USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 639 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 5 THR OG1 : rot -35:sc= 0.254 USER MOD Set 1.2: A 8 THR OG1 : rot -91:sc= 0.128 USER MOD Single : A 1 ILE N :NH3+ -131:sc= -1.5 (180deg=-2!) USER MOD Single : A 4 HIS : no HD1:sc= -11.8! C(o=-12!,f=-11!) USER MOD Single : A 6 THR OG1 : rot -172:sc= -2.88! USER MOD Single : A 9 SER OG : rot 180:sc= 0.0264 USER MOD Single : A 12 SER OG : rot -90:sc= 0.0819 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 21 ASN : amide:sc= -4.9! K(o=-4.9!,f=-2.2) USER MOD Single : A 24 TYR OH : rot -87:sc= 0.151 USER MOD Single : A 26 LYS NZ :NH3+ 151:sc= -0.276 (180deg=-0.45) USER MOD Single : A 27 MET CE :methyl -121:sc= -2.65! (180deg=-8.13!) USER MOD Single : A 34 SER OG : rot 3:sc= 0.324! USER MOD Single : A 35 SER OG : rot -12:sc= 0.709 USER MOD Single : A 38 LYS NZ :NH3+ 139:sc= -0.315 (180deg=-2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0214 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 60:sc= -0.671 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0629 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0947 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -8.86! C(o=-8.9!,f=-11!) USER MOD Single : A 68 HIS : no HE2:sc= -12.7! C(o=-13!,f=-16!) USER MOD Single : A 70 LYS NZ :NH3+ -153:sc= -1.59 (180deg=-3.42!) USER MOD Single : A 71 GLN : amide:sc= -4.71! K(o=-4.7!,f=-1.1) USER MOD Single : B 1 MET CE :methyl -138:sc= 0 (180deg=-0.0506) USER MOD Single : B 1 MET N :NH3+ -151:sc= -5.02! (180deg=-6.45!) USER MOD Single : B 3 TYR OH : rot 30:sc= -1.38 USER MOD Single : B 4 TYR OH : rot 90:sc= -4.05! USER MOD Single : B 6 SER OG : rot 71:sc= 0.986 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 1:sc= 0.908! USER MOD Single : B 11 TYR OH : rot -22:sc= -1.44! USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 8.768 14.148 -0.846 1.00 0.00 N ATOM 2 CA ILE A 1 7.464 14.261 -1.561 1.00 0.00 C ATOM 3 C ILE A 1 6.363 13.555 -0.766 1.00 0.00 C ATOM 4 O ILE A 1 6.592 13.045 0.313 1.00 0.00 O ATOM 5 CB ILE A 1 7.685 13.566 -2.903 1.00 0.00 C ATOM 6 CG1 ILE A 1 8.032 12.094 -2.663 1.00 0.00 C ATOM 7 CG2 ILE A 1 8.837 14.245 -3.647 1.00 0.00 C ATOM 8 CD1 ILE A 1 7.912 11.320 -3.977 1.00 0.00 C ATOM 0 H1 ILE A 1 9.214 15.086 -0.788 1.00 0.00 H new ATOM 0 H2 ILE A 1 8.607 13.781 0.114 1.00 0.00 H new ATOM 0 H3 ILE A 1 9.393 13.498 -1.365 1.00 0.00 H new ATOM 0 HA ILE A 1 7.151 15.297 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 1 6.776 13.634 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 1 9.045 12.008 -2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.362 11.669 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 1 8.994 13.749 -4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 1 8.592 15.293 -3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 1 9.746 14.177 -3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.159 10.272 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 1 6.891 11.396 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.600 11.740 -4.711 1.00 0.00 H new ATOM 22 N VAL A 2 5.169 13.521 -1.291 1.00 0.00 N ATOM 23 CA VAL A 2 4.053 12.848 -0.566 1.00 0.00 C ATOM 24 C VAL A 2 3.768 11.481 -1.182 1.00 0.00 C ATOM 25 O VAL A 2 4.068 11.229 -2.332 1.00 0.00 O ATOM 26 CB VAL A 2 2.848 13.758 -0.763 1.00 0.00 C ATOM 27 CG1 VAL A 2 1.733 13.359 0.201 1.00 0.00 C ATOM 28 CG2 VAL A 2 3.257 15.208 -0.504 1.00 0.00 C ATOM 0 H VAL A 2 4.917 13.930 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 2 4.290 12.690 0.486 1.00 0.00 H new ATOM 0 HB VAL A 2 2.486 13.659 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.874 14.014 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.439 12.327 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.089 13.451 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.395 15.860 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.623 15.306 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.045 15.494 -1.200 1.00 0.00 H new ATOM 38 N CYS A 3 3.187 10.598 -0.424 1.00 0.00 N ATOM 39 CA CYS A 3 2.876 9.247 -0.959 1.00 0.00 C ATOM 40 C CYS A 3 1.510 8.778 -0.458 1.00 0.00 C ATOM 41 O CYS A 3 1.012 9.258 0.540 1.00 0.00 O ATOM 42 CB CYS A 3 3.971 8.347 -0.408 1.00 0.00 C ATOM 43 SG CYS A 3 5.583 9.161 -0.558 1.00 0.00 S ATOM 0 H CYS A 3 2.913 10.754 0.546 1.00 0.00 H new ATOM 0 HA CYS A 3 2.839 9.236 -2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.769 8.114 0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.981 7.401 -0.949 1.00 0.00 H new ATOM 48 N HIS A 4 0.913 7.823 -1.123 1.00 0.00 N ATOM 49 CA HIS A 4 -0.415 7.313 -0.664 1.00 0.00 C ATOM 50 C HIS A 4 -0.207 6.183 0.327 1.00 0.00 C ATOM 51 O HIS A 4 0.776 5.471 0.263 1.00 0.00 O ATOM 52 CB HIS A 4 -1.114 6.781 -1.897 1.00 0.00 C ATOM 53 CG HIS A 4 -1.105 7.815 -2.992 1.00 0.00 C ATOM 54 ND1 HIS A 4 -1.486 9.126 -2.760 1.00 0.00 N ATOM 55 CD2 HIS A 4 -0.787 7.750 -4.330 1.00 0.00 C ATOM 56 CE1 HIS A 4 -1.390 9.791 -3.926 1.00 0.00 C ATOM 57 NE2 HIS A 4 -0.968 9.000 -4.915 1.00 0.00 N ATOM 0 H HIS A 4 1.285 7.375 -1.961 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.999 8.095 -0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.618 5.873 -2.241 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.141 6.510 -1.652 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.449 6.864 -4.847 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -1.626 10.838 -4.047 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -0.812 9.256 -5.890 1.00 0.00 H new ATOM 65 N THR A 5 -1.111 5.989 1.239 1.00 0.00 N ATOM 66 CA THR A 5 -0.919 4.885 2.197 1.00 0.00 C ATOM 67 C THR A 5 -2.126 3.970 2.212 1.00 0.00 C ATOM 68 O THR A 5 -3.190 4.297 2.702 1.00 0.00 O ATOM 69 CB THR A 5 -0.718 5.499 3.573 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.928 5.419 4.307 1.00 0.00 O ATOM 71 CG2 THR A 5 -0.258 6.959 3.473 1.00 0.00 C ATOM 0 H THR A 5 -1.961 6.540 1.359 1.00 0.00 H new ATOM 0 HA THR A 5 -0.054 4.288 1.908 1.00 0.00 H new ATOM 0 HB THR A 5 0.063 4.940 4.088 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.688 5.536 3.699 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.124 7.368 4.475 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.687 7.006 2.932 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.010 7.542 2.941 1.00 0.00 H new ATOM 79 N THR A 6 -1.932 2.815 1.711 1.00 0.00 N ATOM 80 CA THR A 6 -3.007 1.798 1.709 1.00 0.00 C ATOM 81 C THR A 6 -2.849 0.937 2.963 1.00 0.00 C ATOM 82 O THR A 6 -3.733 0.197 3.347 1.00 0.00 O ATOM 83 CB THR A 6 -2.757 0.958 0.452 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.449 1.211 -0.035 1.00 0.00 O ATOM 85 CG2 THR A 6 -3.775 1.328 -0.623 1.00 0.00 C ATOM 0 H THR A 6 -1.055 2.511 1.288 1.00 0.00 H new ATOM 0 HA THR A 6 -4.009 2.226 1.708 1.00 0.00 H new ATOM 0 HB THR A 6 -2.857 -0.099 0.700 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.335 0.777 -0.906 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.595 0.729 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.782 1.134 -0.253 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.676 2.385 -0.869 1.00 0.00 H new ATOM 93 N ALA A 7 -1.689 1.002 3.570 1.00 0.00 N ATOM 94 CA ALA A 7 -1.410 0.161 4.768 1.00 0.00 C ATOM 95 C ALA A 7 -1.709 0.866 6.099 1.00 0.00 C ATOM 96 O ALA A 7 -2.247 0.266 7.009 1.00 0.00 O ATOM 97 CB ALA A 7 0.075 -0.170 4.650 1.00 0.00 C ATOM 0 H ALA A 7 -0.920 1.607 3.282 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.054 -0.718 4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.377 -0.791 5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.255 -0.709 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.655 0.753 4.653 1.00 0.00 H new ATOM 103 N THR A 8 -1.348 2.109 6.247 1.00 0.00 N ATOM 104 CA THR A 8 -1.603 2.791 7.553 1.00 0.00 C ATOM 105 C THR A 8 -2.887 3.615 7.476 1.00 0.00 C ATOM 106 O THR A 8 -3.974 3.087 7.600 1.00 0.00 O ATOM 107 CB THR A 8 -0.387 3.694 7.773 1.00 0.00 C ATOM 108 OG1 THR A 8 0.073 4.177 6.519 1.00 0.00 O ATOM 109 CG2 THR A 8 0.725 2.896 8.455 1.00 0.00 C ATOM 0 H THR A 8 -0.893 2.679 5.533 1.00 0.00 H new ATOM 0 HA THR A 8 -1.734 2.084 8.372 1.00 0.00 H new ATOM 0 HB THR A 8 -0.667 4.536 8.406 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.750 3.565 6.161 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.591 3.539 8.612 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.370 2.525 9.416 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.008 2.054 7.824 1.00 0.00 H new ATOM 117 N SER A 9 -2.788 4.895 7.257 1.00 0.00 N ATOM 118 CA SER A 9 -4.029 5.705 7.160 1.00 0.00 C ATOM 119 C SER A 9 -4.760 5.292 5.888 1.00 0.00 C ATOM 120 O SER A 9 -4.203 4.592 5.066 1.00 0.00 O ATOM 121 CB SER A 9 -3.557 7.156 7.074 1.00 0.00 C ATOM 122 OG SER A 9 -2.501 7.363 8.003 1.00 0.00 O ATOM 0 H SER A 9 -1.914 5.409 7.143 1.00 0.00 H new ATOM 0 HA SER A 9 -4.707 5.569 8.002 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.216 7.380 6.063 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.384 7.833 7.289 1.00 0.00 H new ATOM 0 HG SER A 9 -2.195 8.292 7.949 1.00 0.00 H new ATOM 128 N PRO A 10 -5.979 5.721 5.752 1.00 0.00 N ATOM 129 CA PRO A 10 -6.752 5.356 4.551 1.00 0.00 C ATOM 130 C PRO A 10 -6.137 5.980 3.313 1.00 0.00 C ATOM 131 O PRO A 10 -5.614 7.076 3.348 1.00 0.00 O ATOM 132 CB PRO A 10 -8.143 5.900 4.824 1.00 0.00 C ATOM 133 CG PRO A 10 -7.938 6.984 5.834 1.00 0.00 C ATOM 134 CD PRO A 10 -6.745 6.576 6.664 1.00 0.00 C ATOM 0 HA PRO A 10 -6.766 4.282 4.363 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.601 6.288 3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.804 5.122 5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.761 7.942 5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.823 7.104 6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.165 7.440 6.988 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.045 6.038 7.563 1.00 