN A 18 8.476 -0.155 -0.543 1.00 1.00 C ATOM 361 O GLN A 18 8.816 0.803 0.152 1.00 1.00 O ATOM 362 CB GLN A 18 10.357 0.080 -2.152 1.00 1.00 C ATOM 363 CG GLN A 18 10.893 -0.076 -3.564 1.00 1.00 C ATOM 364 CD GLN A 18 12.285 0.505 -3.723 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.663 0.958 -4.802 1.00 1.00 O ATOM 366 NE2 GLN A 18 13.060 0.505 -2.646 1.00 1.00 N ATOM 0 H GLN A 18 8.407 1.662 -2.770 1.00 1.00 H new ATOM 0 HA GLN A 18 8.669 -1.241 -2.379 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.535 1.102 -1.818 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.919 -0.575 -1.487 1.00 1.00 H new ATOM 0 HG2 GLN A 18 10.912 -1.133 -3.828 1.00 1.00 H new ATOM 0 HG3 GLN A 18 10.216 0.415 -4.263 1.00 1.00 H new ATOM 0 HE21 GLN A 18 12.712 0.121 -1.768 1.00 1.00 H new ATOM 0 HE22 GLN A 18 14.003 0.889 -2.697 1.00 1.00 H new ATOM 375 N PHE A 19 7.766 -1.164 -0.078 1.00 1.00 N ATOM 376 CA PHE A 19 7.375 -1.249 1.317 1.00 1.00 C ATOM 377 C PHE A 19 8.212 -2.306 2.023 1.00 1.00 C ATOM 378 O PHE A 19 9.039 -2.974 1.398 1.00 1.00 O ATOM 379 CB PHE A 19 5.893 -1.614 1.440 1.00 1.00 C ATOM 380 CG PHE A 19 4.958 -0.694 0.705 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.520 0.484 1.289 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.506 -1.016 -0.564 1.00 1.00 C ATOM 383 CE1 PHE A 19 3.653 1.324 0.617 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.636 -0.182 -1.237 1.00 1.00 C ATOM 385 CZ PHE A 19 3.209 0.990 -0.646 1.00 1.00 C ATOM 0 H PHE A 19 7.445 -1.944 -0.652 1.00 1.00 H new ATOM 0 HA PHE A 19 7.540 -0.277 1.781 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.750 -2.629 1.068 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.620 -1.620 2.495 1.00 1.00 H new ATOM 0 HD1 PHE A 19 4.860 0.748 2.280 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.838 -1.931 -1.033 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.323 2.242 1.080 1.00 1.00 H new ATOM 0 HE2 PHE A 19 3.290 -0.446 -2.225 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.529 1.644 -1.171 1.00 1.00 H new ATOM 395 N GLU A 20 7.997 -2.460 3.316 1.00 1.00 N ATOM 396 CA GLU A 20 8.668 -3.491 4.085 1.00 1.00 C ATOM 397 C GLU A 20 7.633 -4.358 4.791 1.00 1.00 C ATOM 398 O GLU A 20 6.511 -3.914 5.031 1.00 1.00 O ATOM 399 CB GLU A 20 9.616 -2.860 5.108 1.00 1.00 C ATOM 400 CG GLU A 20 10.707 -2.006 4.482 1.00 1.00 C ATOM 401 CD GLU A 20 11.591 -1.344 5.515 1.00 1.00 C ATOM 402 OE1 GLU A 20 12.607 -1.953 5.910 1.00 1.00 O ATOM 403 OE2 GLU A 20 11.272 -0.216 5.939 1.00 1.00 O ATOM 0 H GLU A 20 7.358 -1.879 3.859 1.00 1.00 H new ATOM 0 HA GLU A 20 9.255 -4.113 3.409 1.00 1.00 H new ATOM 0 HB2 GLU A 20 9.036 -2.246 5.797 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.079 -3.651 5.698 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.320 -2.627 3.829 1.00 1.00 H new ATOM 0 HG3 GLU A 20 10.250 -1.240 3.856 1.00 1.00 H new ATOM 410 N PRO A 21 7.977 -5.614 5.109 1.00 1.00 N ATOM 411 CA PRO A 21 7.082 -6.516 5.842 1.00 1.00 C ATOM 412 C PRO A 21 6.581 -5.906 7.151 1.00 1.00 C ATOM 413 O PRO A 21 5.407 -6.034 7.499 1.00 1.00 O ATOM 414 CB PRO A 21 7.957 -7.739 6.120 1.00 1.00 C ATOM 415 CG PRO A 21 8.978 -7.722 5.037 1.00 1.00 C ATOM 416 CD PRO A 21 9.249 -6.271 4.752 1.00 1.00 C ATOM 0 HA PRO A 21 6.180 -6.742 5.274 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.422 -7.679 7.104 1.00 1.00 H new ATOM 0 HB3 PRO A 21 7.372 -8.658 6.099 1.00 1.00 H new ATOM 0 HG2 PRO A 21 9.887 -8.236 5.349 1.00 1.00 H new ATOM 0 HG3 PRO A 21 8.612 -8.234 4.147 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.079 -5.892 5.348 1.00 1.00 H new ATOM 0 HD3 PRO A 21 9.507 -6.107 3.706 1.00 1.00 H new ATOM 424 N SER A 22 7.469 -5.216 7.856 1.00 1.00 N ATOM 425 CA SER A 22 7.133 -4.632 9.146 1.00 1.00 C ATOM 426 C SER A 22 6.402 -3.294 8.979 1.00 1.00 C ATOM 427 O SER A 22 6.083 -2.619 9.961 1.00 1.00 O ATOM 428 CB SER A 22 8.405 -4.448 9.973 1.00 1.00 C ATOM 429 OG SER A 22 8.116 -4.126 11.326 1.00 1.00 O ATOM 0 H SER A 22 8.429 -5.048 7.554 1.00 1.00 H new ATOM 0 HA SER A 22 6.459 -5.312 9.668 1.00 1.00 H new ATOM 0 HB2 SER A 22 8.997 -5.362 9.936 1.00 1.00 H new ATOM 0 HB3 SER A 22 9.012 -3.657 9.533 1.00 1.00 H new ATOM 0 HG SER A 22 7.390 -3.468 11.358 1.00 1.00 H new ATOM 435 N THR A 23 6.135 -2.915 7.737 1.00 1.00 N ATOM 436 CA THR A 23 5.422 -1.681 7.458 1.00 1.00 C ATOM 437 C THR A 23 3.928 -1.855 7.704 1.00 1.00 C ATOM 438 O THR A 23 3.285 -2.714 7.099 1.00 1.00 O ATOM 439 CB THR A 23 5.656 -1.221 6.005 1.00 1.00 C ATOM 440 OG1 THR A 23 7.053 -0.998 5.790 1.00 1.00 O ATOM 441 CG2 THR A 23 4.884 0.052 5.697 1.00 1.00 C ATOM 0 H THR A 23 6.402 -3.446 6.908 1.00 1.00 H new ATOM 0 HA THR A 23 5.809 -0.918 8.133 1.00 1.00 H new ATOM 0 HB THR A 23 5.298 -2.006 5.339 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.348 -0.230 6.323 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.070 0.350 4.665 1.00 1.00 H new ATOM 0 HG22 THR A 23 3.818 -0.126 5.836 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.210 0.846 6.368 1.00 1.00 H new ATOM 449 N MET A 24 3.393 -1.051 8.610 1.00 1.00 N ATOM 450 CA MET A 24 1.970 -1.073 8.912 1.00 1.00 C ATOM 451 C MET A 24 1.198 -0.282 7.870 1.00 1.00 C ATOM 452 O MET A 24 1.764 0.570 7.193 1.00 1.00 O ATOM 453 CB MET A 24 1.693 -0.516 10.309 1.00 1.00 C ATOM 454 CG MET A 24 2.250 0.877 10.557 1.00 1.00 C ATOM 455 SD MET A 24 4.037 0.887 10.806 1.00 1.00 S ATOM 456 CE MET A 24 4.181 -0.152 12.257 1.00 1.00 C ATOM 0 H MET A 24 3.927 -0.371 9.152 1.00 1.00 H new ATOM 0 HA MET A 24 1.637 -2.111 8.889 1.00 1.00 H new ATOM 0 HB2 MET A 24 0.615 -0.496 10.471 1.00 1.00 H new ATOM 0 HB3 MET A 24 2.114 -1.198 11.048 1.00 1.00 H new ATOM 0 HG2 MET A 24 2.003 1.517 9.710 1.00 1.00 H new ATOM 0 HG3 MET A 24 1.764 1.306 11.433 1.00 1.00 H new ATOM 0 HE1 MET A 24 5.088 0.108 12.802 1.00 1.00 H new ATOM 0 HE2 MET A 24 3.315 0.000 12.901 1.00 1.00 H new ATOM 0 HE3 MET A 24 4.227 -1.198 11.953 1.00 1.00 H new ATOM 466 N VAL A 25 -0.090 -0.560 7.757 1.00 1.00 N ATOM 467 CA VAL A 25 -0.922 0.031 6.716 1.00 1.00 C ATOM 468 C VAL A 25 -0.906 1.563 6.745 1.00 1.00 C ATOM 469 O VAL A 25 -0.728 2.192 5.704 1.00 1.00 O ATOM 470 CB VAL A 25 -2.370 -0.488 6.804 1.00 1.00 C ATOM 471 CG1 VAL A 25 -3.263 0.189 5.771 1.00 1.00 C ATOM 472 CG2 VAL A 25 -2.387 -1.997 6.618 1.00 1.00 C ATOM 0 H VAL A 25 -0.588 -1.197 8.379 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.490 -0.279 5.764 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.764 -0.245 7.791 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -4.278 -0.198 5.858 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.269 1.265 5.945 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.881 -0.015 4.771 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -3.413 -2.360 6.681 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.973 -2.248 5.642 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.788 -2.467 7.398 1.00 1.00 H new ATOM 482 N TYR A 26 -1.064 2.175 7.920 1.00 1.00 N ATOM 483 CA TYR A 26 -1.071 3.640 7.987 1.00 1.00 C ATOM 484 C TYR A 26 0.310 4.201 7.668 1.00 1.00 C ATOM 485 O TYR A 26 0.442 5.345 7.232 1.00 1.00 O ATOM 486 CB TYR A 26 -1.569 4.166 9.346 1.00 1.00 C ATOM 487 CG TYR A 26 -0.667 3.880 10.532 1.00 1.00 C ATOM 488 CD1 TYR A 26 0.410 4.709 10.830 1.00 1.00 C ATOM 489 CD2 TYR A 26 -0.904 2.794 11.363 1.00 1.00 C ATOM 490 CE1 TYR A 26 1.222 4.458 11.918 1.00 1.00 C ATOM 491 CE2 TYR A 26 -0.097 2.539 12.452 1.00 1.00 C ATOM 492 CZ TYR A 26 0.964 3.372 12.725 1.00 1.00 C ATOM 493 OH TYR A 26 1.772 3.117 13.808 1.00 1.00 O ATOM 0 H TYR A 26 -1.185 1.698 8.814 1.00 1.00 H new ATOM 0 HA TYR A 26 -1.777 3.988 7.233 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -1.707 5.245 9.269 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.549 3.733 9.546 1.00 1.00 H new ATOM 0 HD1 TYR A 26 0.614 5.562 10.200 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -1.735 2.137 11.153 1.00 1.00 H new ATOM 0 HE1 TYR A 26 2.055 5.110 12.135 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -0.297 1.689 13.088 1.00 1.00 H new ATOM 0 HH TYR A 26 1.453 2.316 14.273 1.00 1.00 H new ATOM 503 N ASP A 27 1.336 3.389 7.873 1.00 1.00 N ATOM 504 CA ASP A 27 2.700 