USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 678 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 38 LYS NZ :NH3+ -177:sc= -0.365 (180deg=-0.498) USER MOD Set 1.2: A 71 GLN : amide:sc= -2.18 K(o=-2.5,f=-3.1!) USER MOD Set 2.1: A 24 TYR OH : rot -80:sc= 0.0876 USER MOD Set 2.2: A 50 SER OG : rot -161:sc= 0.637 USER MOD Set 3.1: A 8 THR OG1 : rot -79:sc= 0.762 USER MOD Set 3.2: A 9 SER OG : rot -140:sc= -2.28! USER MOD Set 4.1: A 4 HIS : no HE2:sc= -13.8! C(o=-21!,f=-17!) USER MOD Set 4.2: A 6 THR OG1 : rot -140:sc= -1.88 USER MOD Set 4.3: A 66 ASN : amide:sc= -5.48! C(o=-21!,f=-17!) USER MOD Single : A 1 ILE N :NH3+ -151:sc= -0.0591 (180deg=-0.53) USER MOD Single : A 5 THR OG1 : rot 180:sc= -1.58 USER MOD Single : A 12 SER OG : rot -37:sc= -0.16! USER MOD Single : A 15 THR OG1 : rot -21:sc= 1.02 USER MOD Single : A 21 ASN : amide:sc= -3.65 K(o=-3.6,f=-7.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 135:sc= -1.54 (180deg=-2.22!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : 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 180:sc= -0.286 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0745 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.49) USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= 0.159 (180deg=0.117) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0158) USER MOD Single : B 186 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 189 TYR OH : rot 91:sc= 0.75 USER MOD Single : B 190 TYR OH : rot 180:sc= 0 USER MOD Single : B 191 THR OG1 : rot 180:sc= -1.69! USER MOD Single : B 196 THR OG1 : rot 180:sc=-0.00123 USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -4.652 16.520 -8.659 1.00 0.00 N ATOM 2 CA ILE A 1 -3.827 15.462 -8.020 1.00 0.00 C ATOM 3 C ILE A 1 -4.444 15.009 -6.701 1.00 0.00 C ATOM 4 O ILE A 1 -4.830 15.832 -5.871 1.00 0.00 O ATOM 5 CB ILE A 1 -2.391 15.954 -7.760 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.824 16.623 -9.013 1.00 0.00 C ATOM 7 CG2 ILE A 1 -1.504 14.797 -7.323 1.00 0.00 C ATOM 8 CD1 ILE A 1 -1.826 15.725 -10.230 1.00 0.00 C ATOM 0 H1 ILE A 1 -4.539 16.472 -9.692 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.652 16.376 -8.413 1.00 0.00 H new ATOM 0 H3 ILE A 1 -4.343 17.453 -8.320 1.00 0.00 H new ATOM 0 HA ILE A 1 -3.796 14.620 -8.712 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.415 16.690 -6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.405 17.519 -9.231 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.803 16.947 -8.812 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -0.493 15.162 -7.143 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.901 14.361 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -1.483 14.039 -8.106 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -1.410 16.265 -11.081 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -1.221 14.841 -10.031 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.848 15.422 -10.457 1.00 0.00 H new ATOM 22 N VAL A 2 -4.535 13.695 -6.516 1.00 0.00 N ATOM 23 CA VAL A 2 -5.107 13.133 -5.299 1.00 0.00 C ATOM 24 C VAL A 2 -5.021 11.607 -5.311 1.00 0.00 C ATOM 25 O VAL A 2 -5.041 10.986 -6.375 1.00 0.00 O ATOM 26 CB VAL A 2 -6.575 13.573 -5.121 1.00 0.00 C ATOM 27 CG1 VAL A 2 -7.474 12.938 -6.172 1.00 0.00 C ATOM 28 CG2 VAL A 2 -7.064 13.251 -3.718 1.00 0.00 C ATOM 0 H VAL A 2 -4.220 13.001 -7.194 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.526 13.512 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.621 14.653 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.502 13.268 -6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.140 13.238 -7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.425 11.853 -6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.101 13.569 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.994 12.177 -3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.447 13.776 -2.988 1.00 0.00 H new ATOM 38 N CYS A 3 -4.910 11.006 -4.129 1.00 0.00 N ATOM 39 CA CYS A 3 -4.803 9.557 -4.021 1.00 0.00 C ATOM 40 C CYS A 3 -6.044 8.942 -3.373 1.00 0.00 C ATOM 41 O CYS A 3 -6.377 7.793 -3.633 1.00 0.00 O ATOM 42 CB CYS A 3 -3.549 9.192 -3.229 1.00 0.00 C ATOM 43 SG CYS A 3 -3.743 9.252 -1.418 1.00 0.00 S ATOM 0 H CYS A 3 -4.892 11.500 -3.237 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.729 9.147 -5.028 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.237 8.187 -3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.745 9.869 -3.517 1.00 0.00 H new ATOM 48 N HIS A 4 -6.715 9.710 -2.522 1.00 0.00 N ATOM 49 CA HIS A 4 -7.912 9.241 -1.826 1.00 0.00 C ATOM 50 C HIS A 4 -7.606 7.988 -1.013 1.00 0.00 C ATOM 51 O HIS A 4 -6.595 7.323 -1.234 1.00 0.00 O ATOM 52 CB HIS A 4 -9.089 8.967 -2.783 1.00 0.00 C ATOM 53 CG HIS A 4 -8.772 9.073 -4.245 1.00 0.00 C ATOM 54 ND1 HIS A 4 -9.085 8.081 -5.149 1.00 0.00 N ATOM 55 CD2 HIS A 4 -8.188 10.062 -4.962 1.00 0.00 C ATOM 56 CE1 HIS A 4 -8.710 8.453 -6.357 1.00 