0.00 H new ATOM 142 N ILE A 11 -6.186 5.260 2.232 1.00 0.00 N ATOM 143 CA ILE A 11 -5.604 5.743 0.954 1.00 0.00 C ATOM 144 C ILE A 11 -5.649 7.265 0.870 1.00 0.00 C ATOM 145 O ILE A 11 -6.693 7.880 0.774 1.00 0.00 O ATOM 146 CB ILE A 11 -6.427 5.063 -0.150 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.456 4.242 -1.008 1.00 0.00 C ATOM 148 CG2 ILE A 11 -7.167 6.099 -1.010 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.965 4.130 -2.446 1.00 0.00 C ATOM 0 H ILE A 11 -6.615 4.336 2.180 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.548 5.489 0.858 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.187 4.419 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.472 4.711 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.338 3.246 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.741 5.587 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.842 6.679 -0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.444 6.767 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.261 3.544 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.939 3.640 -2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.059 5.127 -2.877 1.00 0.00 H new ATOM 161 N SER A 12 -4.505 7.855 0.914 1.00 0.00 N ATOM 162 CA SER A 12 -4.402 9.329 0.845 1.00 0.00 C ATOM 163 C SER A 12 -2.935 9.686 0.686 1.00 0.00 C ATOM 164 O SER A 12 -2.073 9.029 1.245 1.00 0.00 O ATOM 165 CB SER A 12 -4.944 9.839 2.180 1.00 0.00 C ATOM 166 OG SER A 12 -3.975 9.616 3.196 1.00 0.00 O ATOM 0 H SER A 12 -3.612 7.369 0.997 1.00 0.00 H new ATOM 0 HA SER A 12 -4.955 9.765 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.176 10.902 2.109 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.873 9.326 2.428 1.00 0.00 H new ATOM 0 HG SER A 12 -4.124 8.737 3.603 1.00 0.00 H new ATOM 172 N ALA A 13 -2.634 10.696 -0.073 1.00 0.00 N ATOM 173 CA ALA A 13 -1.209 11.058 -0.256 1.00 0.00 C ATOM 174 C ALA A 13 -0.772 12.056 0.798 1.00 0.00 C ATOM 175 O ALA A 13 -1.040 13.237 0.696 1.00 0.00 O ATOM 176 CB ALA A 13 -1.111 11.699 -1.626 1.00 0.00 C ATOM 0 H ALA A 13 -3.306 11.281 -0.570 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.570 10.180 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.078 11.989 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.436 10.987 -2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.748 12.583 -1.661 1.00 0.00 H new ATOM 182 N VAL A 14 -0.081 11.609 1.795 1.00 0.00 N ATOM 183 CA VAL A 14 0.387 12.563 2.821 1.00 0.00 C ATOM 184 C VAL A 14 1.901 12.533 2.875 1.00 0.00 C ATOM 185 O VAL A 14 2.530 11.497 2.750 1.00 0.00 O ATOM 186 CB VAL A 14 -0.218 12.122 4.164 1.00 0.00 C ATOM 187 CG1 VAL A 14 -1.591 11.505 3.932 1.00 0.00 C ATOM 188 CG2 VAL A 14 0.701 11.105 4.852 1.00 0.00 C ATOM 0 H VAL A 14 0.179 10.634 1.945 1.00 0.00 H new ATOM 0 HA VAL A 14 0.078 13.583 2.591 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.320 12.995 4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.016 11.194 4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.246 12.241 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.495 10.638 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.261 10.801 5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.821 10.231 4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.675 11.559 5.032 1.00 0.00 H new ATOM 198 N THR A 15 2.479 13.662 3.062 1.00 0.00 N ATOM 199 CA THR A 15 3.957 13.727 3.148 1.00 0.00 C ATOM 200 C THR A 15 4.429 12.776 4.250 1.00 0.00 C ATOM 201 O THR A 15 3.694 12.474 5.169 1.00 0.00 O ATOM 202 CB THR A 15 4.258 15.168 3.529 1.00 0.00 C ATOM 203 OG1 THR A 15 3.459 16.042 2.745 1.00 0.00 O ATOM 204 CG2 THR A 15 5.737 15.457 3.281 1.00 0.00 C ATOM 0 H THR A 15 1.997 14.555 3.161 1.00 0.00 H new ATOM 0 HA THR A 15 4.455 13.441 2.222 1.00 0.00 H new ATOM 0 HB THR A 15 4.031 15.324 4.584 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.652 16.971 2.992 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.957 16.489 3.553 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.345 14.785 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.966 15.303 2.226 1.00 0.00 H new ATOM 212 N CYS A 16 5.635 12.295 4.173 1.00 0.00 N ATOM 213 CA CYS A 16 6.115 11.362 5.232 1.00 0.00 C ATOM 214 C CYS A 16 7.270 11.981 6.023 1.00 0.00 C ATOM 215 O CYS A 16 7.786 13.022 5.668 1.00 0.00 O ATOM 216 CB CYS A 16 6.576 10.113 4.483 1.00 0.00 C ATOM 217 SG CYS A 16 5.248 8.882 4.513 1.00 0.00 S ATOM 0 H CYS A 16 6.305 12.503 3.432 1.00 0.00 H new ATOM 0 HA CYS A 16 5.335 11.136 5.959 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.833 10.365 3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.476 9.707 4.946 1.00 0.00 H new ATOM 222 N PRO A 17 7.629 11.305 7.080 1.00 0.00 N ATOM 223 CA PRO A 17 8.732 11.773 7.961 1.00 0.00 C ATOM 224 C PRO A 17 10.082 11.646 7.250 1.00 0.00 C ATOM 225 O PRO A 17 10.154 11.151 6.142 1.00 0.00 O ATOM 226 CB PRO A 17 8.653 10.825 9.158 1.00 0.00 C ATOM 227 CG PRO A 17 7.987 9.596 8.633 1.00 0.00 C ATOM 228 CD PRO A 17 7.045 10.045 7.550 1.00 0.00 C ATOM 0 HA PRO A 17 8.641 12.822 8.243 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.645 10.600 9.550 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.081 11.266 9.974 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.723 8.895 8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.447 9.079 9.426 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.979 9.311 6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.035 10.190 7.933 1.00 0.00 H new ATOM 236 N PRO A 18 11.114 12.096 7.915 1.00 0.00 N ATOM 237 CA PRO A 18 12.479 12.026 7.337 1.00 0.00 C ATOM 238 C PRO A 18 12.928 10.569 7.209 1.00 0.00 C ATOM 239 O PRO A 18 12.599 9.732 8.025 1.00 0.00 O ATOM 240 CB PRO A 18 13.336 12.789 8.346 1.00 0.00 C ATOM 241 CG PRO A 18 12.575 12.705 9.628 1.00 0.00 C ATOM 242 CD PRO A 18 11.117 12.702 9.253 1.00 0.00 C ATOM 0 HA PRO A 18 12.547 12.447 6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.326 12.343 8.443 1.00 0.00 H new ATOM 0 HB3 PRO A 18 13.482 13.825 8.039 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.837 11.801 10.178 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.809 13.550 10.275 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.521 12.123 9.958 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.703 13.710 9.239 1.00 0.00 H new ATOM 250 N GLY A 19 13.668 10.261 6.181 1.00 0.00 N ATOM 251 CA GLY A 19 14.129 8.859 5.983 1.00 0.00 C ATOM 252 C GLY A 19 13.682 8.385 4.603 1.00 0.00 C ATOM 253 O GLY A 19 14.488 8.140 3.728 1.00 0.00 O ATOM 0 H GLY A 19 13.974 10.922 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.214 8.803 6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.715 8.213 6.757 1.00 0.00 H new ATOM 257 N GLU A 20 12.399 8.260 4.395 1.00 0.00 N ATOM 258 CA GLU A 20 11.902 7.814 3.073 1.00 0.00 C ATOM 259 C GLU A 20 12.142 8.910 2.035 1.00 0.00 C ATOM 260 O GLU A 20 11.474 9.925 2.022 1.00 0.00 O ATOM 261 CB GLU A 20 10.409 7.579 3.286 1.00 0.00 C ATOM 262 CG GLU A 20 10.216 6.299 4.099 1.00 0.00 C ATOM 263 CD GLU A 20 10.260 6.631 5.592 1.00 0.00 C ATOM 264 OE1 GLU A 20 9.582 7.562 5.992 1.00 0.00 O ATOM 265 OE2 GLU A 20 10.972 5.947 6.310 1.00 0.00 O ATOM 0 H GLU A 20 11.676 8.449 5.089 1.00 0.00 H new ATOM 0 HA GLU A 20 12.405 6.919 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.965 8.427 3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.901 7.495 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.262 5.836 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.996 5.578 3.853 1.00 0.00 H new ATOM 272 N ASN A 21 13.098 8.717 1.171 1.00 0.00 N ATOM 273 CA ASN A 21 13.389 9.751 0.142 1.00 0.00 C ATOM 274 C ASN A 21 12.311 9.739 -0.941 1.00 0.00 C ATOM 275 O ASN A 21 12.208 10.654 -1.735 1.00 0.00 O ATOM 276 CB ASN A 21 14.744 9.353 -0.443 1.00 0.00 C ATOM 277 CG ASN A 21 15.712 8.993 0.688 1.00 0.00 C ATOM 278 OD1 ASN A 21 16.705 8.331 0.462 1.00 0.00 O ATOM 279 ND2 ASN A 21 15.466 9.402 1.905 1.00 0.00 N ATOM 0 H ASN A 21 13.690 7.887 1.133 1.00 0.00 H new ATOM 0 HA ASN A 21 13.404 10.758 0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.625 8.504 -1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.150 10.174 -1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.107 9.165 2.662 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.633 9.958 2.098 1.00 0.00 H new ATOM 286 N LEU A 22 11.505 8.712 -0.988 1.00 0.00 N ATOM 287 CA LEU A 22 10.442 8.664 -2.031 1.00 0.00 C ATOM 288 C LEU A 22 9.277 7.787 -1.582 1.00 0.00 C ATOM 289 O LEU A 22 9.201 7.363 -0.450 1.00 0.00 O ATOM 290 CB LEU A 22 11.116 8.049 -3.255 1.00 0.00 C ATOM 291 CG LEU A 22 11.551 6.615 -2.943 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.817 5.644 -3.872 1.00 0.00 C ATOM 293 CD2 LEU A 22 13.059 6.488 -3.164 1.00 0.00 C ATOM 0 H LEU A 22 11.536 7.912 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 22 10.032 9.654 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.429 8.054 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.981 8.646 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 22 11.310 6.377 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.127 4.623 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.742 5.738 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.059 5.879 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.374 5.468 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.296 6.725 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.583 7.181 -2.505 1.00 0.00 H new ATOM 305 N CYS A 23 8.372 7.510 -2.475 1.00 0.00 N ATOM 306 CA CYS A 23 7.210 6.655 -2.130 1.00 0.00 C ATOM 307 C CYS A 23 7.455 5.238 -2.640 1.00 0.00 C ATOM 308 O CYS A 23 8.453 4.963 -3.275 1.00 0.00 O ATOM 309 CB CYS A 23 6.043 7.282 -2.871 1.00 0.00 C ATOM 310 SG CYS A 23 5.993 9.058 -2.531 1.00 0.00 S ATOM 0 H CYS A 23 8.389 7.844 -3.439 1.00 0.00 H new ATOM 0 HA CYS A 23 7.032 6.593 -1.056 