3.801 7.537 1.00 1.00 C ATOM 505 C ASP A 27 2.941 3.602 6.052 1.00 1.00 C ATOM 506 O ASP A 27 3.641 4.379 5.413 1.00 1.00 O ATOM 507 CB ASP A 27 3.743 3.030 8.341 1.00 1.00 C ATOM 508 CG ASP A 27 5.160 3.500 8.055 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.538 4.589 8.536 1.00 1.00 O ATOM 510 OD2 ASP A 27 5.903 2.788 7.353 1.00 1.00 O ATOM 0 H ASP A 27 1.258 2.451 8.265 1.00 1.00 H new ATOM 0 HA ASP A 27 2.803 4.856 7.792 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.534 3.143 9.405 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.662 1.968 8.111 1.00 1.00 H new ATOM 515 N ALA A 28 2.350 2.548 5.512 1.00 1.00 N ATOM 516 CA ALA A 28 2.360 2.321 4.073 1.00 1.00 C ATOM 517 C ALA A 28 1.703 3.495 3.342 1.00 1.00 C ATOM 518 O ALA A 28 2.186 3.940 2.301 1.00 1.00 O ATOM 519 CB ALA A 28 1.665 1.011 3.738 1.00 1.00 C ATOM 0 H ALA A 28 1.856 1.834 6.048 1.00 1.00 H new ATOM 0 HA ALA A 28 3.395 2.250 3.737 1.00 1.00 H new ATOM 0 HB1 ALA A 28 1.681 0.856 2.659 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.183 0.188 4.230 1.00 1.00 H new ATOM 0 HB3 ALA A 28 0.632 1.048 4.084 1.00 1.00 H new ATOM 525 N CYS A 29 0.605 3.999 3.901 1.00 1.00 N ATOM 526 CA CYS A 29 -0.037 5.201 3.377 1.00 1.00 C ATOM 527 C CYS A 29 0.899 6.402 3.513 1.00 1.00 C ATOM 528 O CYS A 29 0.953 7.270 2.640 1.00 1.00 O ATOM 529 CB CYS A 29 -1.352 5.474 4.114 1.00 1.00 C ATOM 530 SG CYS A 29 -2.578 4.156 3.955 1.00 1.00 S ATOM 0 H CYS A 29 0.143 3.594 4.715 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.257 5.041 2.321 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -1.137 5.630 5.171 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -1.781 6.402 3.736 1.00 1.00 H new ATOM 0 HG CYS A 29 -2.170 3.104 4.600 1.00 1.00 H new ATOM 536 N ARG A 30 1.645 6.434 4.613 1.00 1.00 N ATOM 537 CA ARG A 30 2.651 7.464 4.836 1.00 1.00 C ATOM 538 C ARG A 30 3.738 7.383 3.765 1.00 1.00 C ATOM 539 O ARG A 30 4.214 8.401 3.269 1.00 1.00 O ATOM 540 CB ARG A 30 3.260 7.307 6.233 1.00 1.00 C ATOM 541 CG ARG A 30 4.453 8.211 6.500 1.00 1.00 C ATOM 542 CD ARG A 30 5.063 7.928 7.864 1.00 1.00 C ATOM 543 NE ARG A 30 4.170 8.318 8.958 1.00 1.00 N ATOM 544 CZ ARG A 30 3.976 7.591 10.059 1.00 1.00 C ATOM 545 NH1 ARG A 30 4.526 6.390 10.172 1.00 1.00 N ATOM 546 NH2 ARG A 30 3.202 8.051 11.037 1.00 1.00 N ATOM 0 H ARG A 30 1.570 5.753 5.368 1.00 1.00 H new ATOM 0 HA ARG A 30 2.176 8.443 4.770 1.00 1.00 H new ATOM 0 HB2 ARG A 30 2.490 7.511 6.977 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.567 6.270 6.368 1.00 1.00 H new ATOM 0 HG2 ARG A 30 5.205 8.064 5.725 1.00 1.00 H new ATOM 0 HG3 ARG A 30 4.141 9.254 6.447 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.292 6.865 7.945 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.007 8.466 7.957 1.00 1.00 H new ATOM 0 HE ARG A 30 3.665 9.200 8.872 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.100 6.019 9.415 1.00 1.00 H new ATOM 0 HH12 ARG A 30 4.375 5.837 11.016 1.00 1.00 H new ATOM 0 HH21 ARG A 30 2.754 8.963 10.947 1.00 1.00 H new ATOM 0 HH22 ARG A 30 3.056 7.492 11.878 1.00 1.00 H new ATOM 560 N MET A 31 4.109 6.163 3.404 1.00 1.00 N ATOM 561 CA MET A 31 5.097 5.944 2.356 1.00 1.00 C ATOM 562 C MET A 31 4.579 6.428 1.008 1.00 1.00 C ATOM 563 O MET A 31 5.328 7.008 0.227 1.00 1.00 O ATOM 564 CB MET A 31 5.478 4.468 2.257 1.00 1.00 C ATOM 565 CG MET A 31 6.273 3.953 3.442 1.00 1.00 C ATOM 566 SD MET A 31 6.899 2.285 3.169 1.00 1.00 S ATOM 567 CE MET A 31 7.784 2.008 4.700 1.00 1.00 C ATOM 0 H MET A 31 3.741 5.308 3.822 1.00 1.00 H new ATOM 0 HA MET A 31 5.984 6.519 2.622 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.569 3.875 2.158 1.00 1.00 H new ATOM 0 HB3 MET A 31 6.060 4.314 1.348 1.00 1.00 H new ATOM 0 HG2 MET A 31 7.109 4.625 3.637 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.643 3.962 4.331 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.482 1.180 4.572 1.00 1.00 H new ATOM 0 HE2 MET A 31 8.335 2.909 4.970 1.00 1.00 H new ATOM 0 HE3 MET A 31 7.075 1.766 5.492 1.00 1.00 H new ATOM 577 N ILE A 32 3.299 6.195 0.739 1.00 1.00 N ATOM 578 CA ILE A 32 2.690 6.644 -0.509 1.00 1.00 C ATOM 579 C ILE A 32 2.741 8.165 -0.630 1.00 1.00 C ATOM 580 O ILE A 32 3.160 8.694 -1.658 1.00 1.00 O ATOM 581 CB ILE A 32 1.227 6.139 -0.663 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.218 4.672 -1.107 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.441 7.003 -1.645 1.00 1.00 C ATOM 584 CD1 ILE A 32 1.824 4.448 -2.476 1.00 1.00 C ATOM 0 H ILE A 32 2.664 5.700 1.365 1.00 1.00 H new ATOM 0 HA ILE A 32 3.276 6.209 -1.318 1.00 1.00 H new ATOM 0 HB ILE A 32 0.738 6.216 0.308 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.764 4.077 -0.375 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.190 4.309 -1.110 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.577 6.623 -1.730 1.00 1.00 H new ATOM 0 HG22 ILE A 32 0.416 8.032 -1.285 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.922 6.972 -2.623 1.00 1.00 H new ATOM 0 HD11 ILE A 32 1.783 3.387 -2.723 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.264 5.016 -3.219 1.00 1.00 H new ATOM 0 HD13 ILE A 32 2.862 4.780 -2.473 1.00 1.00 H new ATOM 596 N ARG A 33 2.353 8.862 0.430 1.00 1.00 N ATOM 597 CA ARG A 33 2.301 10.320 0.399 1.00 1.00 C ATOM 598 C ARG A 33 3.701 10.941 0.398 1.00 1.00 C ATOM 599 O ARG A 33 3.896 12.026 -0.145 1.00 1.00 O ATOM 600 CB ARG A 33 1.468 10.861 1.568 1.00 1.00 C ATOM 601 CG ARG A 33 1.951 10.418 2.936 1.00 1.00 C ATOM 602 CD ARG A 33 0.995 10.851 4.035 1.00 1.00 C ATOM 603 NE ARG A 33 1.001 12.299 4.244 1.00 1.00 N ATOM 604 CZ ARG A 33 -0.060 13.085 4.081 1.00 1.00 C ATOM 605 NH1 ARG A 33 -1.196 12.597 3.592 1.00 1.00 N ATOM 606 NH2 ARG A 33 0.025 14.370 4.381 1.00 1.00 N ATOM 0 H ARG A 33 2.071 8.446 1.317 1.00 1.00 H new ATOM 0 HA ARG A 33 1.816 10.607 -0.534 1.00 1.00 H new ATOM 0 HB2 ARG A 33 1.473 11.950 1.529 1.00 1.00 H new ATOM 0 HB3 ARG A 33 0.434 10.542 1.440 1.00 1.00 H new ATOM 0 HG2 ARG A 33 2.056 9.333 2.951 1.00 1.00 H new ATOM 0 HG3 ARG A 33 2.939 10.837 3.127 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -0.015 10.528 3.782 1.00 1.00 H new ATOM 0 HD3 ARG A 33 1.266 10.352 4.965 1.00 1.00 H new ATOM 0 HE ARG A 33 1.877 12.735 4.534 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -1.260 11.611 3.338 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -2.003 13.208 3.471 1.00 1.00 H new ATOM 0 HH21 ARG A 33 0.901 14.754 4.735 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -0.785 14.977 4.258 1.00 1.00 H new ATOM 620 N GLU A 34 4.674 10.262 0.998 1.00 1.00 N ATOM 621 CA GLU A 34 6.034 10.788 1.037 1.00 1.00 C ATOM 622 C GLU A 34 6.760 10.513 -0.281 1.00 1.00 C ATOM 623 O GLU A 34 7.615 11.290 -0.709 1.00 1.00 O ATOM 624 CB GLU A 34 6.822 10.196 2.208 1.00 1.00 C ATOM 625 CG GLU A 34 7.342 8.805 1.937 1.00 1.00 C ATOM 626 CD GLU A 34 8.441 8.395 2.889 1.00 1.00 C ATOM 627 OE1 GLU A 34 9.500 9.059 2.899 1.00 1.00 O ATOM 628 OE2 GLU A 34 8.256 7.417 3.637 1.00 1.00 O ATOM 0 H GLU A 34 4.550 9.360 1.457 1.00 1.00 H new ATOM 0 HA GLU A 34 5.968 11.866 1.180 1.00 1.00 H new ATOM 0 HB2 GLU A 34 7.662 10.851 2.440 1.00 1.00 H new ATOM 0 HB3 GLU A 34 6.183 10.172 3.091 1.00 1.00 H new ATOM 0 HG2 GLU A 34 6.519 8.094 2.011 1.00 1.00 H new ATOM 0 HG3 GLU A 34 7.716 8.755 0.914 1.00 1.00 H new ATOM 635 N ARG A 35 6.406 9.405 -0.919 1.00 1.00 N ATOM 636 CA ARG A 35 7.038 8.992 -2.166 1.00 1.00 C ATOM 637 C ARG A 35 6.410 9.720 -3.345 1.00 1.00 C ATOM 638 O ARG A 35 7.109 10.278 -4.194 1.00 1.00 O ATOM 639 CB ARG A 35 6.873 7.480 -2.346 1.00 1.00 C ATOM 640 CG ARG A 35 7.530 6.910 -3.594 1.00 1.00 C ATOM 641 CD ARG A 35 9.045 6.897 -3.480 1.00 1.00 C ATOM 642 NE ARG A 35 9.653 5.995 -4.457 1.00 1.00 N ATOM 643 CZ ARG A 35 10.964 5.786 -4.563 1.00 1.00 C ATOM 644 NH1 ARG A 35 11.815 6.455 -3.797 1.00 1.00 N ATOM 645 NH2 ARG A 35 11.431 4.909 -5.443 1.00 1.00 N ATOM 0 H ARG A 35 5.678 8.771 -0.590 1.00 1.00 H new ATOM 0 HA ARG A 35 8.098 9.242 -2.125 1.00 1.00 H new ATOM 0 HB2 ARG A 35 7.288 6.977 -1.472 1.00 1.00 H new ATOM 0 HB3 ARG A 35 5.809 7.246 -2.374 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.170 5.895 -3.763 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.236 