0.00 C ATOM 57 NE2 HIS A 4 -8.162 9.651 -6.274 1.00 0.00 N ATOM 0 H HIS A 4 -6.449 10.668 -2.295 1.00 0.00 H new ATOM 0 HA HIS A 4 -8.216 10.046 -1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -9.471 7.966 -2.584 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -9.893 9.666 -2.552 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -9.537 7.196 -4.919 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -7.813 10.998 -4.576 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.831 7.875 -7.261 1.00 0.00 H new ATOM 66 N THR A 5 -8.483 7.676 -0.065 1.00 0.00 N ATOM 67 CA THR A 5 -8.305 6.511 0.786 1.00 0.00 C ATOM 68 C THR A 5 -9.097 5.332 0.246 1.00 0.00 C ATOM 69 O THR A 5 -9.635 4.536 1.013 1.00 0.00 O ATOM 70 CB THR A 5 -8.747 6.822 2.216 1.00 0.00 C ATOM 71 OG1 THR A 5 -8.450 8.166 2.555 1.00 0.00 O ATOM 72 CG2 THR A 5 -8.092 5.933 3.251 1.00 0.00 C ATOM 0 H THR A 5 -9.325 8.217 0.132 1.00 0.00 H new ATOM 0 HA THR A 5 -7.246 6.251 0.792 1.00 0.00 H new ATOM 0 HB THR A 5 -9.822 6.641 2.230 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.743 8.344 3.473 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.449 6.206 4.244 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.344 4.892 3.049 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.010 6.059 3.207 1.00 0.00 H new ATOM 80 N THR A 6 -9.164 5.229 -1.081 1.00 0.00 N ATOM 81 CA THR A 6 -9.892 4.148 -1.743 1.00 0.00 C ATOM 82 C THR A 6 -9.730 2.833 -0.988 1.00 0.00 C ATOM 83 O THR A 6 -10.653 2.021 -0.935 1.00 0.00 O ATOM 84 CB THR A 6 -9.398 3.986 -3.182 1.00 0.00 C ATOM 85 OG1 THR A 6 -9.400 5.230 -3.857 1.00 0.00 O ATOM 86 CG2 THR A 6 -10.227 3.019 -3.997 1.00 0.00 C ATOM 0 H THR A 6 -8.719 5.886 -1.722 1.00 0.00 H new ATOM 0 HA THR A 6 -10.950 4.409 -1.752 1.00 0.00 H new ATOM 0 HB THR A 6 -8.388 3.586 -3.095 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.711 5.102 -4.777 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.821 2.953 -5.006 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.201 2.034 -3.530 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.257 3.372 -4.043 1.00 0.00 H new ATOM 94 N ALA A 7 -8.548 2.640 -0.400 1.00 0.00 N ATOM 95 CA ALA A 7 -8.243 1.433 0.364 1.00 0.00 C ATOM 96 C ALA A 7 -8.919 0.209 -0.241 1.00 0.00 C ATOM 97 O ALA A 7 -9.974 -0.222 0.221 1.00 0.00 O ATOM 98 CB ALA A 7 -8.656 1.610 1.818 1.00 0.00 C ATOM 0 H ALA A 7 -7.781 3.312 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.166 1.271 0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.423 0.703 2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.114 2.451 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.727 1.803 1.871 1.00 0.00 H new ATOM 104 N THR A 8 -8.303 -0.333 -1.288 1.00 0.00 N ATOM 105 CA THR A 8 -8.826 -1.504 -1.988 1.00 0.00 C ATOM 106 C THR A 8 -9.939 -1.116 -2.961 1.00 0.00 C ATOM 107 O THR A 8 -9.960 -1.586 -4.098 1.00 0.00 O ATOM 108 CB THR A 8 -9.323 -2.574 -1.010 1.00 0.00 C ATOM 109 OG1 THR A 8 -10.659 -2.325 -0.614 1.00 0.00 O ATOM 110 CG2 THR A 8 -8.479 -2.687 0.243 1.00 0.00 C ATOM 0 H THR A 8 -7.430 0.025 -1.675 1.00 0.00 H new ATOM 0 HA THR A 8 -8.000 -1.928 -2.559 1.00 0.00 H new ATOM 0 HB THR A 8 -9.250 -3.512 -1.560 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.672 -1.624 0.071 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.889 -3.463 0.889 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.456 -2.945 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.484 -1.734 0.772 1.00 0.00 H new ATOM 118 N SER A 9 -10.864 -0.257 -2.525 1.00 0.00 N ATOM 119 CA SER A 9 -11.955 0.166 -3.397 1.00 0.00 C ATOM 120 C SER A 9 -12.794 1.296 -2.785 1.00 0.00 C ATOM 121 O SER A 9 -12.781 2.418 -3.292 1.00 0.00 O ATOM 122 CB SER A 9 -12.840 -1.029 -3.751 1.00 0.00 C ATOM 123 OG SER A 9 -12.479 -2.172 -2.994 1.00 0.00 O ATOM 0 H SER A 9 -10.878 0.151 -1.590 1.00 0.00 H new ATOM 0 HA SER A 9 -11.505 0.565 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.885 -0.780 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.750 -1.250 -4.815 1.00 0.00 H new ATOM 0 HG SER A 9 -12.521 -2.968 -3.564 1.00 0.00 H new ATOM 129 N PRO A 10 -13.558 1.029 -1.705 1.00 0.00 N ATOM 130 CA PRO A 10 -14.411 2.046 -1.075 1.00 0.00 C ATOM 131 C PRO A 10 -13.658 2.935 -0.068 1.00 0.00 C ATOM 132 O PRO A 10 -12.580 3.443 -0.372 1.00 0.00 O ATOM 133 CB PRO A 10 -15.457 1.174 -0.386 1.00 0.00 C ATOM 134 CG PRO A 10 -14.669 0.011 0.088 1.00 0.00 C ATOM 135 CD PRO A 10 -13.685 -0.280 -1.018 1.00 0.00 C ATOM 0 HA PRO A 10 -14.815 2.767 -1.786 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -15.938 1.698 0.440 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -16.246 0.872 -1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.155 0.238 1.022 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.312 -0.848 0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.728 -0.625 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.052 -1.055 -1.691 1.00 0.00 H new ATOM 143 N ILE A 11 -14.240 3.124 1.125 1.00 0.00 N ATOM 144 CA ILE A 11 -13.646 3.949 2.179 1.00 0.00 C ATOM 145 C ILE A 11 -13.937 5.444 1.963 1.00 0.00 C ATOM 146 O ILE A 11 -15.079 5.876 2.118 1.00 0.00 O ATOM 147 CB ILE A 11 -12.128 3.702 2.324 1.00 0.00 C ATOM 148 CG1 ILE A 11 -11.847 2.207 2.508 1.00 0.00 C ATOM 149 CG2 ILE A 11 -11.571 4.496 3.499 1.00 0.00 C ATOM 150 CD1 ILE A 11 -12.709 1.551 3.567 1.00 0.00 C ATOM 0 H ILE A 11 -15.135 2.708 1.383 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.119 3.646 3.113 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.633 4.039 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.004 1.697 1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.798 2.073 2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.500 4.311 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.743 5.560 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.070 4.186 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.453 0.494 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.535 2.034 4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.760 1.652 3.295 1.00 0.00 H new ATOM 162 N SER A 12 -12.917 6.242 1.619 1.00 0.00 N ATOM 163 CA SER A 12 -13.119 7.675 1.410 1.00 0.00 C ATOM 164 C SER A 12 -11.969 8.296 0.615 1.00 0.00 C ATOM 165 O SER A 12 -11.202 7.591 -0.041 1.00 0.00 O ATOM 166 CB SER A 12 -13.271 8.387 2.758 1.00 0.00 C ATOM 167 OG SER A 12 -13.957 7.570 3.693 1.00 0.00 O ATOM 0 H SER A 12 -11.958 5.922 1.482 1.00 0.00 H new ATOM 0 HA SER A 12 -14.032 7.801 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.287 8.645 3.149 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.814 9.322 2.620 1.00 0.00 H new ATOM 0 HG SER A 12 -14.665 7.071 3.234 1.00 0.00 H new ATOM 173 N ALA A 13 -11.864 9.626 0.673 1.00 0.00 N ATOM 174 CA ALA A 13 -10.818 10.348 -0.047 1.00 0.00 C ATOM 175 C ALA A 13 -9.907 11.122 0.906 1.00 0.00 C ATOM 176 O ALA A 13 -10.310 12.131 1.483 1.00 0.00 O ATOM 177 CB ALA A 13 -11.442 11.296 -1.059 1.00 0.00 C ATOM 0 H ALA A 13 -12.492 10.223 1.212 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.204 9.613 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.655 11.830 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.039 10.726 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.080 12.012 -0.541 1.00 0.00 H new ATOM 183 N VAL A 14 -8.675 10.643 1.058 1.00 0.00 N ATOM 184 CA VAL A 14 -7.699 11.286 1.928 1.00 0.00 C ATOM 185 C VAL A 14 -7.157 12.566 1.297 1.00 0.00 C ATOM 186 O VAL A 14 -7.219 13.638 1.896 1.00 0.00 O ATOM 187 CB VAL A 14 -6.512 10.338 2.246 1.00 0.00 C ATOM 188 CG1 VAL A 14 -6.212 9.415 1.073 1.00 0.00 C ATOM 189 CG2 VAL A 14 -5.270 11.134 2.616 1.00 0.00 C ATOM 0 H VAL A 14 -8.329 9.807 0.586 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.217 11.532 2.855 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.802 9.723 3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.376 8.764 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.091 8.809 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.954 10.011 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.451 10.449 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.990 11.780 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.477 11.744 3.495 1.00 0.00 H new ATOM 199 N THR A 15 -6.603 12.433 0.095 1.00 0.00 N ATOM 200 CA THR A 15 -6.021 13.563 -0.619 1.00 0.00 C ATOM 201 C THR A 15 -4.789 14.074 0.112 1.00 0.00 C ATOM 202 O THR A 15 -4.834 14.343 1.313 1.00 0.00 O ATOM 203 CB THR A 15 -7.040 14.692 -0.793 1.00 0.00 C ATOM 204 OG1 THR A 15 -7.151 15.465 0.388 1.00 0.00 O ATOM 205 CG2 THR A 15 -8.422 14.197 -1.159 1.00 0.00 C ATOM 0 H THR A 15 -6.545 11.547 -0.407 1.00 0.00 H new ATOM 0 HA THR A 15 -5.726 13.218 -1.610 1.00 0.00 H new ATOM 0 HB THR A 15 -6.660 15.297 -1.616 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.835 14.941 1.153 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.096 15.047 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.375 13.649 -2.100 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.792 13.538 -0.374 1.00 0.00 H new ATOM 213 N CYS A 16 -3.688 14.204 -0.618 1.00 0.00 N ATOM 214 CA CYS A 16 -2.438 14.682 -0.035 1.00 0.00 C ATOM 215 C CYS A 16 -1.835 15.810 -0.874 1.00 0.00 C ATOM 216 O CYS A 16 -0.802 15.628 -1.518 1.00 0.00 O ATOM 217 CB CYS A 16 -1.434 13.529 0.089 1.00 0.00 C ATOM 218 SG CYS A 16 -1.508 12.632 1.679 1.00 0.00 S ATOM 0 H CYS A 16 -3.634 13.986 -1.613 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.658 15.073 0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.609 12.822 -0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.427 13.924 -0.045 1.00 0.00 H new ATOM 223 N PRO A 17 -2.486 16.991 -0.897 1.00 0.00 N ATOM 224 CA PRO A 17 -2.036 18.139 -1.669 1.00 0.00 C ATOM 225 C PRO A 17 -1.326 19.240 -0.858 1.00 0.00 C ATOM 226 O PRO A 17 -1.307 20.392 -1.293 1.00 