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.144 7.109 -3.942 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.108 6.815 -2.560 1.00 0.00 H new ATOM 315 N TYR A 24 6.551 4.340 -2.391 1.00 0.00 N ATOM 316 CA TYR A 24 6.753 2.956 -2.878 1.00 0.00 C ATOM 317 C TYR A 24 5.426 2.244 -3.046 1.00 0.00 C ATOM 318 O TYR A 24 4.493 2.479 -2.321 1.00 0.00 O ATOM 319 CB TYR A 24 7.579 2.257 -1.804 1.00 0.00 C ATOM 320 CG TYR A 24 6.688 1.909 -0.639 1.00 0.00 C ATOM 321 CD1 TYR A 24 5.965 0.715 -0.654 1.00 0.00 C ATOM 322 CD2 TYR A 24 6.579 2.780 0.441 1.00 0.00 C ATOM 323 CE1 TYR A 24 5.130 0.389 0.420 1.00 0.00 C ATOM 324 CE2 TYR A 24 5.745 2.460 1.520 1.00 0.00 C ATOM 325 CZ TYR A 24 5.020 1.262 1.509 1.00 0.00 C ATOM 326 OH TYR A 24 4.197 0.943 2.570 1.00 0.00 O ATOM 0 H TYR A 24 5.687 4.503 -1.875 1.00 0.00 H new ATOM 0 HA TYR A 24 7.248 2.950 -3.849 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.036 1.354 -2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.391 2.905 -1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.050 0.043 -1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.138 3.704 0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.571 -0.535 0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.661 3.136 2.358 1.00 0.00 H new ATOM 0 HH TYR A 24 3.289 1.264 2.388 1.00 0.00 H new ATOM 336 N ARG A 25 5.346 1.353 -3.975 1.00 0.00 N ATOM 337 CA ARG A 25 4.071 0.612 -4.154 1.00 0.00 C ATOM 338 C ARG A 25 4.299 -0.874 -3.853 1.00 0.00 C ATOM 339 O ARG A 25 5.037 -1.541 -4.549 1.00 0.00 O ATOM 340 CB ARG A 25 3.692 0.804 -5.626 1.00 0.00 C ATOM 341 CG ARG A 25 3.958 2.250 -6.056 1.00 0.00 C ATOM 342 CD ARG A 25 5.009 2.264 -7.167 1.00 0.00 C ATOM 343 NE ARG A 25 4.540 3.300 -8.128 1.00 0.00 N ATOM 344 CZ ARG A 25 4.446 3.014 -9.398 1.00 0.00 C ATOM 345 NH1 ARG A 25 5.499 3.100 -10.165 1.00 0.00 N ATOM 346 NH2 ARG A 25 3.301 2.641 -9.901 1.00 0.00 N ATOM 0 H ARG A 25 6.097 1.102 -4.617 1.00 0.00 H new ATOM 0 HA ARG A 25 3.285 0.969 -3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.267 0.120 -6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.640 0.561 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.035 2.712 -6.407 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.305 2.836 -5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.996 2.508 -6.774 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.090 1.288 -7.646 1.00 0.00 H new ATOM 0 HE ARG A 25 4.293 4.232 -7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.394 3.390 -9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.427 2.877 -11.158 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.479 2.573 -9.302 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.229 2.418 -10.894 1.00 0.00 H new ATOM 360 N LYS A 26 3.675 -1.412 -2.836 1.00 0.00 N ATOM 361 CA LYS A 26 3.887 -2.855 -2.545 1.00 0.00 C ATOM 362 C LYS A 26 2.655 -3.647 -2.940 1.00 0.00 C ATOM 363 O LYS A 26 1.574 -3.114 -3.090 1.00 0.00 O ATOM 364 CB LYS A 26 4.124 -2.973 -1.037 1.00 0.00 C ATOM 365 CG LYS A 26 5.544 -3.480 -0.785 1.00 0.00 C ATOM 366 CD LYS A 26 5.902 -3.290 0.692 1.00 0.00 C ATOM 367 CE LYS A 26 6.662 -1.973 0.872 1.00 0.00 C ATOM 368 NZ LYS A 26 8.003 -2.360 1.397 1.00 0.00 N ATOM 0 H LYS A 26 3.039 -0.922 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 26 4.735 -3.248 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.982 -2.004 -0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.398 -3.656 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.618 -4.533 -1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.251 -2.939 -1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.996 -3.284 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.512 -4.124 1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.749 -1.437 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.144 -1.312 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.709 -1.658 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.972 -2.396 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.265 -3.296 1.025 1.00 0.00 H new ATOM 382 N MET A 27 2.814 -4.918 -3.098 1.00 0.00 N ATOM 383 CA MET A 27 1.661 -5.767 -3.472 1.00 0.00 C ATOM 384 C MET A 27 1.870 -7.156 -2.942 1.00 0.00 C ATOM 385 O MET A 27 2.922 -7.747 -3.086 1.00 0.00 O ATOM 386 CB MET A 27 1.612 -5.753 -4.998 1.00 0.00 C ATOM 387 CG MET A 27 0.366 -4.999 -5.463 1.00 0.00 C ATOM 388 SD MET A 27 0.801 -3.908 -6.840 1.00 0.00 S ATOM 389 CE MET A 27 -0.791 -3.978 -7.697 1.00 0.00 C ATOM 0 H MET A 27 3.699 -5.413 -2.984 1.00 0.00 H new ATOM 0 HA MET A 27 0.722 -5.404 -3.055 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.508 -5.277 -5.397 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.596 -6.773 -5.381 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.405 -5.705 -5.773 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.048 -4.416 -4.640 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.644 -4.363 -8.706 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.469 -4.635 -7.152 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.220 -2.977 -7.750 1.00 0.00 H new ATOM 399 N TRP A 28 0.880 -7.674 -2.299 1.00 0.00 N ATOM 400 CA TRP A 28 1.032 -9.013 -1.729 1.00 0.00 C ATOM 401 C TRP A 28 -0.297 -9.579 -1.283 1.00 0.00 C ATOM 402 O TRP A 28 -1.350 -9.077 -1.598 1.00 0.00 O ATOM 403 CB TRP A 28 1.927 -8.794 -0.532 1.00 0.00 C ATOM 404 CG TRP A 28 1.404 -7.682 0.322 1.00 0.00 C ATOM 405 CD1 TRP A 28 0.106 -7.440 0.632 1.00 0.00 C ATOM 406 CD2 TRP A 28 2.174 -6.668 0.996 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.048 -6.326 1.456 1.00 0.00 N ATOM 408 CE2 TRP A 28 1.304 -5.818 1.706 1.00 0.00 C ATOM 409 CE3 TRP A 28 3.540 -6.418 1.047 1.00 0.00 C ATOM 410 CZ2 TRP A 28 1.782 -4.745 2.451 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.040 -5.339 1.794 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.159 -4.502 2.498 1.00 0.00 C ATOM 0 H TRP A 28 -0.024 -7.227 -2.146 1.00 0.00 H new ATOM 0 HA TRP A 28 1.436 -9.723 -2.451 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.990 -9.711 0.054 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.938 -8.559 -0.865 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.741 -8.018 0.294 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.816 -5.932 1.830 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.222 -7.058 0.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.097 -4.106 2.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.103 -5.153 1.827 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.543 -3.673 3.074 1.00 0.00 H new ATOM 423 N CYS A 29 -0.248 -10.628 -0.554 1.00 0.00 N ATOM 424 CA CYS A 29 -1.509 -11.252 -0.084 1.00 0.00 C ATOM 425 C CYS A 29 -1.860 -10.726 1.312 1.00 0.00 C ATOM 426 O CYS A 29 -1.051 -10.761 2.217 1.00 0.00 O ATOM 427 CB CYS A 29 -1.209 -12.747 -0.034 1.00 0.00 C ATOM 428 SG CYS A 29 -0.755 -13.330 -1.686 1.00 0.00 S ATOM 0 H CYS A 29 0.609 -11.093 -0.254 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.356 -11.028 -0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.398 -12.942 0.667 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.081 -13.291 0.328 1.00 0.00 H new ATOM 433 N ASP A 30 -3.055 -10.235 1.495 1.00 0.00 N ATOM 434 CA ASP A 30 -3.442 -9.707 2.837 1.00 0.00 C ATOM 435 C ASP A 30 -3.604 -10.859 3.833 1.00 0.00 C ATOM 436 O ASP A 30 -2.837 -11.801 3.835 1.00 0.00 O ATOM 437 CB ASP A 30 -4.774 -8.992 2.614 1.00 0.00 C ATOM 438 CG ASP A 30 -4.937 -7.881 3.654 1.00 0.00 C ATOM 439 OD1 ASP A 30 -4.131 -6.965 3.643 1.00 0.00 O ATOM 440 OD2 ASP A 30 -5.865 -7.965 4.441 1.00 0.00 O ATOM 0 H ASP A 30 -3.778 -10.176 0.778 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.688 -9.037 3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.810 -8.572 1.609 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.598 -9.702 2.692 1.00 0.00 H new ATOM 445 N ALA A 31 -4.594 -10.789 4.683 1.00 0.00 N ATOM 446 CA ALA A 31 -4.802 -11.879 5.680 1.00 0.00 C ATOM 447 C ALA A 31 -4.595 -13.246 5.021 1.00 0.00 C ATOM 448 O ALA A 31 -3.667 -13.963 5.338 1.00 0.00 O ATOM 449 CB ALA A 31 -6.249 -11.720 6.146 1.00 0.00 C ATOM 0 H ALA A 31 -5.267 -10.024 4.730 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.099 -11.818 6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.480 -12.488 6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.381 -10.735 6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.919 -11.823 5.293 1.00 0.00 H new ATOM 455 N PHE A 32 -5.451 -13.612 4.107 1.00 0.00 N ATOM 456 CA PHE A 32 -5.300 -14.932 3.429 1.00 0.00 C ATOM 457 C PHE A 32 -5.294 -14.746 1.910 1.00 0.00 C ATOM 458 O PHE A 32 -6.306 -14.449 1.306 1.00 0.00 O ATOM 459 CB PHE A 32 -6.518 -15.745 3.866 1.00 0.00 C ATOM 460 CG PHE A 32 -6.094 -16.785 4.875 1.00 0.00 C ATOM 461 CD1 PHE A 32 -5.313 -16.415 5.977 1.00 0.00 C ATOM 462 CD2 PHE A 32 -6.483 -18.120 4.710 1.00 0.00 C ATOM 463 CE1 PHE A 32 -4.920 -17.380 6.912 1.00 0.00 C ATOM 464 CE2 PHE A 32 -6.090 -19.084 5.645 1.00 0.00 C ATOM 465 CZ PHE A 32 -5.309 -18.715 6.746 1.00 0.00 C ATOM 0 H PHE A 32 -6.248 -13.055 3.800 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.366 -15.428 3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.271 -15.087 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.976 -16.227 3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.014 -15.385 6.106 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.086 -18.406 3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.317 -17.095 7.761 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.390 -20.114 5.517 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.006 -19.460 7.467 1.00 0.00 H new ATOM 475 N CYS A 33 -4.160 -14.917 1.287 1.00 0.00 N ATOM 476 CA CYS A 33 -4.090 -14.748 -0.193 1.00 0.00 C ATOM 477 C CYS A 33 -5.237 -15.506 -0.867 1.00 0.00 C ATOM 478 O CYS A 33 -5.129 -16.681 -1.159 1.00 0.00 O ATOM 479 CB CYS A 33 -2.741 -15.343 -0.598 1.00 0.00 C ATOM 480 