7.501 -4.461 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.430 7.906 -3.628 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.332 6.591 -2.474 1.00 1.00 H new ATOM 0 HE ARG A 35 9.035 5.495 -5.097 1.00 1.00 H new ATOM 0 HH11 ARG A 35 11.467 7.135 -3.121 1.00 1.00 H new ATOM 0 HH12 ARG A 35 12.818 6.290 -3.884 1.00 1.00 H new ATOM 0 HH21 ARG A 35 10.785 4.393 -6.041 1.00 1.00 H new ATOM 0 HH22 ARG A 35 12.436 4.751 -5.522 1.00 1.00 H new ATOM 659 N ILE A 36 5.088 9.715 -3.377 1.00 1.00 N ATOM 660 CA ILE A 36 4.338 10.250 -4.499 1.00 1.00 C ATOM 661 C ILE A 36 3.502 11.445 -4.059 1.00 1.00 C ATOM 662 O ILE A 36 2.630 11.316 -3.202 1.00 1.00 O ATOM 663 CB ILE A 36 3.409 9.169 -5.089 1.00 1.00 C ATOM 664 CG1 ILE A 36 4.203 7.887 -5.354 1.00 1.00 C ATOM 665 CG2 ILE A 36 2.751 9.666 -6.370 1.00 1.00 C ATOM 666 CD1 ILE A 36 3.340 6.690 -5.676 1.00 1.00 C ATOM 0 H ILE A 36 4.506 9.341 -2.627 1.00 1.00 H new ATOM 0 HA ILE A 36 5.049 10.569 -5.261 1.00 1.00 H new ATOM 0 HB ILE A 36 2.622 8.952 -4.367 1.00 1.00 H new ATOM 0 HG12 ILE A 36 4.890 8.061 -6.182 1.00 1.00 H new ATOM 0 HG13 ILE A 36 4.811 7.660 -4.478 1.00 1.00 H new ATOM 0 HG21 ILE A 36 2.100 8.889 -6.770 1.00 1.00 H new ATOM 0 HG22 ILE A 36 2.162 10.557 -6.154 1.00 1.00 H new ATOM 0 HG23 ILE A 36 3.520 9.908 -7.104 1.00 1.00 H new ATOM 0 HD11 ILE A 36 3.974 5.821 -5.851 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.671 6.488 -4.840 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.751 6.896 -6.570 1.00 1.00 H new ATOM 678 N PRO A 37 3.740 12.623 -4.653 1.00 1.00 N ATOM 679 CA PRO A 37 3.031 13.853 -4.286 1.00 1.00 C ATOM 680 C PRO A 37 1.617 13.862 -4.844 1.00 1.00 C ATOM 681 O PRO A 37 0.749 14.603 -4.381 1.00 1.00 O ATOM 682 CB PRO A 37 3.865 14.930 -4.973 1.00 1.00 C ATOM 683 CG PRO A 37 4.320 14.249 -6.210 1.00 1.00 C ATOM 684 CD PRO A 37 4.696 12.864 -5.757 1.00 1.00 C ATOM 0 HA PRO A 37 2.930 13.981 -3.208 1.00 1.00 H new ATOM 0 HB2 PRO A 37 3.275 15.820 -5.194 1.00 1.00 H new ATOM 0 HB3 PRO A 37 4.704 15.249 -4.354 1.00 1.00 H new ATOM 0 HG2 PRO A 37 3.531 14.221 -6.962 1.00 1.00 H new ATOM 0 HG3 PRO A 37 5.169 14.765 -6.658 1.00 1.00 H new ATOM 0 HD2 PRO A 37 4.587 12.131 -6.556 1.00 1.00 H new ATOM 0 HD3 PRO A 37 5.731 12.814 -5.417 1.00 1.00 H new ATOM 692 N GLU A 38 1.398 13.007 -5.834 1.00 1.00 N ATOM 693 CA GLU A 38 0.159 12.990 -6.583 1.00 1.00 C ATOM 694 C GLU A 38 -1.014 12.591 -5.687 1.00 1.00 C ATOM 695 O GLU A 38 -2.134 13.070 -5.858 1.00 1.00 O ATOM 696 CB GLU A 38 0.278 12.020 -7.762 1.00 1.00 C ATOM 697 CG GLU A 38 -0.898 12.071 -8.724 1.00 1.00 C ATOM 698 CD GLU A 38 -0.790 11.043 -9.832 1.00 1.00 C ATOM 699 OE1 GLU A 38 0.079 11.201 -10.718 1.00 1.00 O ATOM 700 OE2 GLU A 38 -1.580 10.079 -9.826 1.00 1.00 O ATOM 0 H GLU A 38 2.077 12.308 -6.137 1.00 1.00 H new ATOM 0 HA GLU A 38 -0.030 13.994 -6.962 1.00 1.00 H new ATOM 0 HB2 GLU A 38 1.193 12.242 -8.311 1.00 1.00 H new ATOM 0 HB3 GLU A 38 0.375 11.005 -7.376 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -1.823 11.907 -8.171 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -0.961 13.067 -9.162 1.00 1.00 H new ATOM 707 N ALA A 39 -0.735 11.731 -4.712 1.00 1.00 N ATOM 708 CA ALA A 39 -1.770 11.189 -3.840 1.00 1.00 C ATOM 709 C ALA A 39 -2.244 12.205 -2.803 1.00 1.00 C ATOM 710 O ALA A 39 -3.279 12.006 -2.164 1.00 1.00 O ATOM 711 CB ALA A 39 -1.250 9.943 -3.144 1.00 1.00 C ATOM 0 H ALA A 39 0.205 11.393 -4.506 1.00 1.00 H new ATOM 0 HA ALA A 39 -2.628 10.938 -4.464 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -2.025 9.540 -2.493 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -0.978 9.196 -3.890 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -0.373 10.198 -2.549 1.00 1.00 H new ATOM 717 N LEU A 40 -1.490 13.284 -2.638 1.00 1.00 N ATOM 718 CA LEU A 40 -1.794 14.283 -1.624 1.00 1.00 C ATOM 719 C LEU A 40 -3.065 15.052 -1.957 1.00 1.00 C ATOM 720 O LEU A 40 -3.066 15.944 -2.803 1.00 1.00 O ATOM 721 CB LEU A 40 -0.622 15.249 -1.452 1.00 1.00 C ATOM 722 CG LEU A 40 0.537 14.731 -0.597 1.00 1.00 C ATOM 723 CD1 LEU A 40 0.072 14.485 0.829 1.00 1.00 C ATOM 724 CD2 LEU A 40 1.133 13.461 -1.180 1.00 1.00 C ATOM 0 H LEU A 40 -0.661 13.489 -3.196 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.959 13.755 -0.684 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -0.237 15.505 -2.439 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -0.996 16.171 -1.007 1.00 1.00 H new ATOM 0 HG LEU A 40 1.314 15.495 -0.592 1.00 1.00 H new ATOM 0 HD11 LEU A 40 0.907 14.117 1.425 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -0.297 15.417 1.257 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -0.728 13.744 0.828 1.00 1.00 H new ATOM 0 HD21 LEU A 40 1.953 13.121 -0.548 1.00 1.00 H new ATOM 0 HD22 LEU A 40 0.366 12.688 -1.227 1.00 1.00 H new ATOM 0 HD23 LEU A 40 1.508 13.662 -2.184 1.00 1.00 H new ATOM 736 N ALA A 41 -4.145 14.672 -1.296 1.00 1.00 N ATOM 737 CA ALA A 41 -5.420 15.356 -1.431 1.00 1.00 C ATOM 738 C ALA A 41 -6.123 15.390 -0.084 1.00 1.00 C ATOM 739 O ALA A 41 -7.324 15.651 0.009 1.00 1.00 O ATOM 740 CB ALA A 41 -6.287 14.658 -2.468 1.00 1.00 C ATOM 0 H ALA A 41 -4.163 13.882 -0.651 1.00 1.00 H new ATOM 0 HA ALA A 41 -5.245 16.378 -1.766 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -7.239 15.181 -2.558 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -5.777 14.663 -3.431 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -6.467 13.629 -2.158 1.00 1.00 H new ATOM 746 N GLY A 42 -5.351 15.135 0.963 1.00 1.00 N ATOM 747 CA GLY A 42 -5.892 15.055 2.299 1.00 1.00 C ATOM 748 C GLY A 42 -5.027 14.192 3.195 1.00 1.00 C ATOM 749 O GLY A 42 -3.992 13.684 2.753 1.00 1.00 O ATOM 0 H GLY A 42 -4.344 14.980 0.905 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -5.971 16.057 2.722 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.901 14.645 2.261 1.00 1.00 H new ATOM 753 N PRO A 43 -5.424 14.000 4.459 1.00 1.00 N ATOM 754 CA PRO A 43 -4.660 13.211 5.418 1.00 1.00 C ATOM 755 C PRO A 43 -4.817 11.724 5.190 1.00 1.00 C ATOM 756 O PRO A 43 -5.854 11.253 4.721 1.00 1.00 O ATOM 757 CB PRO A 43 -5.225 13.631 6.782 1.00 1.00 C ATOM 758 CG PRO A 43 -6.264 14.674 6.504 1.00 1.00 C ATOM 759 CD PRO A 43 -6.646 14.533 5.060 1.00 1.00 C ATOM 0 HA PRO A 43 -3.589 13.392 5.332 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -5.660 12.778 7.302 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -4.438 14.028 7.423 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -7.132 14.536 7.149 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -5.873 15.672 6.705 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -7.491 13.857 4.928 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -6.931 15.489 4.620 1.00 1.00 H new ATOM 767 N PRO A 44 -3.774 10.961 5.536 1.00 1.00 N ATOM 768 CA PRO A 44 -3.671 9.564 5.154 1.00 1.00 C ATOM 769 C PRO A 44 -4.740 8.673 5.789 1.00 1.00 C ATOM 770 O PRO A 44 -5.077 7.622 5.249 1.00 1.00 O ATOM 771 CB PRO A 44 -2.273 9.152 5.622 1.00 1.00 C ATOM 772 CG PRO A 44 -1.915 10.131 6.684 1.00 1.00 C ATOM 773 CD PRO A 44 -2.614 11.411 6.328 1.00 1.00 C ATOM 0 HA PRO A 44 -3.827 9.444 4.082 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -2.271 8.133 6.009 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -1.557 9.182 4.800 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -2.231 9.775 7.664 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -0.836 10.277 6.731 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -2.924 11.960 7.217 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -1.968 12.074 5.753 1.00 1.00 H new ATOM 781 N ASN A 45 -5.285 9.102 6.924 1.00 1.00 N ATOM 782 CA ASN A 45 -6.294 8.312 7.630 1.00 1.00 C ATOM 783 C ASN A 45 -7.673 8.530 7.006 1.00 1.00 C ATOM 784 O ASN A 45 -8.604 7.751 7.224 1.00 1.00 O ATOM 785 CB ASN A 45 -6.322 8.674 9.118 1.00 1.00 C ATOM 786 CG ASN A 45 -7.139 7.700 9.947 1.00 1.00 C ATOM 787 OD1 ASN A 45 -7.205 6.508 9.644 1.00 1.00 O ATOM 788 ND2 ASN A 45 -7.769 8.199 10.997 1.00 1.00 N ATOM 0 H ASN A 45 -5.048 9.986 7.374 1.00 1.00 H new ATOM 0 HA ASN A 45 -6.030 7.259 7.537 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -5.301 8.701 9.500 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -6.733 