0.00 O ATOM 227 CB PRO A 17 -3.368 18.669 -2.185 1.00 0.00 C ATOM 228 CG PRO A 17 -4.345 18.391 -1.077 1.00 0.00 C ATOM 229 CD PRO A 17 -3.741 17.306 -0.207 1.00 0.00 C ATOM 0 HA PRO A 17 -1.289 17.857 -2.411 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.311 19.735 -2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.663 18.169 -3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.531 19.293 -0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.305 18.069 -1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.566 17.655 0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.393 16.435 -0.137 1.00 0.00 H new ATOM 237 N PRO A 18 -0.728 18.939 0.316 1.00 0.00 N ATOM 238 CA PRO A 18 -0.041 19.957 1.111 1.00 0.00 C ATOM 239 C PRO A 18 1.383 20.200 0.625 1.00 0.00 C ATOM 240 O PRO A 18 1.768 19.735 -0.448 1.00 0.00 O ATOM 241 CB PRO A 18 -0.031 19.347 2.508 1.00 0.00 C ATOM 242 CG PRO A 18 0.052 17.879 2.269 1.00 0.00 C ATOM 243 CD PRO A 18 -0.660 17.614 0.964 1.00 0.00 C ATOM 0 HA PRO A 18 -0.530 20.929 1.055 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.818 19.703 3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.932 19.609 3.063 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.091 17.553 2.217 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.415 17.327 3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -0.114 16.898 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.654 17.199 1.129 1.00 0.00 H new ATOM 251 N GLY A 19 2.164 20.925 1.421 1.00 0.00 N ATOM 252 CA GLY A 19 3.537 21.205 1.050 1.00 0.00 C ATOM 253 C GLY A 19 4.379 19.945 0.999 1.00 0.00 C ATOM 254 O GLY A 19 5.122 19.648 1.933 1.00 0.00 O ATOM 0 H GLY A 19 1.870 21.322 2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.557 21.694 0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.971 21.903 1.766 1.00 0.00 H new ATOM 258 N GLU A 20 4.254 19.197 -0.094 1.00 0.00 N ATOM 259 CA GLU A 20 4.998 17.956 -0.263 1.00 0.00 C ATOM 260 C GLU A 20 4.535 16.913 0.755 1.00 0.00 C ATOM 261 O GLU A 20 4.652 17.114 1.964 1.00 0.00 O ATOM 262 CB GLU A 20 6.511 18.219 -0.142 1.00 0.00 C ATOM 263 CG GLU A 20 7.166 17.614 1.093 1.00 0.00 C ATOM 264 CD GLU A 20 8.658 17.872 1.147 1.00 0.00 C ATOM 265 OE1 GLU A 20 9.053 19.010 1.478 1.00 0.00 O ATOM 266 OE2 GLU A 20 9.434 16.936 0.856 1.00 0.00 O ATOM 0 H GLU A 20 3.643 19.431 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 20 4.802 17.561 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.006 17.825 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.679 19.296 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.697 18.026 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.986 16.539 1.105 1.00 0.00 H new ATOM 273 N ASN A 21 4.001 15.803 0.255 1.00 0.00 N ATOM 274 CA ASN A 21 3.514 14.731 1.118 1.00 0.00 C ATOM 275 C ASN A 21 3.740 13.370 0.466 1.00 0.00 C ATOM 276 O ASN A 21 4.490 12.541 0.981 1.00 0.00 O ATOM 277 CB ASN A 21 2.028 14.930 1.423 1.00 0.00 C ATOM 278 CG ASN A 21 1.714 14.767 2.896 1.00 0.00 C ATOM 279 OD1 ASN A 21 2.596 14.461 3.700 1.00 0.00 O ATOM 280 ND2 ASN A 21 0.453 14.970 3.259 1.00 0.00 N ATOM 0 H ASN A 21 3.894 15.622 -0.743 1.00 0.00 H new ATOM 0 HA ASN A 21 4.073 14.762 2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.723 15.924 1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.443 14.213 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.182 14.874 4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.245 15.222 2.559 1.00 0.00 H new ATOM 287 N LEU A 22 3.088 13.157 -0.674 1.00 0.00 N ATOM 288 CA LEU A 22 3.207 11.907 -1.424 1.00 0.00 C ATOM 289 C LEU A 22 2.517 10.760 -0.699 1.00 0.00 C ATOM 290 O LEU A 22 2.994 10.296 0.334 1.00 0.00 O ATOM 291 CB LEU A 22 4.679 11.565 -1.678 1.00 0.00 C ATOM 292 CG LEU A 22 5.417 12.533 -2.607 1.00 0.00 C ATOM 293 CD1 LEU A 22 4.795 12.522 -3.994 1.00 0.00 C ATOM 294 CD2 LEU A 22 5.414 13.940 -2.030 1.00 0.00 C ATOM 0 H LEU A 22 2.465 13.841 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 22 2.710 12.049 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.200 11.535 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.736 10.563 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 22 6.452 12.202 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.333 13.216 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.855 11.517 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.750 12.825 -3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.944 14.612 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.386 14.282 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.910 13.936 -1.060 1.00 0.00 H new ATOM 306 N CYS A 23 1.387 10.317 -1.252 1.00 0.00 N ATOM 307 CA CYS A 23 0.610 9.225 -0.669 1.00 0.00 C ATOM 308 C CYS A 23 1.394 7.909 -0.673 1.00 0.00 C ATOM 309 O CYS A 23 1.011 6.955 -1.349 1.00 0.00 O ATOM 310 CB CYS A 23 -0.715 9.060 -1.415 1.00 0.00 C ATOM 311 SG CYS A 23 -2.038 