SG CYS A 33 -2.221 -14.631 -2.179 1.00 0.00 S ATOM 0 H CYS A 33 -3.280 -15.166 1.738 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.180 -13.704 -0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.995 -15.137 0.169 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.820 -16.427 -0.683 1.00 0.00 H new ATOM 485 N SER A 34 -6.333 -14.844 -1.117 1.00 0.00 N ATOM 486 CA SER A 34 -7.485 -15.528 -1.772 1.00 0.00 C ATOM 487 C SER A 34 -7.398 -15.369 -3.292 1.00 0.00 C ATOM 488 O SER A 34 -6.373 -14.998 -3.829 1.00 0.00 O ATOM 489 CB SER A 34 -8.726 -14.820 -1.231 1.00 0.00 C ATOM 490 OG SER A 34 -8.588 -14.637 0.172 1.00 0.00 O ATOM 0 H SER A 34 -6.481 -13.859 -0.896 1.00 0.00 H new ATOM 0 HA SER A 34 -7.503 -16.598 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.853 -13.856 -1.724 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.618 -15.409 -1.447 1.00 0.00 H new ATOM 0 HG SER A 34 -7.710 -14.964 0.460 1.00 0.00 H new ATOM 496 N SER A 35 -8.467 -15.643 -3.988 1.00 0.00 N ATOM 497 CA SER A 35 -8.445 -15.505 -5.472 1.00 0.00 C ATOM 498 C SER A 35 -8.685 -14.046 -5.869 1.00 0.00 C ATOM 499 O SER A 35 -8.734 -13.709 -7.035 1.00 0.00 O ATOM 500 CB SER A 35 -9.585 -16.393 -5.968 1.00 0.00 C ATOM 501 OG SER A 35 -9.801 -16.148 -7.352 1.00 0.00 O ATOM 0 H SER A 35 -9.354 -15.956 -3.594 1.00 0.00 H new ATOM 0 HA SER A 35 -7.487 -15.797 -5.902 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.341 -17.443 -5.806 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.494 -16.187 -5.404 1.00 0.00 H new ATOM 0 HG SER A 35 -9.308 -15.346 -7.623 1.00 0.00 H new ATOM 507 N ARG A 36 -8.835 -13.178 -4.906 1.00 0.00 N ATOM 508 CA ARG A 36 -9.070 -11.740 -5.225 1.00 0.00 C ATOM 509 C ARG A 36 -7.753 -11.062 -5.607 1.00 0.00 C ATOM 510 O ARG A 36 -7.699 -9.868 -5.828 1.00 0.00 O ATOM 511 CB ARG A 36 -9.627 -11.136 -3.935 1.00 0.00 C ATOM 512 CG ARG A 36 -11.147 -11.004 -4.044 1.00 0.00 C ATOM 513 CD ARG A 36 -11.746 -12.343 -4.478 1.00 0.00 C ATOM 514 NE ARG A 36 -13.220 -12.155 -4.375 1.00 0.00 N ATOM 515 CZ ARG A 36 -13.985 -12.435 -5.393 1.00 0.00 C ATOM 516 NH1 ARG A 36 -14.195 -13.678 -5.729 1.00 0.00 N ATOM 517 NH2 ARG A 36 -14.540 -11.471 -6.076 1.00 0.00 N ATOM 0 H ARG A 36 -8.805 -13.402 -3.911 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.751 -11.609 -6.066 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.367 -11.766 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.179 -10.159 -3.756 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.566 -10.700 -3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.404 -10.228 -4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.450 -12.597 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.405 -13.155 -3.835 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.631 -11.807 -3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.761 -14.431 -5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.794 -13.897 -6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.375 -10.499 -5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.139 -11.689 -6.873 1.00 0.00 H new ATOM 531 N GLY A 37 -6.689 -11.812 -5.682 1.00 0.00 N ATOM 532 CA GLY A 37 -5.376 -11.209 -6.044 1.00 0.00 C ATOM 533 C GLY A 37 -4.613 -10.858 -4.767 1.00 0.00 C ATOM 534 O GLY A 37 -4.956 -11.301 -3.688 1.00 0.00 O ATOM 0 H GLY A 37 -6.672 -12.817 -5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.796 -11.907 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.528 -10.315 -6.648 1.00 0.00 H new ATOM 538 N LYS A 38 -3.590 -10.055 -4.873 1.00 0.00 N ATOM 539 CA LYS A 38 -2.822 -9.664 -3.669 1.00 0.00 C ATOM 540 C LYS A 38 -3.434 -8.366 -3.138 1.00 0.00 C ATOM 541 O LYS A 38 -4.639 -8.224 -3.083 1.00 0.00 O ATOM 542 CB LYS A 38 -1.363 -9.458 -4.147 1.00 0.00 C ATOM 543 CG LYS A 38 -1.070 -10.245 -5.427 1.00 0.00 C ATOM 544 CD LYS A 38 -1.563 -11.687 -5.276 1.00 0.00 C ATOM 545 CE LYS A 38 -0.531 -12.647 -5.874 1.00 0.00 C ATOM 546 NZ LYS A 38 0.710 -12.419 -5.083 1.00 0.00 N ATOM 0 H LYS A 38 -3.255 -9.654 -5.749 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.846 -10.404 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.184 -8.397 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.675 -9.771 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.561 -9.771 -6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.000 -10.237 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.723 -11.919 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.522 -11.809 -5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.864 -13.682 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.368 -12.442 -6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.169 -13.331 -4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.360 -11.814 -5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.469 -11.952 -4.186 1.00 0.00 H new ATOM 560 N VAL A 39 -2.633 -7.405 -2.788 1.00 0.00 N ATOM 561 CA VAL A 39 -3.195 -6.116 -2.315 1.00 0.00 C ATOM 562 C VAL A 39 -2.442 -4.995 -3.027 1.00 0.00 C ATOM 563 O VAL A 39 -1.903 -5.182 -4.100 1.00 0.00 O ATOM 564 CB VAL A 39 -2.958 -6.049 -0.792 1.00 0.00 C ATOM 565 CG1 VAL A 39 -3.948 -5.063 -0.165 1.00 0.00 C ATOM 566 CG2 VAL A 39 -3.176 -7.415 -0.134 1.00 0.00 C ATOM 0 H VAL A 39 -1.614 -7.456 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.260 -6.021 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.928 -5.731 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.781 -5.015 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.801 -4.074 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.967 -5.397 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.001 -7.334 0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.200 -7.745 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.482 -8.139 -0.561 1.00 0.00 H new ATOM 576 N VAL A 40 -2.377 -3.850 -2.434 1.00 0.00 N ATOM 577 CA VAL A 40 -1.641 -2.723 -3.047 1.00 0.00 C ATOM 578 C VAL A 40 -1.291 -1.772 -1.927 1.00 0.00 C ATOM 579 O VAL A 40 -1.987 -0.815 -1.650 1.00 0.00 O ATOM 580 CB VAL A 40 -2.603 -2.096 -4.041 1.00 0.00 C ATOM 581 CG1 VAL A 40 -2.029 -0.762 -4.516 1.00 0.00 C ATOM 582 CG2 VAL A 40 -2.760 -3.046 -5.229 1.00 0.00 C ATOM 0 H VAL A 40 -2.810 -3.641 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.722 -3.009 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.574 -1.924 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.714 -0.305 -5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.899 -0.097 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.065 -0.931 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.448 -2.611 -5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.789 -3.204 -5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.154 -4.001 -4.882 1.00 0.00 H new ATOM 592 N GLU A 41 -0.245 -2.081 -1.238 1.00 0.00 N ATOM 593 CA GLU A 41 0.143 -1.261 -0.071 1.00 0.00 C ATOM 594 C GLU A 41 1.342 -0.363 -0.381 1.00 0.00 C ATOM 595 O GLU A 41 2.469 -0.682 -0.061 1.00 0.00 O ATOM 596 CB GLU A 41 0.486 -2.293 0.999 1.00 0.00 C ATOM 597 CG GLU A 41 -0.584 -3.390 1.012 1.00 0.00 C ATOM 598 CD GLU A 41 -1.111 -3.586 2.436 1.00 0.00 C ATOM 599 OE1 GLU A 41 -0.608 -2.925 3.331 1.00 0.00 O ATOM 600 OE2 GLU A 41 -2.008 -4.394 2.608 1.00 0.00 O ATOM 0 H GLU A 41 0.366 -2.874 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.648 -0.578 0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.465 -2.728 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.543 -1.814 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.403 -3.119 0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.164 -4.324 0.638 1.00 0.00 H new ATOM 607 N LEU A 42 1.105 0.770 -0.986 1.00 0.00 N ATOM 608 CA LEU A 42 2.231 1.697 -1.296 1.00 0.00 C ATOM 609 C LEU A 42 2.491 2.589 -0.078 1.00 0.00 C ATOM 610 O LEU A 42 1.987 2.342 0.999 1.00 0.00 O ATOM 611 CB LEU A 42 1.786 2.571 -2.486 1.00 0.00 C ATOM 612 CG LEU A 42 0.672 1.906 -3.302 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.653 2.599 -2.995 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.984 2.064 -4.786 1.00 0.00 C ATOM 0 H LEU A 42 0.183 1.093 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 42 3.141 1.148 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.438 3.536 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.642 2.766 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 42 0.604 0.849 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.451 2.131 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.873 2.508 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.583 3.653 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.197 1.594 -5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.040 3.124 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.938 1.588 -5.010 1.00 0.00 H new ATOM 626 N GLY A 43 3.259 3.631 -0.240 1.00 0.00 N ATOM 627 CA GLY A 43 3.523 4.541 0.921 1.00 0.00 C ATOM 628 C GLY A 43 4.883 5.233 0.764 1.00 0.00 C ATOM 629 O GLY A 43 5.227 5.706 -0.298 1.00 0.00 O ATOM 0 H GLY A 43 3.713 3.894 -1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.734 5.289 0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.504 3.970 1.849 1.00 0.00 H new ATOM 633 N CYS A 44 5.654 5.316 1.819 1.00 0.00 N ATOM 634 CA CYS A 44 6.978 5.988 1.725 1.00 0.00 C ATOM 635 C CYS A 44 8.102 4.996 2.029 1.00 0.00 C ATOM 636 O CYS A 44 7.884 3.958 2.620 1.00 0.00 O ATOM 637 CB CYS A 44 6.944 7.076 2.790 1.00 0.00 C ATOM 638 SG CYS A 44 5.373 7.971 2.716 1.00 0.00 S ATOM 0 H CYS A 44 5.420 4.946 2.740 1.00 0.00 H new ATOM 0 HA CYS A 44 7.162 6.388 0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.073 6.633 3.778 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.773 7.768 2.641 1.00 0.00 H new ATOM 643 N ALA A 45 9.305 5.310 1.634 1.00 0.00 N ATOM 644 CA ALA A 45 10.438 4.392 1.903 1.00 0.00 C ATOM 645 C ALA A 45 11.767 5.067 1.557 1.00 0.00 C ATOM 646 O ALA A 45 11.860 5.839 0.619 1.00 0.00 O ATOM 