9.677 9.235 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -8.335 7.591 11.589 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -7.689 9.192 11.215 1.00 1.00 H new ATOM 795 N ASP A 46 -7.797 9.596 6.225 1.00 1.00 N ATOM 796 CA ASP A 46 -9.026 9.865 5.488 1.00 1.00 C ATOM 797 C ASP A 46 -9.031 9.061 4.199 1.00 1.00 C ATOM 798 O ASP A 46 -10.078 8.806 3.602 1.00 1.00 O ATOM 799 CB ASP A 46 -9.169 11.359 5.190 1.00 1.00 C ATOM 800 CG ASP A 46 -9.630 12.150 6.399 1.00 1.00 C ATOM 801 OD1 ASP A 46 -8.824 12.361 7.328 1.00 1.00 O ATOM 802 OD2 ASP A 46 -10.804 12.578 6.421 1.00 1.00 O ATOM 0 H ASP A 46 -7.061 10.289 6.085 1.00 1.00 H new ATOM 0 HA ASP A 46 -9.876 9.566 6.101 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -8.212 11.751 4.847 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -9.881 11.498 4.376 1.00 1.00 H new ATOM 807 N PHE A 47 -7.839 8.669 3.778 1.00 1.00 N ATOM 808 CA PHE A 47 -7.675 7.733 2.682 1.00 1.00 C ATOM 809 C PHE A 47 -7.552 6.329 3.252 1.00 1.00 C ATOM 810 O PHE A 47 -7.838 6.110 4.428 1.00 1.00 O ATOM 811 CB PHE A 47 -6.431 8.075 1.857 1.00 1.00 C ATOM 812 CG PHE A 47 -6.547 9.355 1.082 1.00 1.00 C ATOM 813 CD1 PHE A 47 -6.195 10.564 1.657 1.00 1.00 C ATOM 814 CD2 PHE A 47 -7.001 9.345 -0.225 1.00 1.00 C ATOM 815 CE1 PHE A 47 -6.297 11.741 0.942 1.00 1.00 C ATOM 816 CE2 PHE A 47 -7.106 10.519 -0.945 1.00 1.00 C ATOM 817 CZ PHE A 47 -6.754 11.718 -0.360 1.00 1.00 C ATOM 0 H PHE A 47 -6.961 8.991 4.186 1.00 1.00 H new ATOM 0 HA PHE A 47 -8.542 7.794 2.024 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -5.572 8.143 2.525 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.232 7.258 1.163 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -5.837 10.587 2.676 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -7.276 8.409 -0.687 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -6.019 12.678 1.401 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -7.463 10.499 -1.964 1.00 1.00 H new ATOM 0 HZ PHE A 47 -6.836 12.638 -0.920 1.00 1.00 H new ATOM 827 N GLY A 48 -7.159 5.383 2.427 1.00 1.00 N ATOM 828 CA GLY A 48 -6.912 4.047 2.913 1.00 1.00 C ATOM 829 C GLY A 48 -6.333 3.149 1.847 1.00 1.00 C ATOM 830 O GLY A 48 -6.332 3.496 0.662 1.00 1.00 O ATOM 0 H GLY A 48 -7.005 5.513 1.427 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -6.227 4.091 3.759 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.844 3.618 3.280 1.00 1.00 H new ATOM 834 N LEU A 49 -5.835 2.001 2.269 1.00 1.00 N ATOM 835 CA LEU A 49 -5.318 1.011 1.348 1.00 1.00 C ATOM 836 C LEU A 49 -6.345 -0.082 1.134 1.00 1.00 C ATOM 837 O LEU A 49 -6.917 -0.617 2.089 1.00 1.00 O ATOM 838 CB LEU A 49 -4.010 0.409 1.861 1.00 1.00 C ATOM 839 CG LEU A 49 -2.810 1.353 1.842 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.577 0.644 2.369 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.564 1.878 0.435 1.00 1.00 C ATOM 0 H LEU A 49 -5.779 1.732 3.251 1.00 1.00 H new ATOM 0 HA LEU A 49 -5.113 1.504 0.398 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -4.164 0.063 2.883 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.772 -0.468 1.260 1.00 1.00 H new ATOM 0 HG LEU A 49 -3.026 2.203 2.490 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.728 1.328 2.350 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.756 0.316 3.393 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -1.360 -0.221 1.743 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.705 2.549 0.442 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -2.366 1.042 -0.236 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -3.445 2.420 0.090 1.00 1.00 H new ATOM 853 N PHE A 50 -6.579 -0.398 -0.123 1.00 1.00 N ATOM 854 CA PHE A 50 -7.561 -1.394 -0.498 1.00 1.00 C ATOM 855 C PHE A 50 -6.879 -2.522 -1.256 1.00 1.00 C ATOM 856 O PHE A 50 -6.378 -2.320 -2.360 1.00 1.00 O ATOM 857 CB PHE A 50 -8.651 -0.739 -1.357 1.00 1.00 C ATOM 858 CG PHE A 50 -9.735 -1.676 -1.810 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.769 -2.024 -0.957 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.725 -2.196 -3.094 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.772 -2.878 -1.375 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.723 -3.051 -3.518 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.748 -3.392 -2.658 1.00 1.00 C ATOM 0 H PHE A 50 -6.094 0.028 -0.913 1.00 1.00 H new ATOM 0 HA PHE A 50 -8.026 -1.811 0.395 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -9.104 0.073 -0.789 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -8.184 -0.292 -2.235 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.792 -1.624 0.046 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.927 -1.930 -3.771 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.573 -3.143 -0.701 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.702 -3.452 -4.520 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.530 -4.060 -2.987 1.00 1.00 H new ATOM 873 N LEU A 51 -6.834 -3.697 -0.652 1.00 1.00 N ATOM 874 CA LEU A 51 -6.230 -4.853 -1.291 1.00 1.00 C ATOM 875 C LEU A 51 -7.147 -5.348 -2.394 1.00 1.00 C ATOM 876 O LEU A 51 -8.187 -5.950 -2.124 1.00 1.00 O ATOM 877 CB LEU A 51 -5.964 -5.965 -0.270 1.00 1.00 C ATOM 878 CG LEU A 51 -5.350 -7.248 -0.839 1.00 1.00 C ATOM 879 CD1 LEU A 51 -4.040 -6.949 -1.553 1.00 1.00 C ATOM 880 CD2 LEU A 51 -5.130 -8.265 0.270 1.00 1.00 C ATOM 0 H LEU A 51 -7.208 -3.875 0.280 1.00 1.00 H new ATOM 0 HA LEU A 51 -5.271 -4.563 -1.720 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.299 -5.575 0.501 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.905 -6.219 0.219 1.00 1.00 H new ATOM 0 HG LEU A 51 -6.046 -7.668 -1.565 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.622 -7.875 -1.949 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -4.223 -6.254 -2.372 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -3.336 -6.504 -0.850 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.693 -9.172 -0.149 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -4.454 -7.848 1.017 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.085 -8.505 0.738 1.00 1.00 H new ATOM 892 N SER A 52 -6.774 -5.068 -3.629 1.00 1.00 N ATOM 893 CA SER A 52 -7.628 -5.363 -4.758 1.00 1.00 C ATOM 894 C SER A 52 -7.440 -6.792 -5.245 1.00 1.00 C ATOM 895 O SER A 52 -6.421 -7.435 -4.977 1.00 1.00 O ATOM 896 CB SER A 52 -7.362 -4.369 -5.887 1.00 1.00 C ATOM 897 OG SER A 52 -5.988 -4.330 -6.232 1.00 1.00 O ATOM 0 H SER A 52 -5.883 -4.636 -3.873 1.00 1.00 H new ATOM 0 HA SER A 52 -8.664 -5.264 -4.433 1.00 1.00 H new ATOM 0 HB2 SER A 52 -7.950 -4.645 -6.762 1.00 1.00 H new ATOM 0 HB3 SER A 52 -7.690 -3.375 -5.583 1.00 1.00 H new ATOM 0 HG SER A 52 -5.851 -3.686 -6.958 1.00 1.00 H new ATOM 903 N ASP A 53 -8.437 -7.270 -5.963 1.00 1.00 N ATOM 904 CA ASP A 53 -8.433 -8.609 -6.518 1.00 1.00 C ATOM 905 C ASP A 53 -9.234 -8.583 -7.812 1.00 1.00 C ATOM 906 O ASP A 53 -9.909 -7.588 -8.089 1.00 1.00 O ATOM 907 CB ASP A 53 -9.048 -9.587 -5.505 1.00 1.00 C ATOM 908 CG ASP A 53 -8.967 -11.036 -5.942 1.00 1.00 C ATOM 909 OD1 ASP A 53 -7.937 -11.689 -5.670 1.00 1.00 O ATOM 910 OD2 ASP A 53 -9.927 -11.530 -6.560 1.00 1.00 O ATOM 0 H ASP A 53 -9.279 -6.736 -6.179 1.00 1.00 H new ATOM 0 HA ASP A 53 -7.417 -8.942 -6.728 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.539 -9.475 -4.548 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -10.093 -9.322 -5.343 1.00 1.00 H new ATOM 915 N ASP A 54 -9.154 -9.639 -8.613 1.00 1.00 N ATOM 916 CA ASP A 54 -9.964 -9.725 -9.824 1.00 1.00 C ATOM 917 C ASP A 54 -11.439 -9.795 -9.446 1.00 1.00 C ATOM 918 O ASP A 54 -12.318 -9.418 -10.223 1.00 1.00 O ATOM 919 CB ASP A 54 -9.570 -10.936 -10.680 1.00 1.00 C ATOM 920 CG ASP A 54 -9.781 -12.267 -9.982 1.00 1.00 C ATOM 921 OD1 ASP A 54 -10.912 -12.801 -10.024 1.00 1.00 O ATOM 922 OD2 ASP A 54 -8.809 -12.797 -9.403 1.00 1.00 O ATOM 0 H ASP A 54 -8.544 -10.440 -8.450 1.00 1.00 H new ATOM 0 HA ASP A 54 -9.785 -8.832 -10.422 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -10.151 -10.923 -11.602 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -8.521 -10.845 -10.962 1.00 1.00 H new ATOM 927 N ASP A 55 -11.693 -10.283 -8.241 1.00 1.00 N ATOM 928 CA ASP A 55 -13.023 -10.268 -7.657 1.00 1.00 C ATOM 929 C ASP A 55 -13.076 -9.222 -6.549 1.00 1.00 C ATOM 930 O ASP A 55 -12.388 -9.345 -5.536 1.00 1.00 O ATOM 931 CB ASP A 55 -13.382 -11.651 -7.107 1.00 1.00 C ATOM 932 CG ASP A 55 -14.616 -11.647 -6.225 1.00 1.00 C ATOM 933 OD1 ASP A 55 -15.586 -10.927 -6.540 1.00 1.00 O ATOM 934 OD2 ASP A 55 -14.614 -12.366 -5.203 1.00 1.00 O ATOM 0 H ASP A 55 -10.981 -10.701 -7.641 1.00 1.00 H new ATOM 0 HA ASP A 55 -13.751 -10.012 -8.427 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -13.543 -12.335 -7.941 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -12.538 -12.037 -6.536 1.00 1.00 H new ATOM 939 N PRO A 56 -13.889 -8.173 -6.737 1.00 1.00 N ATOM 940 CA PRO A 56 -13.991 -7.062 -5.785 1.00 1.00 C ATOM 941 C PRO A 56 -14.494 -7.511 -4.416 1.00 1.00 C ATOM 942 O PRO A 56 -14.274 -6.832 -3.413 1.00 1.00 O ATOM 943 CB PRO A 56 -14.996 -6.109 -6.441 1.00 1.00 C ATOM 944 CG PRO A 56 -15.747 -6.951 -7.414 1.00 1.00 C ATOM 945 CD PRO A 56 -14.778 -7.988 -7.894 1.00 1.00 C ATOM 0 HA PRO A 56 -13.020 -6.606 -5.594 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -15.665 -5.670 -5.701 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -14.489 -5.284 -6.942 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -16.613 -7.415 -6.942 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -16.119 -6.351 -8.244 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -15.282 -8.915 -8.168 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -14.230 -7.651 -8.774 1.00 1.00 H new ATOM 953 N LYS A 57 -15.148 -8.666 -4.376 1.00 1.00 N ATOM 954 CA LYS A 57 -15.664 -9.205 -3.127 1.00 1.00 C ATOM 955 C LYS A 57 -14.509 -9.641 -2.226 1.00 1.00 C ATOM 956 O LYS A 57 -14.615 -9.612 -0.998 1.00 1.00 O ATOM 957 CB LYS A 57 -16.600 -10.384 -3.407 1.00 1.00 C ATOM 958 CG LYS A 57 -17.388 -10.852 -2.194 1.00 1.00 C ATOM 959 CD LYS A 57 -18.304 -9.758 -1.676 1.00 1.00 C ATOM 960 CE LYS A 57 -19.136 -10.236 -0.500 1.00 1.00 C ATOM 961 NZ LYS A 57 -20.014 -9.157 0.022 1.00 1.00 N ATOM 0 H LYS A 57 -15.333 -9.246 -5.195 1.00 1.00 H new ATOM 0 HA LYS A 57 -16.230 -8.428 -2.614 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -17.299 -10.100 -4.194 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -16.012 -11.218 -3.789 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -17.979 -11.729 -2.458 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -16.700 -11.156 -1.406 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -17.708 -8.896 -1.375 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -18.963 -9.425 -2.477 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -19.746 -11.086 -0.806 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -18.477 -10.586 0.294 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -20.568 -9.518 0.825 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -19.430 -8.356 0.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -20.659 -8.840 -0.730 1.00 1.00 H new ATOM 975 N LYS A 58 -13.398 -10.025 -2.847 1.00 1.00 N ATOM 976 CA LYS A 58 -12.204 -10.412 -2.107 1.00 1.00 C ATOM 977 C LYS A 58 -11.351 -9.187 -1.800 1.00 1.00 C ATOM 978 O LYS A 58 -10.351 -9.270 -1.084 1.00 1.00 O ATOM 979 CB LYS A 58 -11.386 -11.438 -2.895 1.00 1.00 C ATOM 980 CG LYS A 58 -12.160 -12.700 -3.239 1.00 1.00 C ATOM 981 CD LYS A 58 -11.271 -13.738 -3.901 1.00 1.00 C ATOM 982 CE LYS A 58 -12.081 -14.920 -4.411 1.00 1.00 C ATOM 983 NZ LYS A 58 -12.983 -14.531 -5.527 1.00 1.00 N ATOM 0 H LYS A 58 -13.301 -10.076 -3.861 1.00 1.00 H new ATOM 0 HA LYS A 58 -12.518 -10.868 -1.168 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -11.032 -10.977 -3.817 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -10.504 -11.710 -2.315 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -12.596 -13.119 -2.332 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -12.987 -12.451 -3.904 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -10.731 -13.281 -4.730 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -10.524 -14.087 -3.188 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -11.405 -15.706 -4.747 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -12.671 -15.335 -3.594 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -13.429 -15.382 -5.925 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -13.719 -13.889 -5.171 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -12.432 -14.050 -6.267 1.00 1.00 H new ATOM 997 N GLY A 59 -11.752 -8.051 -2.354 1.00 1.00 N ATOM 998 CA GLY A 59 -11.065 -6.810 -2.079 1.00 1.00 C ATOM 999 C GLY A 59 -11.396 -6.300 -0.696 1.00 1.00 C ATOM 1000 O GLY A 59 -12.567 -6.120 -0.363 1.00 1.00 O ATOM 0 H GLY A 59 -12.544 -7.969 -2.991 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -9.989 -6.959 -2.167 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -11.345 -6.063 -2.822 1.00 1.00 H new ATOM 1004 N ILE A 60 -10.378 -6.074 0.116 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.595 -5.706 1.507 1.00 1.00 C ATOM 1006 C ILE A 60 -9.809 -4.460 1.893 1.00 1.00 C ATOM 1007 O ILE A 60 -8.716 -4.213 1.376 1.00 1.00 O ATOM 1008 CB ILE A 60 -10.210 -6.855 2.467 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.751 -7.275 2.249 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -11.148 -8.042 2.280 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -8.263 -8.324 3.226 1.00 1.00 C ATOM 0 H ILE A 60 -9.398 -6.138 -0.160 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.661 -5.499 1.602 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.310 -6.497 3.492 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.641 -7.658 1.234 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -8.114 -6.394 2.328 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.863 -8.842 2.963 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.172 -7.733 2.490 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -11.080 -8.401 1.253 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -7.224 -8.569 3.008 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.339 -7.938 4.242 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.875 -9.221 3.132 1.00 1.00 H new ATOM 1023 N TRP A 61 -10.383 -3.672 2.788 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.680 -2.542 3.375 1.00 1.00 C ATOM 1025 C TRP A 61 -8.755 -3.036 4.480 1.00 1.00 C ATOM 1026 O TRP A 61 -9.183 -3.759 5.383 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.670 -1.519 3.935 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.413 -0.769 2.880 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.644 -1.071 2.390 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.978 0.404 2.187 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -13.010 -0.155 1.432 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -12.002 0.762 1.291 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.824 1.187 2.239 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.904 1.872 0.455 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.731 2.287 1.407 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.761 2.619 0.531 1.00 1.00 C ATOM 0 H TRP A 61 -11.338 -3.795 3.125 1.00 1.00 H new ATOM 0 HA TRP A 61 -9.090 -2.054 2.599 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -11.386 -2.032 4.577 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -10.131 -0.809 4.562 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -13.247 -1.909 2.707 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.887 -0.158 0.912 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -9.020 0.939 2.916 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.700 2.133 -0.227 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.843 2.900 1.437 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.655 3.487 -0.103 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.487 -2.671 4.396 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.504 -3.115 5.374 1.00 1.00 C ATOM 1049 C LEU A 62 -6.563 -2.261 6.635 1.00 1.00 C ATOM 1050 O LEU A 62 -6.656 -1.034 6.559 1.00 1.00 O ATOM 1051 CB LEU A 62 -5.087 -3.065 4.789 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.793 -4.048 3.651 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -5.418 -3.582 2.347 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -3.293 -4.230 3.491 1.00 1.00 C ATOM 0 H LEU A 62 -7.113 -2.069 3.662 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.745 -4.146 5.633 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.901 -2.054 4.426 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.376 -3.250 5.595 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.238 -5.009 3.907 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -5.192 -4.300 1.558 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -6.498 -3.504 2.469 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -5.012 -2.607 2.077 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -3.096 -4.931 2.680 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.832 -3.269 3.261 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.873 -4.621 4.418 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.523 -2.916 7.788 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.473 -2.219 9.066 1.00 1.00 C ATOM 1068 C GLU A 63 -5.121 -1.535 9.246 1.00 1.00 C ATOM 1069 O GLU A 63 -4.079 -2.178 9.139 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.715 -3.192 10.220 1.00 1.00 C ATOM 1071 CG GLU A 63 -8.115 -3.780 10.249 1.00 1.00 C ATOM 1072 CD GLU A 63 -8.298 -4.779 11.375 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -7.974 -4.443 12.535 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -8.775 -5.903 11.107 1.00 1.00 O ATOM 0 H GLU A 63 -6.524 -3.933 7.864 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.259 -1.464 9.071 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.992 -4.005 10.154 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.529 -2.676 11.162 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.842 -2.975 10.359 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -8.321 -4.268 9.296 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.160 -0.240 9.536 1.00 1.00 N ATOM 1082 CA ALA A 64 -3.960 0.586 9.684 1.00 1.00 C ATOM 1083 C ALA A 64 -2.973 0.005 10.693 1.00 1.00 C ATOM 1084 O ALA A 64 -1.759 0.089 10.494 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.370 1.988 10.105 1.00 1.00 C ATOM 0 H ALA A 64 -6.030 0.274 9.677 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.451 0.612 8.721 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.481 2.609 10.217 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -5.021 2.420 9.345 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -4.902 1.942 11.055 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.491 -0.599 11.758 1.00 1.00 N ATOM 1092 CA GLY A 65 -2.636 -1.095 12.821 1.00 1.00 C ATOM 1093 C GLY A 65 -1.944 -2.395 12.462 1.00 1.00 C ATOM 1094 O GLY A 65 -1.070 -2.862 13.195 1.00 1.00 O ATOM 0 H GLY A 65 -4.489 -0.754 11.904 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -1.884 -0.342 13.057 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.232 -1.243 13.721 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.329 -2.976 11.339 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.746 -4.227 10.880 1.00 1.00 C ATOM 1100 C LYS A 66 -0.590 -3.940 9.933 1.00 1.00 C ATOM 1101 O LYS A 66 -0.549 -2.883 9.300 1.00 1.00 O ATOM 1102 CB LYS A 66 -2.802 -5.067 10.157 1.00 1.00 C ATOM 1103 CG LYS A 66 -4.079 -5.277 10.955 1.00 1.00 C ATOM 1104 CD LYS A 66 -3.936 -6.379 11.991 1.00 1.00 C ATOM 1105 CE LYS A 66 -5.232 -6.569 12.765 1.00 1.00 C ATOM 1106 NZ LYS A 66 -5.481 -5.474 13.740 1.00 1.00 N ATOM 0 H LYS A 66 -3.049 -2.598 10.723 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.379 -4.781 11.744 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.052 -4.584 9.212 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.374 -6.039 9.914 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.351 -4.346 11.453 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.894 -5.524 10.274 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.661 -7.312 11.499 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -3.129 -6.133 12.681 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -6.065 -6.623 12.064 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -5.199 -7.521 13.294 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -5.571 -5.874 14.696 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -4.687 -4.803 13.719 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -6.360 -4.978 13.488 1.00 1.00 H new ATOM 1120 N ALA A 67 0.345 -4.871 9.840 1.00 1.00 N ATOM 1121 CA ALA A 67 1.464 -4.732 8.925 1.00 1.00 C ATOM 1122 C ALA A 67 1.140 -5.395 7.593 1.00 1.00 C ATOM 1123 O ALA A 67 0.243 -6.231 7.513 1.00 1.00 O ATOM 1124 CB ALA A 67 2.721 -5.338 9.531 1.00 1.00 C ATOM 0 H ALA A 67 0.351 -5.731 10.388 1.00 1.00 H new ATOM 0 HA ALA A 67 1.643 -3.671 8.750 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.551 -5.226 8.834 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.959 -4.826 10.463 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.555 -6.397 9.731 1.00 1.00 H new ATOM 1130 N LEU A 68 1.868 -5.022 6.552 1.00 1.00 N ATOM 1131 CA LEU A 68 1.657 -5.599 5.228 1.00 1.00 C ATOM 1132 C LEU A 68 2.016 -7.083 5.225 1.00 1.00 C ATOM 1133 O LEU A 68 1.452 -7.871 4.460 1.00 1.00 O ATOM 1134 CB LEU A 68 2.482 -4.847 4.184 1.00 1.00 C ATOM 1135 CG LEU A 68 2.185 -3.350 4.081 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.040 -2.716 2.999 1.00 1.00 C ATOM 1137 CD2 LEU A 68 0.708 -3.109 3.804 1.00 1.00 C ATOM 0 H LEU A 68 2.610 -4.323 6.595 1.00 1.00 H new ATOM 0 HA LEU A 68 0.602 -5.502 4.973 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.539 -4.977 4.416 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.311 -5.304 3.209 1.00 1.00 H new ATOM 0 HG LEU A 68 2.431 -2.885 5.036 1.00 1.00 H new ATOM 0 HD11 LEU A 68 2.818 -1.651 2.937 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.094 -2.853 3.241 1.00 1.00 H new ATOM 0 HD13 LEU A 68 2.823 -3.188 2.041 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.521 -2.037 3.735 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.431 -3.587 2.864 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.112 -3.530 4.614 1.00 1.00 H new ATOM 1149 N ASP A 69 2.945 -7.462 6.100 1.00 1.00 N ATOM 1150 CA ASP A 69 3.346 -8.860 6.244 1.00 1.00 C ATOM 1151 C ASP A 69 2.183 -9.710 6.751 1.00 1.00 C ATOM 1152 O ASP A 69 2.080 -10.897 6.442 1.00 1.00 O ATOM 1153 CB ASP A 69 4.536 -8.970 7.199 1.00 1.00 C ATOM 1154 CG ASP A 69 4.977 -10.398 7.437 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.390 -11.067 6.469 1.00 1.00 O ATOM 1156 OD2 ASP A 69 4.926 -10.854 8.603 1.00 1.00 O ATOM 0 H ASP A 69 3.435 -6.819 6.721 1.00 1.00 H new ATOM 0 HA ASP A 69 3.641 -9.235 5.264 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.373 -8.400 6.794 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.272 -8.514 8.153 1.00 1.00 H new ATOM 1161 N TYR A 70 1.295 -9.077 7.509 1.00 1.00 N ATOM 1162 CA TYR A 70 0.120 -9.744 8.067 1.00 1.00 C ATOM 1163 C TYR A 70 -0.741 -10.328 6.956 1.00 1.00 C ATOM 1164 O TYR A 70 -1.261 -11.439 7.060 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.708 -8.732 8.859 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.868 -9.328 9.627 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -3.124 -9.454 9.045 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -1.707 -9.759 10.937 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -4.184 -9.993 9.745 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -2.764 -10.298 11.643 1.00 1.00 C ATOM 1171 CZ TYR A 70 -3.998 -10.414 11.043 1.00 1.00 C ATOM 1172 OH TYR A 70 -5.051 -10.956 11.743 1.00 1.00 O ATOM 0 H TYR A 70 1.367 -8.090 7.755 1.00 1.00 H new ATOM 0 HA TYR A 70 0.453 -10.551 8.719 1.00 1.00 H new ATOM 0 HB2 TYR A 70 -0.052 -8.216 9.560 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -1.094 -7.980 8.171 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -3.273 -9.124 8.027 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -0.740 -9.671 11.411 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -5.153 -10.084 9.278 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -2.624 -10.627 12.662 1.00 1.00 H new ATOM 0 HH TYR A 70 -4.753 -11.203 12.643 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.869 -9.564 5.884 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.761 -9.904 4.792 1.00 1.00 C ATOM 1184 C TYR A 71 -1.037 -10.728 3.734 1.00 1.00 C ATOM 1185 O TYR A 71 -1.586 -10.995 2.663 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.309 -8.618 4.176 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.103 -7.767 5.141 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -2.465 -6.834 5.948 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -4.482 -7.891 5.247 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -3.175 -6.049 6.831 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -5.202 -7.108 6.131 1.00 1.00 C ATOM 1192 CZ TYR A 71 -4.541 -6.189 6.919 1.00 1.00 C ATOM 1193 OH TYR A 71 -5.246 -5.406 7.803 1.00 1.00 O ATOM 0 H TYR A 71 -0.358 -8.692 5.748 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.583 -10.506 5.179 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.478 -8.030 3.787 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.942 -8.875 3.327 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -1.393 -6.721 5.883 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -5.000 -8.610 4.630 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -2.662 -5.328 7.450 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -6.274 -7.215 6.204 1.00 1.00 H new ATOM 0 HH TYR A 71 -5.837 -5.972 8.342 1.00 1.00 H new ATOM 1203 N MET A 72 0.197 -11.129 4.050 1.00 1.00 N ATOM 1204 CA MET A 72 1.022 -11.921 3.138 1.00 1.00 C ATOM 1205 C MET A 72 1.260 -11.175 1.831 1.00 1.00 C ATOM 1206 O MET A 72 1.285 -11.776 0.756 1.00 1.00 O ATOM 1207 CB MET A 72 0.375 -13.281 2.853 1.00 1.00 C ATOM 1208 CG MET A 72 0.305 -14.198 4.062 1.00 1.00 C ATOM 1209 SD MET A 72 -0.415 -15.804 3.666 1.00 1.00 S ATOM 1210 CE MET A 72 -0.265 -16.644 5.240 1.00 1.00 C ATOM 0 H MET A 72 0.649 -10.915 4.939 1.00 1.00 H new ATOM 0 HA MET A 72 1.983 -12.088 3.625 1.00 1.00 H new ATOM 0 HB2 MET A 72 -0.634 -13.119 2.474 1.00 1.00 H new ATOM 0 HB3 MET A 72 0.936 -13.780 2.063 1.00 1.00 H new ATOM 0 HG2 MET A 72 1.308 -14.342 4.464 1.00 1.00 H new ATOM 0 HG3 MET A 72 -0.286 -13.720 4.843 1.00 1.00 H new ATOM 0 HE1 MET A 72 -0.669 -17.653 5.154 1.00 1.00 H new ATOM 0 HE2 MET A 72 0.786 -16.697 5.525 1.00 1.00 H new ATOM 0 HE3 MET A 72 -0.820 -16.094 6.000 1.00 1.00 H new ATOM 1220 N LEU A 73 1.439 -9.868 1.929 1.00 1.00 N ATOM 1221 CA LEU A 73 1.706 -9.049 0.760 1.00 1.00 C ATOM 1222 C LEU A 73 3.180 -9.135 0.396 1.00 1.00 C ATOM 1223 O LEU A 73 4.035 -9.193 1.279 1.00 1.00 O ATOM 1224 CB LEU A 73 1.305 -7.597 1.023 1.00 1.00 C ATOM 1225 CG LEU A 73 -0.169 -7.393 1.376 1.00 1.00 C ATOM 1226 CD1 LEU A 73 -0.451 -5.926 1.649 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -1.063 -7.912 0.259 1.00 1.00 C ATOM 0 H LEU A 73 1.404 -9.351 2.808 1.00 1.00 H new ATOM 0 HA LEU A 73 1.113 -9.422 -0.076 1.00 1.00 H new ATOM 0 HB2 LEU A 73 1.916 -7.208 1.837 1.00 1.00 H new ATOM 0 HB3 LEU A 73 1.538 -7.005 0.138 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.389 -7.960 2.281 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -1.504 -5.798 1.899 1.00 1.00 H new ATOM 0 HD12 LEU A 73 0.163 -5.586 2.483 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.215 -5.339 0.762 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -2.108 -7.758 0.528 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.843 -7.374 -0.663 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.879 -8.976 0.111 1.00 1.00 H new ATOM 1239 N ARG A 74 3.469 -9.169 -0.896 1.00 1.00 N ATOM 1240 CA ARG A 74 4.836 -9.302 -1.374 1.00 1.00 C ATOM 1241 C ARG A 74 5.063 -8.420 -2.589 1.00 1.00 C ATOM 1242 O ARG A 74 4.186 -7.650 -2.986 1.00 1.00 O ATOM 1243 CB ARG A 74 5.136 -10.757 -1.743 1.00 1.00 C ATOM 1244 CG ARG A 74 5.023 -11.729 -0.581 1.00 1.00 C ATOM 1245 CD ARG A 74 5.287 -13.154 -1.030 1.00 1.00 C ATOM 1246 NE ARG A 74 4.348 -13.588 -2.064 1.00 1.00 N ATOM 1247 CZ ARG A 74 4.633 -14.507 -2.987 1.00 1.00 C ATOM 1248 NH1 ARG A 74 5.854 -15.029 -3.053 1.00 1.00 N ATOM 1249 NH2 ARG A 74 3.702 -14.886 -3.856 1.00 1.00 N ATOM 0 H ARG A 74 2.770 -9.106 -1.636 1.00 1.00 H new ATOM 0 HA ARG A 74 5.505 -8.989 -0.572 1.00 1.00 H new ATOM 0 HB2 ARG A 74 4.451 -11.069 -2.531 1.00 1.00 H new ATOM 0 HB3 ARG A 74 6.144 -10.816 -2.155 1.00 1.00 H new ATOM 0 HG2 ARG A 74 5.734 -11.453 0.198 1.00 1.00 H new ATOM 0 HG3 ARG A 74 4.027 -11.662 -0.143 1.00 1.00 H new ATOM 0 HD2 ARG A 74 6.306 -13.231 -1.411 1.00 1.00 H new ATOM 0 HD3 ARG A 74 5.216 -13.823 -0.172 1.00 1.00 H new ATOM 0 HE ARG A 74 3.421 -13.163 -2.080 1.00 1.00 H new ATOM 0 HH11 ARG A 74 6.574 -14.727 -2.397 1.00 1.00 H new ATOM 0 HH12 ARG A 74 6.071 -15.732 -3.760 1.00 1.00 H new ATOM 0 HH21 ARG A 74 2.770 -14.474 -3.817 1.00 1.00 H new ATOM 0 HH22 ARG A 74 3.920 -15.589 -4.562 1.00 1.00 H new ATOM 1263 N ASN A 75 6.243 -8.539 -3.182 1.00 1.00 N ATOM 1264 CA ASN A 75 6.560 -7.805 -4.396 1.00 1.00 C ATOM 1265 C ASN A 75 5.752 -8.356 -5.567 1.00 1.00 C ATOM 1266 O ASN A 75 5.849 -9.534 -5.908 1.00 1.00 O ATOM 1267 CB ASN A 75 8.069 -7.852 -4.699 1.00 1.00 C ATOM 1268 CG ASN A 75 8.638 -9.262 -4.717 1.00 1.00 C ATOM 1269 OD1 ASN A 75 8.637 -9.935 -5.747 1.00 1.00 O ATOM 1270 ND2 ASN A 75 9.157 -9.707 -3.580 1.00 1.00 N ATOM 0 H ASN A 75 6.996 -9.137 -2.841 1.00 1.00 H new ATOM 0 HA ASN A 75 6.289 -6.760 -4.245 1.00 1.00 H new ATOM 0 HB2 ASN A 75 8.253 -7.382 -5.665 1.00 1.00 H new ATOM 0 HB3 ASN A 75 8.601 -7.263 -3.951 1.00 1.00 H new ATOM 0 HD21 ASN A 75 9.574 -10.637 -3.539 1.00 1.00 H new ATOM 0 HD22 ASN A 75 9.139 -9.119 -2.747 1.00 1.00 H new ATOM 1277 N GLY A 76 4.930 -7.504 -6.155 1.00 1.00 N ATOM 1278 CA GLY A 76 4.093 -7.923 -7.259 1.00 1.00 C ATOM 1279 C GLY A 76 2.617 -7.855 -6.927 1.00 1.00 C ATOM 1280 O GLY A 76 1.768 -7.980 -7.812 1.00 1.00 O ATOM 0 H GLY A 76 4.826 -6.525 -5.887 1.00 1.00 H new ATOM 0 HA2 GLY A 76 4.297 -7.293 -8.125 1.00 1.00 H new ATOM 0 HA3 GLY A 76 4.352 -8.944 -7.540 1.00 1.00 H new ATOM 1284 N ASP A 77 2.302 -7.659 -5.651 1.00 1.00 N ATOM 1285 CA ASP A 77 0.912 -7.529 -5.226 1.00 1.00 C ATOM 1286 C ASP A 77 0.357 -6.171 -5.620 1.00 1.00 C ATOM 1287 O ASP A 77 1.112 -5.236 -5.884 1.00 1.00 O ATOM 1288 CB ASP A 77 0.765 -7.737 -3.717 1.00 1.00 C ATOM 1289 CG ASP A 77 0.683 -9.202 -3.343 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -0.398 -9.804 -3.527 1.00 1.00 O ATOM 1291 OD2 ASP A 77 1.695 -9.759 -2.872 1.00 1.00 O ATOM 0 H ASP A 77 2.985 -7.587 -4.897 1.00 1.00 H new ATOM 0 HA ASP A 77 0.341 -8.307 -5.732 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.613 -7.281 -3.206 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.131 -7.225 -3.368 1.00 1.00 H new ATOM 1296 N THR A 78 -0.958 -6.067 -5.677 1.00 1.00 N ATOM 1297 CA THR A 78 -1.605 -4.830 -6.075 1.00 1.00 C ATOM 1298 C THR A 78 -2.580 -4.346 -5.005 1.00 1.00 C ATOM 1299 O THR A 78 -3.395 -5.114 -4.493 1.00 1.00 O ATOM 1300 CB THR A 78 -2.353 -5.011 -7.413 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.442 -5.493 -8.410 1.00 1.00 O ATOM 1302 CG2 THR A 78 -2.974 -3.704 -7.883 1.00 1.00 C ATOM 0 H THR A 78 -1.601 -6.826 -5.452 1.00 1.00 H new ATOM 0 HA THR A 78 -0.825 -4.079 -6.200 1.00 1.00 H new ATOM 0 HB THR A 78 -3.155 -5.733 -7.258 1.00 1.00 H new ATOM 0 HG1 THR A 78 -1.918 -5.609 -9.259 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.493 -3.867 -8.828 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.684 -3.349 -7.136 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.191 -2.959 -8.023 1.00 1.00 H new ATOM 1310 N MET A 79 -2.469 -3.072 -4.654 1.00 1.00 N ATOM 1311 CA MET A 79 -3.413 -2.438 -3.750 1.00 1.00 C ATOM 1312 C MET A 79 -3.848 -1.108 -4.327 1.00 1.00 C ATOM 1313 O MET A 79 -3.140 -0.519 -5.137 1.00 1.00 O ATOM 1314 CB MET A 79 -2.816 -2.210 -2.360 1.00 1.00 C ATOM 1315 CG MET A 79 -2.535 -3.486 -1.587 1.00 1.00 C ATOM 1316 SD MET A 79 -2.321 -3.198 0.178 1.00 1.00 S ATOM 1317 CE MET A 79 -0.997 -1.998 0.163 1.00 1.00 C ATOM 0 H MET A 79 -1.728 -2.455 -4.986 1.00 1.00 H new ATOM 0 HA MET A 79 -4.266 -3.108 -3.642 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.887 -1.649 -2.463 1.00 1.00 H new ATOM 0 HB3 MET A 79 -3.500 -1.590 -1.780 1.00 1.00 H new ATOM 0 HG2 MET A 79 -3.356 -4.186 -1.740 1.00 1.00 H new ATOM 0 HG3 MET A 79 -1.636 -3.957 -1.986 