10.149 -0.791 1.00 0.00 S ATOM 0 H CYS A 23 0.988 10.701 -2.109 1.00 0.00 H new ATOM 0 HA CYS A 23 0.403 9.482 0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.555 9.265 -2.474 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.041 8.023 -1.336 1.00 0.00 H new ATOM 316 N TYR A 24 2.490 7.877 0.098 1.00 0.00 N ATOM 317 CA TYR A 24 3.364 6.701 0.219 1.00 0.00 C ATOM 318 C TYR A 24 2.651 5.399 -0.141 1.00 0.00 C ATOM 319 O TYR A 24 1.498 5.184 0.234 1.00 0.00 O ATOM 320 CB TYR A 24 3.910 6.610 1.648 1.00 0.00 C ATOM 321 CG TYR A 24 5.422 6.609 1.733 1.00 0.00 C ATOM 322 CD1 TYR A 24 6.190 7.383 0.871 1.00 0.00 C ATOM 323 CD2 TYR A 24 6.079 5.836 2.682 1.00 0.00 C ATOM 324 CE1 TYR A 24 7.570 7.386 0.953 1.00 0.00 C ATOM 325 CE2 TYR A 24 7.458 5.835 2.771 1.00 0.00 C ATOM 326 CZ TYR A 24 8.199 6.610 1.904 1.00 0.00 C ATOM 327 OH TYR A 24 9.572 6.612 1.990 1.00 0.00 O ATOM 0 H TYR A 24 2.797 8.672 0.659 1.00 0.00 H new ATOM 0 HA TYR A 24 4.180 6.830 -0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.525 7.449 2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.530 5.701 2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.701 7.992 0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.503 5.226 3.361 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.153 7.993 0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.953 5.230 3.516 1.00 0.00 H new ATOM 0 HH TYR A 24 9.944 6.024 1.300 1.00 0.00 H new ATOM 337 N ARG A 25 3.348 4.534 -0.873 1.00 0.00 N ATOM 338 CA ARG A 25 2.781 3.259 -1.289 1.00 0.00 C ATOM 339 C ARG A 25 3.701 2.093 -0.932 1.00 0.00 C ATOM 340 O ARG A 25 4.767 1.928 -1.523 1.00 0.00 O ATOM 341 CB ARG A 25 2.520 3.265 -2.796 1.00 0.00 C ATOM 342 CG ARG A 25 3.787 3.377 -3.633 1.00 0.00 C ATOM 343 CD ARG A 25 4.092 2.078 -4.363 1.00 0.00 C ATOM 344 NE ARG A 25 2.922 1.560 -5.068 1.00 0.00 N ATOM 345 CZ ARG A 25 2.449 2.078 -6.200 1.00 0.00 C ATOM 346 NH1 ARG A 25 3.046 3.123 -6.760 1.00 0.00 N ATOM 347 NH2 ARG A 25 1.378 1.546 -6.775 1.00 0.00 N ATOM 0 H ARG A 25 4.305 4.694 -1.189 1.00 0.00 H new ATOM 0 HA ARG A 25 1.840 3.126 -0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.994 2.350 -3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.859 4.097 -3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.675 4.184 -4.357 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.627 3.639 -2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.901 2.243 -5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.444 1.334 -3.648 1.00 0.00 H new ATOM 0 HE ARG A 25 2.439 0.755 -4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.871 3.533 -6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.679 3.516 -7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.918 0.741 -6.350 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.015 1.942 -7.642 1.00 0.00 H new ATOM 361 N LYS A 26 3.274 1.282 0.030 1.00 0.00 N ATOM 362 CA LYS A 26 4.050 0.122 0.455 1.00 0.00 C ATOM 363 C LYS A 26 3.309 -1.164 0.112 1.00 0.00 C ATOM 364 O LYS A 26 2.238 -1.437 0.656 1.00 0.00 O ATOM 365 CB LYS A 26 4.324 0.182 1.958 1.00 0.00 C ATOM 366 CG LYS A 26 3.106 0.565 2.785 1.00 0.00 C ATOM 367 CD LYS A 26 3.306 0.228 4.254 1.00 0.00 C ATOM 368 CE LYS A 26 4.349 1.127 4.897 1.00 0.00 C ATOM 369 NZ LYS A 26 5.206 0.384 5.862 1.00 0.00 N ATOM 0 H LYS A 26 2.394 1.407 0.531 1.00 0.00 H new ATOM 0 HA LYS A 26 5.003 0.133 -0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.688 -0.790 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.121 0.902 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.912 1.632 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.228 0.042 2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.359 0.332 4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.613 -0.813 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.975 1.569 4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.852 1.949 5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.904 1.033 6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.613 -0.016 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.701 -0.385 5.366 1.00 0.00 H new ATOM 383 N MET A 27 3.877 -1.952 -0.795 1.00 0.00 N ATOM 384 CA MET A 27 3.254 -3.205 -1.207 1.00 0.00 C ATOM 385 C MET A 27 4.285 -4.324 -1.323 1.00 0.00 C ATOM 386 O MET A 27 4.967 -4.455 -2.341 1.00 0.00 O ATOM 387 CB MET A 27 2.514 -3.033 -2.541 1.00 0.00 C ATOM 388 CG MET A 27 3.023 -1.882 -3.397 1.00 0.00 C ATOM 389 SD MET A 27 4.591 -2.257 -4.206 1.00 0.00 S ATOM 390 CE MET A 27 4.167 -3.761 -5.081 1.00 0.00 C ATOM 0 H MET A 27 4.763 -1.747 -1.257 1.00 0.00 H new ATOM 0 HA MET A 27 2.533 -3.481 -0.437 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.597 -3.958 -3.111 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.454 -2.878 -2.338 1.00 0.00 H new ATOM 0 HG2 MET A 27 2.277 -1.640 -4.154 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.143 -0.996 -2.773 1.00 0.00 H new ATOM 