647 CB ALA A 45 10.199 3.183 1.000 1.00 0.00 C ATOM 0 H ALA A 45 9.549 6.166 1.136 1.00 0.00 H new ATOM 0 HA ALA A 45 10.493 4.109 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.000 2.458 1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.243 2.724 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.183 3.504 -0.041 1.00 0.00 H new ATOM 653 N ALA A 46 12.797 4.781 2.309 1.00 0.00 N ATOM 654 CA ALA A 46 14.123 5.399 2.028 1.00 0.00 C ATOM 655 C ALA A 46 14.506 5.154 0.567 1.00 0.00 C ATOM 656 O ALA A 46 15.057 6.008 -0.098 1.00 0.00 O ATOM 657 CB ALA A 46 15.099 4.687 2.965 1.00 0.00 C ATOM 0 H ALA A 46 12.776 4.145 3.106 1.00 0.00 H new ATOM 0 HA ALA A 46 14.124 6.477 2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.102 5.087 2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.793 4.846 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.099 3.619 2.747 1.00 0.00 H new ATOM 663 N THR A 47 14.209 3.987 0.068 1.00 0.00 N ATOM 664 CA THR A 47 14.541 3.664 -1.348 1.00 0.00 C ATOM 665 C THR A 47 13.860 2.353 -1.744 1.00 0.00 C ATOM 666 O THR A 47 13.462 1.577 -0.898 1.00 0.00 O ATOM 667 CB THR A 47 16.062 3.511 -1.377 1.00 0.00 C ATOM 668 OG1 THR A 47 16.515 3.061 -0.108 1.00 0.00 O ATOM 669 CG2 THR A 47 16.707 4.859 -1.703 1.00 0.00 C ATOM 0 H THR A 47 13.747 3.238 0.584 1.00 0.00 H new ATOM 0 HA THR A 47 14.203 4.431 -2.045 1.00 0.00 H new ATOM 0 HB THR A 47 16.340 2.785 -2.141 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.490 2.961 -0.125 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.791 4.748 -1.723 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.359 5.203 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.431 5.588 -0.941 1.00 0.00 H new ATOM 677 N CYS A 48 13.722 2.097 -3.016 1.00 0.00 N ATOM 678 CA CYS A 48 13.064 0.828 -3.449 1.00 0.00 C ATOM 679 C CYS A 48 13.570 -0.334 -2.589 1.00 0.00 C ATOM 680 O CYS A 48 14.664 -0.824 -2.788 1.00 0.00 O ATOM 681 CB CYS A 48 13.477 0.637 -4.910 1.00 0.00 C ATOM 682 SG CYS A 48 13.034 2.109 -5.872 1.00 0.00 S ATOM 0 H CYS A 48 14.034 2.707 -3.772 1.00 0.00 H new ATOM 0 HA CYS A 48 11.980 0.863 -3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 48 14.551 0.459 -4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 48 12.983 -0.242 -5.325 1.00 0.00 H new ATOM 687 N PRO A 49 12.756 -0.724 -1.646 1.00 0.00 N ATOM 688 CA PRO A 49 13.125 -1.827 -0.725 1.00 0.00 C ATOM 689 C PRO A 49 13.068 -3.185 -1.435 1.00 0.00 C ATOM 690 O PRO A 49 12.620 -3.294 -2.559 1.00 0.00 O ATOM 691 CB PRO A 49 12.076 -1.737 0.380 1.00 0.00 C ATOM 692 CG PRO A 49 10.899 -1.062 -0.250 1.00 0.00 C ATOM 693 CD PRO A 49 11.425 -0.179 -1.353 1.00 0.00 C ATOM 0 HA PRO A 49 14.144 -1.740 -0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.810 -2.726 0.752 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.448 -1.166 1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.201 -1.799 -0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.354 -0.472 0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.779 -0.211 -2.231 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.482 0.863 -1.037 1.00 0.00 H new ATOM 701 N SER A 50 13.535 -4.216 -0.781 1.00 0.00 N ATOM 702 CA SER A 50 13.531 -5.576 -1.399 1.00 0.00 C ATOM 703 C SER A 50 12.254 -5.809 -2.210 1.00 0.00 C ATOM 704 O SER A 50 11.173 -5.416 -1.817 1.00 0.00 O ATOM 705 CB SER A 50 13.596 -6.544 -0.219 1.00 0.00 C ATOM 706 OG SER A 50 14.898 -7.109 -0.144 1.00 0.00 O ATOM 0 H SER A 50 13.922 -4.174 0.162 1.00 0.00 H new ATOM 0 HA SER A 50 14.363 -5.707 -2.091 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.360 -6.021 0.708 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.852 -7.332 -0.339 1.00 0.00 H new ATOM 0 HG SER A 50 14.942 -7.729 0.614 1.00 0.00 H new ATOM 712 N LYS A 51 12.375 -6.453 -3.339 1.00 0.00 N ATOM 713 CA LYS A 51 11.177 -6.725 -4.184 1.00 0.00 C ATOM 714 C LYS A 51 11.547 -7.687 -5.317 1.00 0.00 C ATOM 715 O LYS A 51 12.165 -7.301 -6.289 1.00 0.00 O ATOM 716 CB LYS A 51 10.774 -5.362 -4.749 1.00 0.00 C ATOM 717 CG LYS A 51 11.988 -4.701 -5.408 1.00 0.00 C ATOM 718 CD LYS A 51 11.763 -4.610 -6.919 1.00 0.00 C ATOM 719 CE LYS A 51 11.684 -3.139 -7.335 1.00 0.00 C ATOM 720 NZ LYS A 51 12.406 -3.068 -8.636 1.00 0.00 N ATOM 0 H LYS A 51 13.256 -6.804 -3.714 1.00 0.00 H new ATOM 0 HA LYS A 51 10.366 -7.187 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.972 -5.482 -5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.389 -4.726 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.144 -3.705 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.888 -5.278 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.576 -5.106 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.843 -5.126 -7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.649 -2.813 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.148 -2.493 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.395 -2.089 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.390 -3.377 -8.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.938 -3.688 -9.327 1.00 0.00 H new ATOM 734 N LYS A 52 11.184 -8.939 -5.205 1.00 0.00 N ATOM 735 CA LYS A 52 11.536 -9.903 -6.289 1.00 0.00 C ATOM 736 C LYS A 52 10.823 -11.249 -6.098 1.00 0.00 C ATOM 737 O LYS A 52 10.046 -11.659 -6.937 1.00 0.00 O ATOM 738 CB LYS A 52 13.050 -10.083 -6.174 1.00 0.00 C ATOM 739 CG LYS A 52 13.739 -9.373 -7.340 1.00 0.00 C ATOM 740 CD LYS A 52 14.962 -10.181 -7.779 1.00 0.00 C ATOM 741 CE LYS A 52 14.527 -11.597 -8.164 1.00 0.00 C ATOM 742 NZ LYS A 52 15.565 -12.070 -9.121 1.00 0.00 N ATOM 0 H LYS A 52 10.665 -9.332 -4.419 1.00 0.00 H new ATOM 0 HA LYS A 52 11.229 -9.534 -7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.404 -9.677 -5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.302 -11.143 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.045 -9.262 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.041 -8.369 -7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.447 -9.695 -8.626 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.694 -10.221 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.472 -12.245 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.538 -11.596 -8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.337 -13.036 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.590 -11.438 -9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.494 -12.067 -8.654 1.00 0.00 H new ATOM 756 N PRO A 53 11.129 -11.903 -5.009 1.00 0.00 N ATOM 757 CA PRO A 53 10.525 -13.231 -4.722 1.00 0.00 C ATOM 758 C PRO A 53 9.034 -13.108 -4.394 1.00 0.00 C ATOM 759 O PRO A 53 8.189 -13.176 -5.264 1.00 0.00 O ATOM 760 CB PRO A 53 11.312 -13.728 -3.512 1.00 0.00 C ATOM 761 CG PRO A 53 11.827 -12.489 -2.854 1.00 0.00 C ATOM 762 CD PRO A 53 12.050 -11.478 -3.948 1.00 0.00 C ATOM 0 HA PRO A 53 10.579 -13.909 -5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.677 -14.300 -2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.129 -14.384 -3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.112 -12.115 -2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.755 -12.692 -2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.830 -10.466 -3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.085 -11.481 -4.291 1.00 0.00 H new ATOM 770 N TYR A 54 8.706 -12.937 -3.144 1.00 0.00 N ATOM 771 CA TYR A 54 7.268 -12.822 -2.757 1.00 0.00 C ATOM 772 C TYR A 54 6.909 -11.351 -2.562 1.00 0.00 C ATOM 773 O TYR A 54 5.785 -10.940 -2.770 1.00 0.00 O ATOM 774 CB TYR A 54 7.112 -13.586 -1.428 1.00 0.00 C ATOM 775 CG TYR A 54 8.228 -14.594 -1.255 1.00 0.00 C ATOM 776 CD1 TYR A 54 8.100 -15.883 -1.784 1.00 0.00 C ATOM 777 CD2 TYR A 54 9.394 -14.230 -0.571 1.00 0.00 C ATOM 778 CE1 TYR A 54 9.139 -16.809 -1.628 1.00 0.00 C ATOM 779 CE2 TYR A 54 10.431 -15.154 -0.415 1.00 0.00 C ATOM 780 CZ TYR A 54 10.305 -16.444 -0.944 1.00 0.00 C ATOM 781 OH TYR A 54 11.329 -17.356 -0.790 1.00 0.00 O ATOM 0 H TYR A 54 9.370 -12.872 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 54 6.611 -13.232 -3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.119 -12.882 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 54 6.149 -14.096 -1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.201 -16.164 -2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.492 -13.235 -0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.041 -17.804 -2.035 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.330 -14.873 0.114 1.00 0.00 H new ATOM 0 HH TYR A 54 12.065 -16.941 -0.293 1.00 0.00 H new ATOM 791 N GLU A 55 7.861 -10.556 -2.164 1.00 0.00 N ATOM 792 CA GLU A 55 7.582 -9.109 -1.956 1.00 0.00 C ATOM 793 C GLU A 55 7.664 -8.361 -3.288 1.00 0.00 C ATOM 794 O GLU A 55 8.698 -8.316 -3.922 1.00 0.00 O ATOM 795 CB GLU A 55 8.675 -8.628 -1.001 1.00 0.00 C ATOM 796 CG GLU A 55 8.413 -9.188 0.398 1.00 0.00 C ATOM 797 CD GLU A 55 9.632 -9.987 0.864 1.00 0.00 C ATOM 798 OE1 GLU A 55 9.954 -10.969 0.217 1.00 0.00 O ATOM 799 OE2 GLU A 55 10.221 -9.604 1.862 1.00 0.00 O ATOM 0 H GLU A 55 8.820 -10.846 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 55 6.585 -8.933 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.653 -8.953 -1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.693 -7.539 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.210 -8.375 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.529 -9.826 0.386 1.00 0.00 H new ATOM 806 N GLU A 56 6.583 -7.772 -3.716 1.00 0.00 N ATOM 807 CA GLU A 56 6.604 -7.024 -5.005 1.00 0.00 C ATOM 808 C GLU A 56 6.538 -5.522 -4.729 1.00 0.00 C ATOM 809 O GLU A 56 5.594 -4.852 -5.099 1.00 0.00 O ATOM 810 CB GLU A 56 5.356 -7.489 -5.756 1.00 0.00 C ATOM 811 CG GLU A 56 5.674 -8.771 -6.529 1.00 0.00 C ATOM 812 CD GLU A 56 4.544 -9.781 -6.329 1.00 0.00 C ATOM 813 OE1 GLU A 56 4.514 -10.408 -5.283 1.00 0.00 O ATOM 814 OE2 GLU A 56 3.727 -9.912 -7.226 1.00 0.00 O ATOM 0 H GLU A 56 5.686 -7.776 -3.230 1.00 0.00 H new ATOM 0 HA