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.455 -2.043 1.107 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.315 -2.219 -0.658 1.00 1.00 H new ATOM 0 HE3 MET A 79 -1.413 -0.999 0.030 1.00 1.00 H new ATOM 1327 N GLU A 80 -5.006 -0.643 -3.920 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.509 0.629 -4.382 1.00 1.00 C ATOM 1329 C GLU A 80 -5.503 1.655 -3.260 1.00 1.00 C ATOM 1330 O GLU A 80 -6.261 1.543 -2.298 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.920 0.467 -4.946 1.00 1.00 C ATOM 1332 CG GLU A 80 -6.968 -0.356 -6.221 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.362 -0.450 -6.797 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -8.992 0.609 -7.013 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.845 -1.578 -7.027 1.00 1.00 O ATOM 0 H GLU A 80 -5.620 -1.129 -3.267 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.852 0.988 -5.174 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.552 -0.005 -4.194 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.340 1.453 -5.143 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -6.302 0.087 -6.961 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.595 -1.359 -6.016 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.613 2.628 -3.371 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.618 3.766 -2.462 1.00 1.00 C ATOM 1344 C TYR A 81 -5.744 4.706 -2.869 1.00 1.00 C ATOM 1345 O TYR A 81 -5.644 5.427 -3.866 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.272 4.504 -2.489 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.180 5.673 -1.535 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -2.827 5.482 -0.205 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -3.432 6.967 -1.966 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -2.732 6.547 0.667 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -3.337 8.037 -1.101 1.00 1.00 C ATOM 1352 CZ TYR A 81 -2.987 7.824 0.215 1.00 1.00 C ATOM 1353 OH TYR A 81 -2.894 8.892 1.080 1.00 1.00 O ATOM 0 H TYR A 81 -3.879 2.654 -4.079 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.775 3.411 -1.444 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.478 3.795 -2.253 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -3.089 4.862 -3.502 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -2.624 4.483 0.152 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -3.707 7.140 -2.996 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -2.459 6.381 1.699 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -3.536 9.038 -1.454 1.00 1.00 H new ATOM 0 HH TYR A 81 -3.104 9.720 0.601 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.821 4.679 -2.108 1.00 1.00 N ATOM 1364 CA ARG A 82 -8.000 5.462 -2.432 1.00 1.00 C ATOM 1365 C ARG A 82 -8.641 6.002 -1.165 1.00 1.00 C ATOM 1366 O ARG A 82 -8.368 5.520 -0.068 1.00 1.00 O ATOM 1367 CB ARG A 82 -9.002 4.614 -3.226 1.00 1.00 C ATOM 1368 CG ARG A 82 -9.343 3.282 -2.573 1.00 1.00 C ATOM 1369 CD ARG A 82 -10.393 2.516 -3.366 1.00 1.00 C ATOM 1370 NE ARG A 82 -11.660 3.245 -3.441 1.00 1.00 N ATOM 1371 CZ ARG A 82 -12.809 2.714 -3.855 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -12.847 1.475 -4.332 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -13.917 3.442 -3.822 1.00 1.00 N ATOM 0 H ARG A 82 -6.905 4.122 -1.258 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.698 6.307 -3.051 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -9.920 5.186 -3.360 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -8.595 4.426 -4.220 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.440 2.678 -2.487 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.708 3.456 -1.561 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -10.022 2.329 -4.374 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -10.560 1.544 -2.902 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.663 4.225 -3.157 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -11.992 0.922 -4.384 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -13.732 1.077 -4.647 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -13.886 4.403 -3.481 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -14.800 3.041 -4.138 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.481 7.011 -1.318 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.158 7.612 -0.184 1.00 1.00 C ATOM 1389 C LYS A 83 -11.274 6.700 0.304 1.00 1.00 C ATOM 1390 O LYS A 83 -12.160 6.329 -0.466 1.00 1.00 O ATOM 1391 CB LYS A 83 -10.727 8.977 -0.567 1.00 1.00 C ATOM 1392 CG LYS A 83 -11.443 9.678 0.576 1.00 1.00 C ATOM 1393 CD LYS A 83 -12.034 11.008 0.137 1.00 1.00 C ATOM 1394 CE LYS A 83 -10.956 11.968 -0.335 1.00 1.00 C ATOM 1395 NZ LYS A 83 -11.519 13.293 -0.701 1.00 1.00 N ATOM 0 H LYS A 83 -9.710 7.431 -2.219 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.435 7.748 0.620 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -9.916 9.613 -0.922 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.421 8.852 -1.398 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.236 9.035 0.957 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -10.745 9.843 1.396 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -12.751 10.841 -0.667 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.583 11.455 0.966 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -10.212 12.094 0.451 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.441 11.542 -1.196 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -10.752 13.920 -1.018 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -12.211 13.176 -1.469 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -11.989 13.711 0.127 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.231 6.343 1.579 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.245 5.463 2.143 1.00 1.00 C ATOM 1411 C LYS A 84 -13.588 6.181 2.190 1.00 1.00 C ATOM 1412 O LYS A 84 -13.671 7.335 2.616 1.00 1.00 O ATOM 1413 CB LYS A 84 -11.845 4.974 3.541 1.00 1.00 C ATOM 1414 CG LYS A 84 -11.499 6.085 4.522 1.00 1.00 C ATOM 1415 CD LYS A 84 -11.596 5.605 5.963 1.00 1.00 C ATOM 1416 CE LYS A 84 -10.585 4.511 6.276 1.00 1.00 C ATOM 1417 NZ LYS A 84 -9.209 5.051 6.452 1.00 1.00 N ATOM 0 H LYS A 84 -10.513 6.645 2.237 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.333 4.587 1.501 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -12.663 4.384 3.954 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -10.987 4.308 3.448 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.489 6.445 4.324 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -12.173 6.928 4.372 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -11.437 6.448 6.636 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -12.602 5.232 6.152 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -10.887 3.988 7.183 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -10.585 3.777 5.470 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -8.684 4.451 7.120 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -8.719 5.059 5.535 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -9.262 6.021 6.825 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.627 5.511 1.723 1.00 1.00 N ATOM 1432 CA GLN A 85 -15.951 6.109 1.661 1.00 1.00 C ATOM 1433 C GLN A 85 -16.763 5.717 2.888 1.00 1.00 C ATOM 1434 O GLN A 85 -17.439 4.669 2.846 1.00 1.00 O ATOM 1435 CB GLN A 85 -16.673 5.667 0.385 1.00 1.00 C ATOM 1436 CG GLN A 85 -15.928 6.006 -0.898 1.00 1.00 C ATOM 1437 CD GLN A 85 -15.748 7.498 -1.104 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -16.595 8.163 -1.693 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -14.632 8.031 -0.634 1.00 1.00 N ATOM 1440 OXT GLN A 85 -16.709 6.448 3.899 1.00 1.00 O ATOM 0 H GLN A 85 -14.580 4.551 1.381 1.00 1.00 H new ATOM 0 HA GLN A 85 -15.844 7.194 1.644 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -16.834 4.590 0.426 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -17.657 6.135 0.356 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -14.949 5.527 -0.880 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -16.471 5.591 -1.747 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -13.952 7.445 -0.150 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -14.452 9.028 -0.756 1.00 1.00 H new TER 1449 GLN A 85