0 HE1 MET A 27 4.553 -3.711 -6.099 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.606 -4.617 -4.568 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.083 -3.872 -5.109 1.00 0.00 H new ATOM 400 N TRP A 28 4.384 -5.134 -0.276 1.00 0.00 N ATOM 401 CA TRP A 28 5.319 -6.255 -0.251 1.00 0.00 C ATOM 402 C TRP A 28 4.876 -7.346 -1.209 1.00 0.00 C ATOM 403 O TRP A 28 4.024 -7.125 -2.070 1.00 0.00 O ATOM 404 CB TRP A 28 5.432 -6.809 1.174 1.00 0.00 C ATOM 405 CG TRP A 28 6.767 -6.570 1.806 1.00 0.00 C ATOM 406 CD1 TRP A 28 7.974 -6.497 1.174 1.00 0.00 C ATOM 407 CD2 TRP A 28 7.031 -6.376 3.200 1.00 0.00 C ATOM 408 NE1 TRP A 28 8.973 -6.267 2.089 1.00 0.00 N ATOM 409 CE2 TRP A 28 8.419 -6.189 3.340 1.00 0.00 C ATOM 410 CE3 TRP A 28 6.227 -6.340 4.343 1.00 0.00 C ATOM 411 CZ2 TRP A 28 9.019 -5.970 4.577 1.00 0.00 C ATOM 412 CZ3 TRP A 28 6.825 -6.123 5.569 1.00 0.00 C ATOM 413 CH2 TRP A 28 8.209 -5.939 5.679 1.00 0.00 C ATOM 0 H TRP A 28 3.825 -5.035 0.572 1.00 0.00 H new ATOM 0 HA TRP A 28 6.298 -5.899 -0.572 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.659 -6.354 1.794 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.235 -7.881 1.155 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.123 -6.604 0.110 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.965 -6.170 1.872 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.159 -6.479 4.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 10.086 -5.830 4.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.214 -6.095 6.459 1.00 0.00 H new ATOM 0 HH2 TRP A 28 8.645 -5.769 6.652 1.00 0.00 H new ATOM 424 N CYS A 29 5.469 -8.519 -1.064 1.00 0.00 N ATOM 425 CA CYS A 29 5.148 -9.640 -1.926 1.00 0.00 C ATOM 426 C CYS A 29 4.903 -10.905 -1.105 1.00 0.00 C ATOM 427 O CYS A 29 4.757 -10.844 0.116 1.00 0.00 O ATOM 428 CB CYS A 29 6.276 -9.869 -2.932 1.00 0.00 C ATOM 429 SG CYS A 29 7.432 -8.472 -3.134 1.00 0.00 S ATOM 0 H CYS A 29 6.176 -8.718 -0.356 1.00 0.00 H new ATOM 0 HA CYS A 29 4.232 -9.405 -2.469 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.843 -10.747 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.835 -10.098 -3.902 1.00 0.00 H new ATOM 434 N ASP A 30 4.854 -12.047 -1.783 1.00 0.00 N ATOM 435 CA ASP A 30 4.622 -13.322 -1.112 1.00 0.00 C ATOM 436 C ASP A 30 5.938 -13.971 -0.691 1.00 0.00 C ATOM 437 O ASP A 30 6.093 -14.389 0.456 1.00 0.00 O ATOM 438 CB ASP A 30 3.843 -14.272 -2.025 1.00 0.00 C ATOM 439 CG ASP A 30 4.444 -14.366 -3.413 1.00 0.00 C ATOM 440 OD1 ASP A 30 4.427 -13.348 -4.137 1.00 0.00 O ATOM 441 OD2 ASP A 30 4.932 -15.457 -3.777 1.00 0.00 O ATOM 0 H ASP A 30 4.971 -12.116 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 30 4.034 -13.124 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.819 -15.265 -1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.810 -13.932 -2.102 1.00 0.00 H new ATOM 446 N ALA A 31 6.880 -14.055 -1.624 1.00 0.00 N ATOM 447 CA ALA A 31 8.178 -14.656 -1.343 1.00 0.00 C ATOM 448 C ALA A 31 9.251 -14.129 -2.289 1.00 0.00 C ATOM 449 O ALA A 31 10.086 -13.310 -1.903 1.00 0.00 O ATOM 450 CB ALA A 31 8.087 -16.173 -1.441 1.00 0.00 C ATOM 0 H ALA A 31 6.769 -13.715 -2.579 1.00 0.00 H new ATOM 0 HA ALA A 31 8.463 -14.380 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.063 -16.610 -1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.359 -16.541 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.774 -16.455 -2.446 1.00 0.00 H new ATOM 456 N PHE A 32 9.224 -14.604 -3.531 1.00 0.00 N ATOM 457 CA PHE A 32 10.197 -14.180 -4.533 1.00 0.00 C ATOM 458 C PHE A 32 9.702 -12.962 -5.311 1.00 0.00 C ATOM 459 O PHE A 32 10.255 -12.620 -6.356 1.00 0.00 O ATOM 460 CB PHE A 32 10.489 -15.329 -5.500 1.00 0.00 C ATOM 461 CG PHE A 32 11.731 -15.126 -6.319 1.00 0.00 C ATOM 462 CD1 PHE A 32 12.977 -15.445 -5.801 1.00 0.00 C ATOM 463 CD2 PHE A 32 11.654 -14.619 -7.606 1.00 0.00 C ATOM 464 CE1 PHE A 32 14.122 -15.261 -6.554 1.00 0.00 C ATOM 465 CE2 PHE A 32 12.796 -14.433 -8.363 1.00 0.00 C ATOM 466 CZ PHE A 32 14.031 -14.755 -7.836 1.00 0.00 C ATOM 0 H PHE A 32 8.540 -15.282 -3.867 1.00 0.00 H new ATOM 0 HA PHE A 32 11.113 -13.900 -4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.586 -16.255 -4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.638 -15.453 -6.170 1.00 0.00 H new ATOM 0 HD1 PHE A 32 13.054 -15.841 -4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.690 -14.366 -8.023 1.00 0.00 H new ATOM 0 HE1 PHE A 32 15.087 -15.513 -6.140 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.722 -14.037 -9.365 1.00 0.00 H new ATOM 0 HZ PHE A 32 14.925 -14.611 -8.425 1.00 0.00 H new ATOM 476 N CYS A 33 8.659 -12.309 -4.801 1.00 0.00 N ATOM 477 CA CYS A 33 8.095 -11.131 -5.456 1.00 0.00 C ATOM 478 C CYS A 33 7.856 -11.390 -6.941 1.00 0.00 C ATOM 479 O CYS A 33 8.650 -10.981 -7.787 1.00 0.00 O ATOM 480 CB CYS A 33 9.023 -9.927 -5.277 1.00 0.00 C ATOM 481 SG CYS A 33 9.204 -9.372 -3.549 1.00 0.00 S ATOM 0 H CYS