GLU A 56 7.511 -7.207 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.541 -7.667 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.021 -6.711 -6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.794 -8.549 -7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.618 -9.192 -6.183 1.00 0.00 H new ATOM 821 N VAL A 57 7.529 -4.991 -4.069 1.00 0.00 N ATOM 822 CA VAL A 57 7.519 -3.535 -3.755 1.00 0.00 C ATOM 823 C VAL A 57 8.038 -2.720 -4.941 1.00 0.00 C ATOM 824 O VAL A 57 8.780 -3.209 -5.770 1.00 0.00 O ATOM 825 CB VAL A 57 8.454 -3.382 -2.559 1.00 0.00 C ATOM 826 CG1 VAL A 57 8.301 -1.980 -1.968 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.093 -4.425 -1.502 1.00 0.00 C ATOM 0 H VAL A 57 8.345 -5.502 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 57 6.513 -3.174 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 57 9.486 -3.528 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.969 -1.870 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.554 -1.237 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.271 -1.832 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.758 -4.320 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.062 -4.276 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.201 -5.424 -1.925 1.00 0.00 H new ATOM 837 N THR A 58 7.658 -1.476 -5.017 1.00 0.00 N ATOM 838 CA THR A 58 8.132 -0.614 -6.136 1.00 0.00 C ATOM 839 C THR A 58 8.411 0.792 -5.608 1.00 0.00 C ATOM 840 O THR A 58 8.443 1.017 -4.414 1.00 0.00 O ATOM 841 CB THR A 58 6.988 -0.592 -7.154 1.00 0.00 C ATOM 842 OG1 THR A 58 5.924 -1.415 -6.697 1.00 0.00 O ATOM 843 CG2 THR A 58 7.493 -1.111 -8.501 1.00 0.00 C ATOM 0 H THR A 58 7.037 -1.017 -4.350 1.00 0.00 H new ATOM 0 HA THR A 58 9.052 -0.986 -6.587 1.00 0.00 H new ATOM 0 HB THR A 58 6.628 0.430 -7.270 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.602 -1.083 -5.833 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.679 -1.095 -9.225 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.305 -0.476 -8.854 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.855 -2.132 -8.385 1.00 0.00 H new ATOM 851 N CYS A 59 8.608 1.742 -6.476 1.00 0.00 N ATOM 852 CA CYS A 59 8.880 3.124 -5.993 1.00 0.00 C ATOM 853 C CYS A 59 8.046 4.145 -6.741 1.00 0.00 C ATOM 854 O CYS A 59 7.340 3.842 -7.682 1.00 0.00 O ATOM 855 CB CYS A 59 10.338 3.401 -6.315 1.00 0.00 C ATOM 856 SG CYS A 59 11.393 2.848 -4.952 1.00 0.00 S ATOM 0 H CYS A 59 8.593 1.625 -7.489 1.00 0.00 H new ATOM 0 HA CYS A 59 8.646 3.198 -4.931 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.619 2.887 -7.234 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.484 4.467 -6.488 1.00 0.00 H new ATOM 861 N CYS A 60 8.174 5.370 -6.342 1.00 0.00 N ATOM 862 CA CYS A 60 7.450 6.462 -7.033 1.00 0.00 C ATOM 863 C CYS A 60 7.955 7.812 -6.509 1.00 0.00 C ATOM 864 O CYS A 60 7.837 8.118 -5.342 1.00 0.00 O ATOM 865 CB CYS A 60 5.953 6.199 -6.748 1.00 0.00 C ATOM 866 SG CYS A 60 5.126 7.634 -5.994 1.00 0.00 S ATOM 0 H CYS A 60 8.755 5.666 -5.558 1.00 0.00 H new ATOM 0 HA CYS A 60 7.613 6.491 -8.110 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.449 5.941 -7.679 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.858 5.339 -6.085 1.00 0.00 H new ATOM 871 N SER A 61 8.536 8.613 -7.364 1.00 0.00 N ATOM 872 CA SER A 61 9.070 9.928 -6.903 1.00 0.00 C ATOM 873 C SER A 61 8.271 11.100 -7.492 1.00 0.00 C ATOM 874 O SER A 61 8.446 12.234 -7.090 1.00 0.00 O ATOM 875 CB SER A 61 10.510 9.960 -7.412 1.00 0.00 C ATOM 876 OG SER A 61 10.600 9.207 -8.615 1.00 0.00 O ATOM 0 H SER A 61 8.663 8.415 -8.356 1.00 0.00 H new ATOM 0 HA SER A 61 9.002 10.031 -5.820 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.822 10.989 -7.589 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.183 9.548 -6.660 1.00 0.00 H new ATOM 0 HG SER A 61 11.522 9.227 -8.945 1.00 0.00 H new ATOM 882 N THR A 62 7.403 10.853 -8.438 1.00 0.00 N ATOM 883 CA THR A 62 6.619 11.982 -9.026 1.00 0.00 C ATOM 884 C THR A 62 5.494 12.399 -8.073 1.00 0.00 C ATOM 885 O THR A 62 5.360 11.871 -6.987 1.00 0.00 O ATOM 886 CB THR A 62 6.041 11.439 -10.337 1.00 0.00 C ATOM 887 OG1 THR A 62 6.777 10.295 -10.745 1.00 0.00 O ATOM 888 CG2 THR A 62 6.130 12.515 -11.420 1.00 0.00 C ATOM 0 H THR A 62 7.204 9.931 -8.826 1.00 0.00 H new ATOM 0 HA THR A 62 7.237 12.864 -9.194 1.00 0.00 H new ATOM 0 HB THR A 62 4.998 11.163 -10.184 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.405 9.948 -11.583 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.719 12.128 -12.352 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.562 13.392 -11.109 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.173 12.793 -11.572 1.00 0.00 H new ATOM 896 N ASP A 63 4.684 13.343 -8.468 1.00 0.00 N ATOM 897 CA ASP A 63 3.569 13.785 -7.582 1.00 0.00 C ATOM 898 C ASP A 63 2.494 12.698 -7.524 1.00 0.00 C ATOM 899 O ASP A 63 1.994 12.256 -8.540 1.00 0.00 O ATOM 900 CB ASP A 63 3.018 15.052 -8.237 1.00 0.00 C ATOM 901 CG ASP A 63 3.449 16.276 -7.427 1.00 0.00 C ATOM 902 OD1 ASP A 63 4.596 16.672 -7.554 1.00 0.00 O ATOM 903 OD2 ASP A 63 2.625 16.798 -6.694 1.00 0.00 O ATOM 0 H ASP A 63 4.745 13.827 -9.364 1.00 0.00 H new ATOM 0 HA ASP A 63 3.897 13.970 -6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.384 15.133 -9.261 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.930 15.003 -8.290 1.00 0.00 H new ATOM 908 N LYS A 64 2.138 12.253 -6.349 1.00 0.00 N ATOM 909 CA LYS A 64 1.102 11.185 -6.248 1.00 0.00 C ATOM 910 C LYS A 64 1.390 10.099 -7.287 1.00 0.00 C ATOM 911 O LYS A 64 0.530 9.706 -8.050 1.00 0.00 O ATOM 912 CB LYS A 64 -0.222 11.887 -6.551 1.00 0.00 C ATOM 913 CG LYS A 64 -0.534 12.889 -5.437 1.00 0.00 C ATOM 914 CD LYS A 64 -1.930 13.478 -5.655 1.00 0.00 C ATOM 915 CE LYS A 64 -1.827 14.997 -5.804 1.00 0.00 C ATOM 916 NZ LYS A 64 -3.202 15.442 -6.163 1.00 0.00 N ATOM 0 H LYS A 64 2.517 12.580 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 64 1.085 10.703 -5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.162 12.401 -7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.025 11.154 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.483 12.397 -4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.211 13.685 -5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.384 13.045 -6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.577 13.228 -4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.490 15.463 -4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.109 15.270 -6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.212 16.475 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.493 14.988 -7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.862 15.174 -5.405 1.00 0.00 H new ATOM 930 N CYS A 65 2.601 9.613 -7.314 1.00 0.00 N ATOM 931 CA CYS A 65 2.957 8.546 -8.300 1.00 0.00 C ATOM 932 C CYS A 65 2.748 7.164 -7.681 1.00 0.00 C ATOM 933 O CYS A 65 3.363 6.193 -8.075 1.00 0.00 O ATOM 934 CB CYS A 65 4.425 8.763 -8.704 1.00 0.00 C ATOM 935 SG CYS A 65 5.448 9.157 -7.269 1.00 0.00 S ATOM 0 H CYS A 65 3.360 9.906 -6.698 1.00 0.00 H new ATOM 0 HA CYS A 65 2.319 8.601 -9.182 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.807 7.866 -9.191 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.489 9.572 -9.432 1.00 0.00 H new ATOM 940 N ASN A 66 1.862 7.068 -6.725 1.00 0.00 N ATOM 941 CA ASN A 66 1.580 5.751 -6.088 1.00 0.00 C ATOM 942 C ASN A 66 0.158 5.262 -6.441 1.00 0.00 C ATOM 943 O ASN A 66 -0.488 4.647 -5.617 1.00 0.00 O ATOM 944 CB ASN A 66 1.675 6.026 -4.583 1.00 0.00 C ATOM 945 CG ASN A 66 2.879 5.294 -3.995 1.00 0.00 C ATOM 946 OD1 ASN A 66 2.856 4.877 -2.855 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.937 5.125 -4.730 1.00 0.00 N ATOM 0 H ASN A 66 1.320 7.850 -6.357 1.00 0.00 H new ATOM 0 HA ASN A 66 2.272 4.979 -6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.768 7.097 -4.406 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.762 5.699 -4.086 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.750 4.641 -4.350 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.954 5.476 -5.688 1.00 0.00 H new ATOM 954 N PRO A 67 -0.305 5.556 -7.643 1.00 0.00 N ATOM 955 CA PRO A 67 -1.669 5.135 -8.042 1.00 0.00 C ATOM 956 C PRO A 67 -1.721 3.647 -8.391 1.00 0.00 C ATOM 957 O PRO A 67 -0.965 3.157 -9.206 1.00 0.00 O ATOM 958 CB PRO A 67 -1.957 5.964 -9.288 1.00 0.00 C ATOM 959 CG PRO A 67 -0.615 6.279 -9.861 1.00 0.00 C ATOM 960 CD PRO A 67 0.367 6.294 -8.721 1.00 0.00 C ATOM 0 HA PRO A 67 -2.390 5.285 -7.239 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.569 5.409 -9.999 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.503 6.874 -9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.330 5.534 -10.604 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.630 7.244 -10.367 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.307 5.818 -9.001 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.604 7.313 -8.416 1.00 0.00 H new ATOM 968 N HIS A 68 -2.638 2.943 -7.801 1.00 0.00 N ATOM 969 CA HIS A 68 -2.800 1.494 -8.104 1.00 0.00 C ATOM 970 C HIS A 68 -4.133 1.328 -8.843 1.00 0.00 C ATOM 971 O HIS A 68 -4.702 2.314 -9.261 1.00 0.00 O ATOM 972 CB HIS A 68 -2.816 0.826 -6.729 1.00 0.00 C ATOM 973 CG HIS A 68 -4.086 1.179 -6.011 1.00 0.00 C ATOM 974 ND1 HIS A 68 -5.262 0.459 -6.164 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.374 2.184 -5.127 1.00 0.00 C ATOM 976 CE1 HIS A 68 -6.193 1.041 -5.393 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.707 2.098 -4.737 1.00 0.00 N ATOM 0 H HIS A 68 -3.293 3.312 -7.112 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.021 1.062 -8.732 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.737 -0.256 -6.838 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.954 1.151 -6.146 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -5.394 -0.362 -6.754 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.673 2.930 -4.784 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -7.213 0.696 -5.312 1.00 0.00 H new ATOM 985 N PRO A 69 -4.613 0.116 -8.989 1.00 0.00 N ATOM 986 CA PRO A 69 -5.905 -0.073 -9.683 1.00 0.00 C ATOM 987 C PRO A 69 -7.040 0.327 -8.739 1.00 0.00 C ATOM 988 O PRO A 69 -7.686 -0.504 -8.132 1.00 0.00 O ATOM 989 CB PRO A 69 -5.934 -1.563 -10.005 1.00 0.00 C ATOM 990 CG PRO A 69 -5.030 -2.202 -9.000 1.00 0.00 C ATOM 991 CD PRO A 69 -4.035 -1.160 -8.546 1.00 0.00 C ATOM 0 HA PRO A 69 -6.021 0.531 -10.583 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.946 -1.961 -9.933 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.589 -1.753 -11.021 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.605 -2.576 -8.153 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.515 -3.057 -9.438 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -3.903 -1.182 -7.464 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.054 -1.327 -8.991 1.00 0.00 H new ATOM 999 N LYS A 70 -7.267 1.605 -8.604 1.00 0.00 N ATOM 1000 CA LYS A 70 -8.335 2.093 -7.693 1.00 0.00 C ATOM 1001 C LYS A 70 -9.709 1.655 -8.195 1.00 0.00 C ATOM 1002 O LYS A 70 -10.208 0.612 -7.831 1.00 0.00 O ATOM 1003 CB LYS A 70 -8.204 3.617 -7.734 1.00 0.00 C ATOM 1004 CG LYS A 70 -6.878 4.034 -7.096 1.00 0.00 C ATOM 1005 CD LYS A 70 -6.173 5.049 -7.998 1.00 0.00 C ATOM 1006 CE LYS A 70 -6.821 6.424 -7.826 1.00 0.00 C ATOM 1007 NZ LYS A 70 -8.034 6.388 -8.690 1.00 0.00 N ATOM 0 H LYS A 70 -6.751 2.337 -9.092 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.235 1.696 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.250 3.969 -8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.036 4.078 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.057 4.468 -6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.243 3.160 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.114 5.101 -7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.238 4.733 -9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.083 6.609 -6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.143 7.221 -8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.271 7.353 -8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.848 5.796 -9.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.831 5.990 -8.153 1.00 0.00 H new ATOM 1021 N GLN A 71 -10.326 2.449 -9.020 1.00 0.00 N ATOM 1022 CA GLN A 71 -11.673 2.081 -9.540 1.00 0.00 C ATOM 1023 C GLN A 71 -11.582 1.693 -11.018 1.00 0.00 C ATOM 1024 O GLN A 71 -11.784 2.509 -11.895 1.00 0.00 O ATOM 1025 CB GLN A 71 -12.520 3.343 -9.362 1.00 0.00 C ATOM 1026 CG GLN A 71 -12.969 3.455 -7.903 1.00 0.00 C ATOM 1027 CD GLN A 71 -12.396 4.733 -7.287 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -13.005 5.782 -7.358 1.00 0.00 O ATOM 1029 NE2 GLN A 71 -11.242 4.689 -6.680 1.00 0.00 N ATOM 0 H GLN A 71 -9.958 3.338 -9.358 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.101 1.226 -9.017 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.943 4.224 -9.645 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.389 3.306 -10.019 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.057 3.468 -7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.631 2.585 -7.340 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.730 3.809 -6.620 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.851 5.535 -6.265 1.00 0.00 H new ATOM 1038 N ARG A 72 -11.278 0.453 -11.296 1.00 0.00 N ATOM 1039 CA ARG A 72 -11.169 0.000 -12.717 1.00 0.00 C ATOM 1040 C ARG A 72 -10.113 0.822 -13.463 1.00 0.00 C ATOM 1041 O ARG A 72 -9.956 2.003 -13.222 1.00 0.00 O ATOM 1042 CB ARG A 72 -12.557 0.229 -13.321 1.00 0.00 C ATOM 1043 CG ARG A 72 -12.500 -0.003 -14.832 1.00 0.00 C ATOM 1044 CD ARG A 72 -13.758 0.573 -15.485 1.00 0.00 C ATOM 1045 NE ARG A 72 -14.524 -0.614 -15.956 1.00 0.00 N ATOM 1046 CZ ARG A 72 -14.445 -0.990 -17.203 1.00 0.00 C ATOM 1047 NH1 ARG A 72 -14.831 -0.183 -18.153 1.00 0.00 N ATOM 1048 NH2 ARG A 72 -13.980 -2.173 -17.500 1.00 0.00 N ATOM 0 H ARG A 72 -11.100 -0.270 -10.599 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.863 -1.044 -12.790 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -13.280 -0.448 -12.865 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.894 1.244 -13.111 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.611 0.470 -15.250 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.423 -1.069 -15.044 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.338 1.161 -14.774 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.505 1.234 -16.314 1.00 0.00 H new ATOM 0 HE ARG A 72 -15.111 -1.134 -15.303 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.194 0.741 -17.921 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.769 -0.477 -19.128 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.678 -2.804 -16.757 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.918 -2.467 -18.475 1.00 0.00 H new ATOM 1062 N PRO A 73 -9.421 0.161 -14.350 1.00 0.00 N ATOM 1063 CA PRO A 73 -8.365 0.831 -15.147 1.00 0.00 C ATOM 1064 C PRO A 73 -8.992 1.735 -16.213 1.00 0.00 C ATOM 1065 O PRO A 73 -9.609 1.268 -17.150 1.00 0.00 O ATOM 1066 CB PRO A 73 -7.614 -0.330 -15.793 1.00 0.00 C ATOM 1067 CG PRO A 73 -8.600 -1.454 -15.841 1.00 0.00 C ATOM 1068 CD PRO A 73 -9.555 -1.259 -14.690 1.00 0.00 C ATOM 0 HA PRO A 73 -7.717 1.472 -14.548 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.267 -0.067 -16.792 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.734 -0.603 -15.211 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.136 -1.455 -16.790 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.092 -2.415 -15.761 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.578 -1.506 -14.975 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.296 -1.897 -13.845 1.00 0.00 H new ATOM 1076 N GLY A 74 -8.840 3.024 -16.077 1.00 0.00 N ATOM 1077 CA GLY A 74 -9.428 3.954 -17.083 1.00 0.00 C ATOM 1078 C GLY A 74 -9.525 5.359 -16.488 1.00 0.00 C ATOM 1079 O GLY A 74 -8.648 6.161 -16.764 1.00 0.00 O ATOM 1080 OXT GLY A 74 -10.475 5.611 -15.765 1.00 0.00 O ATOM 0 H GLY A 74 -8.335 3.473 -15.313 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.811 3.971 -17.982 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.417 3.605 -17.381 1.00 0.00 H new TER 1084 GLY A 74 ATOM 1085 N MET B 1 -13.170 -4.559 2.990 1.00 0.00 N ATOM 1086 CA MET B 1 -12.683 -3.152 3.068 1.00 0.00 C ATOM 1087 C MET B 1 -11.182 -3.100 2.781 1.00 0.00 C ATOM 1088 O MET B 1 -10.366 -3.188 3.678 1.00 0.00 O ATOM 1089 CB MET B 1 -12.974 -2.713 4.503 1.00 0.00 C ATOM 1090 CG MET B 1 -14.471 -2.860 4.786 1.00 0.00 C ATOM 1091 SD MET B 1 -14.789 -4.479 5.529 1.00 0.00 S ATOM 1092 CE MET B 1 -14.324 -4.044 7.223 1.00 0.00 C ATOM 0 H1 MET B 1 -14.168 -4.565 2.696 1.00 0.00 H new ATOM 0 H2 MET B 1 -12.602 -5.085 2.296 1.00 0.00 H new ATOM 0 H3 MET B 1 -13.081 -5.009 3.923 1.00 0.00 H new ATOM 0 HA MET B 1 -13.168 -2.503 2.339 1.00 0.00 H new ATOM 0 HB2 MET B 1 -12.399 -3.318 5.204 1.00 0.00 H new ATOM 0 HB3 MET B 1 -12.665 -1.678 4.648 1.00 0.00 H new ATOM 0 HG2 MET B 1 -14.804 -2.068 5.457 1.00 0.00 H new ATOM 0 HG3 MET B 1 -15.039 -2.755 3.862 1.00 0.00 H new ATOM 0 HE1 MET B 1 -13.742 -4.855 7.660 1.00 0.00 H new ATOM 0 HE2 MET B 1 -13.727 -3.132 7.214 1.00 0.00 H new ATOM 0 HE3 MET B 1 -15.223 -3.882 7.817 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.808 -2.962 1.538 1.00 0.00 N ATOM 1105 CA ARG B 2 -9.355 -2.910 1.206 1.00 0.00 C ATOM 1106 C ARG B 2 -9.115 -2.165 -0.098 1.00 0.00 C ATOM 1107 O ARG B 2 -9.963 -2.113 -0.967 1.00 0.00 O ATOM 1108 CB ARG B 2 -8.928 -4.373 1.014 1.00 0.00 C ATOM 1109 CG ARG B 2 -7.969 -4.778 2.134 1.00 0.00 C ATOM 1110 CD ARG B 2 -6.647 -4.027 1.967 1.00 0.00 C ATOM 1111 NE ARG B 2 -5.696 -4.716 2.881 1.00 0.00 N ATOM 1112 CZ ARG B 2 -5.775 -4.522 4.169 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -6.550 -5.279 4.896 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -5.079 -3.570 4.728 1.00 0.00 N ATOM 0 H ARG B 2 -11.441 -2.883 0.742 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.799 -2.396 1.990 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -9.804 -5.022 1.019 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -8.445 -4.497 0.045 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.409 -4.550 3.105 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.795 -5.854 2.107 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.299 -4.064 0.935 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.755 -2.975 2.229 1.00 0.00 H new ATOM 0 HE ARG B 2 -4.983 -5.339 2.501 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -7.094 -6.022 4.458 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.612 -5.128 5.903 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -4.474 -2.979 4.158 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -5.140 -3.417 5.735 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.927 -1.673 -0.276 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.587 -1.029 -1.565 1.00 0.00 C ATOM 1130 C TYR B 3 -6.869 -2.111 -2.322 1.00 0.00 C ATOM 1131 O TYR B 3 -5.733 -1.977 -2.731 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.633 0.137 -1.292 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.838 0.685 0.094 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -6.193 0.080 1.176 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -7.648 1.805 0.292 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -6.362 0.595 2.466 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -7.816 2.325 1.578 1.00 0.00 C ATOM 1138 CZ TYR B 3 -7.174 1.720 2.668 1.00 0.00 C ATOM 1139 OH TYR B 3 -7.340 2.232 3.938 1.00 0.00 O ATOM 0 H TYR B 3 -7.177 -1.689 0.416 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.450 -0.639 -2.105 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.602 -0.197 -1.406 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.796 0.925 -2.027 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -5.565 -0.784 1.017 