A 33 8.188 -12.576 -3.937 1.00 0.00 H new ATOM 0 HA CYS A 33 7.135 -10.914 -4.988 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.008 -10.180 -5.670 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.644 -9.098 -5.875 1.00 0.00 H new ATOM 486 N SER A 34 6.758 -12.072 -7.247 1.00 0.00 N ATOM 487 CA SER A 34 6.416 -12.389 -8.629 1.00 0.00 C ATOM 488 C SER A 34 4.938 -12.122 -8.903 1.00 0.00 C ATOM 489 O SER A 34 4.265 -12.917 -9.559 1.00 0.00 O ATOM 490 CB SER A 34 6.749 -13.851 -8.932 1.00 0.00 C ATOM 491 OG SER A 34 6.338 -14.698 -7.873 1.00 0.00 O ATOM 0 H SER A 34 6.090 -12.416 -6.557 1.00 0.00 H new ATOM 0 HA SER A 34 7.006 -11.745 -9.281 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.258 -14.155 -9.856 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.822 -13.957 -9.091 1.00 0.00 H new ATOM 0 HG SER A 34 6.561 -15.627 -8.092 1.00 0.00 H new ATOM 497 N SER A 35 4.441 -10.998 -8.397 1.00 0.00 N ATOM 498 CA SER A 35 3.044 -10.624 -8.590 1.00 0.00 C ATOM 499 C SER A 35 2.109 -11.669 -7.986 1.00 0.00 C ATOM 500 O SER A 35 1.032 -11.934 -8.521 1.00 0.00 O ATOM 501 CB SER A 35 2.741 -10.453 -10.079 1.00 0.00 C ATOM 502 OG SER A 35 1.865 -9.361 -10.300 1.00 0.00 O ATOM 0 H SER A 35 4.985 -10.330 -7.850 1.00 0.00 H new ATOM 0 HA SER A 35 2.876 -9.676 -8.080 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.670 -10.294 -10.626 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.293 -11.367 -10.469 1.00 0.00 H new ATOM 0 HG SER A 35 1.688 -9.272 -11.260 1.00 0.00 H new ATOM 508 N ARG A 36 2.526 -12.256 -6.870 1.00 0.00 N ATOM 509 CA ARG A 36 1.724 -13.269 -6.194 1.00 0.00 C ATOM 510 C ARG A 36 1.582 -12.948 -4.708 1.00 0.00 C ATOM 511 O ARG A 36 1.475 -13.847 -3.875 1.00 0.00 O ATOM 512 CB ARG A 36 2.354 -14.652 -6.371 1.00 0.00 C ATOM 513 CG ARG A 36 1.491 -15.788 -5.844 1.00 0.00 C ATOM 514 CD ARG A 36 2.276 -16.708 -4.921 1.00 0.00 C ATOM 515 NE ARG A 36 2.049 -18.118 -5.230 1.00 0.00 N ATOM 516 CZ ARG A 36 2.691 -19.121 -4.636 1.00 0.00 C ATOM 517 NH1 ARG A 36 3.600 -18.874 -3.701 1.00 0.00 N ATOM 518 NH2 ARG A 36 2.423 -20.374 -4.978 1.00 0.00 N ATOM 0 H ARG A 36 3.414 -12.048 -6.414 1.00 0.00 H new ATOM 0 HA ARG A 36 0.731 -13.270 -6.644 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.552 -14.819 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.317 -14.671 -5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.636 -15.377 -5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.095 -16.363 -6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.340 -16.485 -5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.991 -16.513 -3.887 1.00 0.00 H new ATOM 0 HE ARG A 36 1.357 -18.347 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.809 -17.912 -3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.089 -19.646 -3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.725 -20.569 -5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.915 -21.143 -4.523 1.00 0.00 H new ATOM 532 N GLY A 37 1.583 -11.657 -4.385 1.00 0.00 N ATOM 533 CA GLY A 37 1.456 -11.236 -3.001 1.00 0.00 C ATOM 534 C GLY A 37 0.078 -10.690 -2.681 1.00 0.00 C ATOM 535 O GLY A 37 -0.851 -10.827 -3.477 1.00 0.00 O ATOM 0 H GLY A 37 1.670 -10.895 -5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.668 -12.082 -2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.204 -10.472 -2.787 1.00 0.00 H new ATOM 539 N LYS A 38 -0.056 -10.071 -1.511 1.00 0.00 N ATOM 540 CA LYS A 38 -1.331 -9.503 -1.083 1.00 0.00 C ATOM 541 C LYS A 38 -1.126 -8.456 0.005 1.00 0.00 C ATOM 542 O LYS A 38 -2.008 -8.228 0.833 1.00 0.00 O ATOM 543 CB LYS A 38 -2.261 -10.607 -0.574 1.00 0.00 C ATOM 544 CG LYS A 38 -1.735 -11.329 0.656 1.00 0.00 C ATOM 545 CD LYS A 38 -0.792 -12.460 0.279 1.00 0.00 C ATOM 546 CE LYS A 38 -1.491 -13.510 -0.568 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.838 -13.849 -0.033 1.00 0.00 N ATOM 0 H LYS A 38 0.704 -9.950 -0.842 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.789 -9.019 -1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.233 -10.173 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.419 -11.333 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.215 -10.620 1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.571 -11.728 1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.060 -12.057 -0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.399 -12.924 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.588 -13.146 -1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.879 -14.411 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.260 -14.605 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.749 -14.173 0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.447 -13.007 -0.067 1.00 0.00 H new ATOM 561 N VAL A 39 0.039 -7.814 -0.002 1.00 0.00 N ATOM 562 CA VAL A 39 0.342 -6.789 0.985 1.00 0.00 C ATOM 563 C VAL A 39 -0.352 -5.480 0.631 1.00 0.00 C ATOM 564 O VAL A 39 -0.310 -5.036 -0.516 