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -8.144 2.269 -0.548 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -5.868 0.127 3.304 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.440 3.193 1.732 1.00 0.00 H new ATOM 0 HH TYR B 3 -6.535 2.058 4.469 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.524 -3.220 -2.442 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.898 -4.377 -3.091 1.00 0.00 C ATOM 1151 C TYR B 4 -6.643 -4.089 -4.553 1.00 0.00 C ATOM 1152 O TYR B 4 -6.816 -2.989 -5.040 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.933 -5.495 -2.983 1.00 0.00 C ATOM 1154 CG TYR B 4 -7.464 -6.579 -2.044 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.908 -6.251 -0.802 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -7.602 -7.920 -2.418 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -6.489 -7.269 0.065 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -7.186 -8.936 -1.553 1.00 0.00 C ATOM 1159 CZ TYR B 4 -6.629 -8.612 -0.312 1.00 0.00 C ATOM 1160 OH TYR B 4 -6.220 -9.617 0.541 1.00 0.00 O ATOM 0 H TYR B 4 -8.477 -3.371 -2.113 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.944 -4.629 -2.628 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.879 -5.086 -2.628 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -8.119 -5.919 -3.970 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.802 -5.216 -0.513 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -8.031 -8.171 -3.377 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -6.058 -7.019 1.023 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -7.295 -9.971 -1.843 1.00 0.00 H new ATOM 0 HH TYR B 4 -6.964 -9.874 1.125 1.00 0.00 H new ATOM 1170 N GLU B 5 -6.240 -5.090 -5.243 1.00 0.00 N ATOM 1171 CA GLU B 5 -5.962 -4.937 -6.699 1.00 0.00 C ATOM 1172 C GLU B 5 -7.191 -5.351 -7.514 1.00 0.00 C ATOM 1173 O GLU B 5 -7.297 -6.472 -7.971 1.00 0.00 O ATOM 1174 CB GLU B 5 -4.778 -5.863 -6.981 1.00 0.00 C ATOM 1175 CG GLU B 5 -4.703 -6.163 -8.481 1.00 0.00 C ATOM 1176 CD GLU B 5 -3.239 -6.232 -8.917 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -2.427 -6.689 -8.130 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -2.954 -5.828 -10.033 1.00 0.00 O ATOM 0 H GLU B 5 -6.085 -6.026 -4.870 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.736 -3.907 -6.973 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.851 -5.396 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.888 -6.791 -6.420 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -5.203 -7.107 -8.699 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -5.225 -5.389 -9.044 1.00 0.00 H new ATOM 1185 N SER B 6 -8.122 -4.453 -7.701 1.00 0.00 N ATOM 1186 CA SER B 6 -9.343 -4.798 -8.487 1.00 0.00 C ATOM 1187 C SER B 6 -10.380 -3.670 -8.410 1.00 0.00 C ATOM 1188 O SER B 6 -11.216 -3.529 -9.279 1.00 0.00 O ATOM 1189 CB SER B 6 -9.887 -6.068 -7.834 1.00 0.00 C ATOM 1190 OG SER B 6 -9.653 -7.175 -8.694 1.00 0.00 O ATOM 0 H SER B 6 -8.090 -3.498 -7.344 1.00 0.00 H new ATOM 0 HA SER B 6 -9.118 -4.940 -9.544 1.00 0.00 H new ATOM 0 HB2 SER B 6 -9.403 -6.232 -6.871 1.00 0.00 H new ATOM 0 HB3 SER B 6 -10.954 -5.963 -7.640 1.00 0.00 H new ATOM 0 HG SER B 6 -8.695 -7.381 -8.709 1.00 0.00 H new ATOM 1196 N SER B 7 -10.338 -2.869 -7.378 1.00 0.00 N ATOM 1197 CA SER B 7 -11.331 -1.760 -7.260 1.00 0.00 C ATOM 1198 C SER B 7 -11.081 -0.952 -5.982 1.00 0.00 C ATOM 1199 O SER B 7 -10.278 -1.325 -5.149 1.00 0.00 O ATOM 1200 CB SER B 7 -12.689 -2.455 -7.190 1.00 0.00 C ATOM 1201 OG SER B 7 -13.683 -1.598 -7.735 1.00 0.00 O ATOM 0 H SER B 7 -9.663 -2.933 -6.616 1.00 0.00 H new ATOM 0 HA SER B 7 -11.267 -1.061 -8.094 1.00 0.00 H new ATOM 0 HB2 SER B 7 -12.659 -3.394 -7.743 1.00 0.00 H new ATOM 0 HB3 SER B 7 -12.932 -2.701 -6.156 1.00 0.00 H new ATOM 0 HG SER B 7 -14.556 -2.042 -7.693 1.00 0.00 H new ATOM 1207 N LEU B 8 -11.769 0.147 -5.814 1.00 0.00 N ATOM 1208 CA LEU B 8 -11.574 0.967 -4.582 1.00 0.00 C ATOM 1209 C LEU B 8 -12.922 1.414 -4.024 1.00 0.00 C ATOM 1210 O LEU B 8 -13.547 2.329 -4.523 1.00 0.00 O ATOM 1211 CB LEU B 8 -10.748 2.176 -5.017 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.614 2.404 -4.019 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -8.887 1.089 -3.774 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.629 3.421 -4.588 1.00 0.00 C ATOM 0 H LEU B 8 -12.456 0.511 -6.475 1.00 0.00 H new ATOM 0 HA LEU B 8 -11.074 0.402 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -10.341 2.012 -6.015 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -11.381 3.061 -5.073 1.00 0.00 H new ATOM 0 HG LEU B 8 -10.026 2.779 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -8.077 1.248 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -9.586 0.356 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -8.477 0.720 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.821 3.583 -3.875 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -8.217 3.044 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -9.145 4.364 -4.772 1.00 0.00 H new ATOM 1226 N LYS B 9 -13.368 0.770 -2.986 1.00 0.00 N ATOM 1227 CA LYS B 9 -14.674 1.145 -2.375 1.00 0.00 C ATOM 1228 C LYS B 9 -14.877 0.390 -1.063 1.00 0.00 C ATOM 1229 O LYS B 9 -15.938 -0.139 -0.800 1.00 0.00 O ATOM 1230 CB LYS B 9 -15.727 0.731 -3.403 1.00 0.00 C ATOM 1231 CG LYS B 9 -16.378 1.978 -4.003 1.00 0.00 C ATOM 1232 CD LYS B 9 -17.766 1.620 -4.536 1.00 0.00 C ATOM 1233 CE LYS B 9 -18.616 2.887 -4.647 1.00 0.00 C ATOM 1234 NZ LYS B 9 -19.357 2.741 -5.930 1.00 0.00 N ATOM 0 H LYS B 9 -12.884 -0.004 -2.531 1.00 0.00 H new ATOM 0 HA LYS B 9 -14.731 2.208 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -15.266 0.135 -4.190 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -16.484 0.105 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -16.457 2.760 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -15.758 2.374 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -17.680 1.141 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -18.248 0.904 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -19.301 2.978 -3.804 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -17.993 3.781 -4.650 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -19.963 3.573 -6.077 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -18.680 2.663 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -19.946 1.885 -5.895 1.00 0.00 H new ATOM 1248 N SER B 10 -13.865 0.337 -0.242 1.00 0.00 N ATOM 1249 CA SER B 10 -13.991 -0.389 1.058 1.00 0.00 C ATOM 1250 C SER B 10 -14.789 -1.682 0.865 1.00 0.00 C ATOM 1251 O SER B 10 -15.883 -1.830 1.373 1.00 0.00 O ATOM 1252 CB SER B 10 -14.742 0.572 1.978 1.00 0.00 C ATOM 1253 OG SER B 10 -16.124 0.556 1.645 1.00 0.00 O ATOM 0 H SER B 10 -12.955 0.764 -0.413 1.00 0.00 H new ATOM 0 HA SER B 10 -13.022 -0.672 1.469 1.00 0.00 H new ATOM 0 HB2 SER B 10 -14.603 0.280 3.019 1.00 0.00 H new ATOM 0 HB3 SER B 10 -14.342 1.581 1.874 1.00 0.00 H new ATOM 0 HG SER B 10 -16.278 -0.081 0.916 1.00 0.00 H new ATOM 1259 N TYR B 11 -14.253 -2.616 0.127 1.00 0.00 N ATOM 1260 CA TYR B 11 -14.985 -3.895 -0.107 1.00 0.00 C ATOM 1261 C TYR B 11 -14.170 -5.082 0.416 1.00 0.00 C ATOM 1262 O TYR B 11 -13.001 -5.213 0.113 1.00 0.00 O ATOM 1263 CB TYR B 11 -15.134 -3.982 -1.626 1.00 0.00 C ATOM 1264 CG TYR B 11 -13.765 -3.966 -2.263 1.00 0.00 C ATOM 1265 CD1 TYR B 11 -13.161 -2.747 -2.598 1.00 0.00 C ATOM 1266 CD2 TYR B 11 -13.099 -5.170 -2.520 1.00 0.00 C ATOM 1267 CE1 TYR B 11 -11.891 -2.734 -3.187 1.00 0.00 C ATOM 1268 CE2 TYR B 11 -11.830 -5.156 -3.109 1.00 0.00 C ATOM 1269 CZ TYR B 11 -11.226 -3.939 -3.443 1.00 0.00 C ATOM 1270 OH TYR B 11 -9.975 -3.927 -4.024 1.00 0.00 O ATOM 0 H TYR B 11 -13.341 -2.549 -0.324 1.00 0.00 H new ATOM 0 HA TYR B 11 -15.946 -3.921 0.407 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -15.664 -4.894 -1.899 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -15.729 -3.145 -1.993 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -13.675 -1.818 -2.402 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -13.565 -6.110 -2.264 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -11.424 -1.794 -3.444 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -11.316 -6.085 -3.306 1.00 0.00 H new ATOM 0 HH TYR B 11 -9.843 -3.080 -4.498 1.00 0.00 H new ATOM 1280 N PRO B 12 -14.821 -5.915 1.185 1.00 0.00 N ATOM 1281 CA PRO B 12 -14.149 -7.108 1.752 1.00 0.00 C ATOM 1282 C PRO B 12 -13.972 -8.181 0.674 1.00 0.00 C ATOM 1283 O PRO B 12 -14.062 -7.909 -0.507 1.00 0.00 O ATOM 1284 CB PRO B 12 -15.114 -7.582 2.835 1.00 0.00 C ATOM 1285 CG PRO B 12 -16.456 -7.068 2.417 1.00 0.00 C ATOM 1286 CD PRO B 12 -16.227 -5.823 1.596 1.00 0.00 C ATOM 0 HA PRO B 12 -13.152 -6.896 2.139 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -15.115 -8.669 2.913 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -14.830 -7.193 3.813 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -16.990 -7.819 1.835 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -17.070 -6.845 3.289 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -16.892 -5.787 0.733 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -16.413 -4.921 2.180 1.00 0.00 H new ATOM 1294 N ASP B 13 -13.723 -9.399 1.070 1.00 0.00 N ATOM 1295 CA ASP B 13 -13.543 -10.487 0.066 1.00 0.00 C ATOM 1296 C ASP B 13 -14.870 -11.215 -0.167 1.00 0.00 C ATOM 1297 O ASP B 13 -15.556 -10.866 -1.114 1.00 0.00 O ATOM 1298 CB ASP B 13 -12.514 -11.433 0.684 1.00 0.00 C ATOM 1299 CG ASP B 13 -12.494 -12.747 -0.100 1.00 0.00 C ATOM 1300 OD1 ASP B 13 -12.494 -12.686 -1.319 1.00 0.00 O ATOM 1301 OD2 ASP B 13 -12.479 -13.791 0.531 1.00 0.00 O ATOM 1302 OXT ASP B 13 -15.176 -12.108 0.605 1.00 0.00 O ATOM 0 H ASP B 13 -13.636 -9.688 2.044 1.00 0.00 H new ATOM 0 HA ASP B 13 -13.215 -10.106 -0.901 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -11.526 -10.973 0.669 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -12.761 -11.624 1.728 1.00 0.00 H new TER 1307 ASP B 13