1.00 0.00 O ATOM 565 CB VAL A 39 1.856 -6.552 1.111 1.00 0.00 C ATOM 566 CG1 VAL A 39 2.153 -5.608 2.268 1.00 0.00 C ATOM 567 CG2 VAL A 39 2.584 -7.878 1.288 1.00 0.00 C ATOM 0 H VAL A 39 0.784 -7.986 -0.678 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.030 -7.147 1.945 1.00 0.00 H new ATOM 0 HB VAL A 39 2.216 -6.085 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.229 -5.451 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.658 -4.652 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.784 -6.044 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.655 -7.696 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.225 -8.373 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.394 -8.515 0.425 1.00 0.00 H new ATOM 577 N VAL A 40 -1.008 -4.877 1.617 1.00 0.00 N ATOM 578 CA VAL A 40 -1.732 -3.631 1.396 1.00 0.00 C ATOM 579 C VAL A 40 -1.501 -2.636 2.531 1.00 0.00 C ATOM 580 O VAL A 40 -1.369 -3.024 3.691 1.00 0.00 O ATOM 581 CB VAL A 40 -3.247 -3.893 1.260 1.00 0.00 C ATOM 582 CG1 VAL A 40 -3.933 -2.737 0.552 1.00 0.00 C ATOM 583 CG2 VAL A 40 -3.505 -5.204 0.525 1.00 0.00 C ATOM 0 H VAL A 40 -1.053 -5.229 2.573 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.349 -3.203 0.470 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.668 -3.976 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.000 -2.944 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.785 -1.821 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.507 -2.616 -0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.579 -5.368 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.066 -5.155 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.054 -6.027 1.080 1.00 0.00 H new ATOM 593 N GLU A 41 -1.467 -1.350 2.185 1.00 0.00 N ATOM 594 CA GLU A 41 -1.264 -0.289 3.169 1.00 0.00 C ATOM 595 C GLU A 41 -1.346 1.096 2.511 1.00 0.00 C ATOM 596 O GLU A 41 -2.442 1.606 2.280 1.00 0.00 O ATOM 597 CB GLU A 41 0.075 -0.474 3.894 1.00 0.00 C ATOM 598 CG GLU A 41 -0.048 -1.213 5.218 1.00 0.00 C ATOM 599 CD GLU A 41 0.319 -0.346 6.407 1.00 0.00 C ATOM 600 OE1 GLU A 41 -0.295 0.730 6.569 1.00 0.00 O ATOM 601 OE2 GLU A 41 1.221 -0.742 7.174 1.00 0.00 O ATOM 0 H GLU A 41 -1.578 -1.017 1.227 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.063 -0.354 3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.758 -1.021 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.520 0.505 4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.071 -1.571 5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.597 -2.091 5.201 1.00 0.00 H new ATOM 608 N LEU A 42 -0.192 1.702 2.205 1.00 0.00 N ATOM 609 CA LEU A 42 -0.161 3.023 1.574 1.00 0.00 C ATOM 610 C LEU A 42 -0.901 4.058 2.424 1.00 0.00 C ATOM 611 O LEU A 42 -1.761 3.707 3.231 1.00 0.00 O ATOM 612 CB LEU A 42 -0.792 2.959 0.179 1.00 0.00 C ATOM 613 CG LEU A 42 -0.276 1.835 -0.722 1.00 0.00 C ATOM 614 CD1 LEU A 42 -1.073 0.558 -0.505 1.00 0.00 C ATOM 615 CD2 LEU A 42 -0.331 2.259 -2.182 1.00 0.00 C ATOM 0 H LEU A 42 0.728 1.299 2.384 1.00 0.00 H new ATOM 0 HA LEU A 42 0.882 3.327 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.870 2.846 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.622 3.912 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 42 0.762 1.634 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.688 -0.226 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.981 0.244 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.122 0.740 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.039 1.449 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.361 2.489 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.289 3.144 -2.328 1.00 0.00 H new ATOM 627 N GLY A 43 -0.576 5.339 2.233 1.00 0.00 N ATOM 628 CA GLY A 43 -1.248 6.380 2.992 1.00 0.00 C ATOM 629 C GLY A 43 -0.370 7.572 3.337 1.00 0.00 C ATOM 630 O GLY A 43 -0.285 7.961 4.503 1.00 0.00 O ATOM 0 H GLY A 43 0.131 5.668 1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.108 6.731 2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.633 5.948 3.916 1.00 0.00 H new ATOM 634 N CYS A 44 0.264 8.178 2.332 1.00 0.00 N ATOM 635 CA CYS A 44 1.108 9.353 2.563 1.00 0.00 C ATOM 636 C CYS A 44 2.223 9.077 3.564 1.00 0.00 C ATOM 637 O CYS A 44 2.140 8.153 4.373 1.00 0.00 O ATOM 638 CB CYS A 44 0.251 10.535 3.029 1.00 0.00 C ATOM 639 SG CYS A 44 0.408 12.024 1.985 1.00 0.00 S ATOM 0 H CYS A 44 0.211 7.879 1.358 1.00 0.00 H new ATOM 0 HA CYS A 44 1.584 9.603 1.615 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.794 10.227 3.049 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.528 10.790 4.052 1.00 0.00 H new ATOM 644 N ALA A 45 3.273 9.893 3.491 1.00 0.00 N ATOM 645 CA ALA A 45 4.421 9.749 4.380 1.00 0.00 C ATOM 646 C ALA A 45 5.111 11.089 4.623 1.00 0.00 C ATOM 647 O ALA A 45 5.550 11.376 5.737 1.00 0.00 O ATOM 648 CB ALA A 45 5.410 8.747 3.806 1.00 0.00 C ATOM 0 H ALA A 45 3.351 10.661 2.824 1.00 0.00 H new ATOM 0 HA ALA A 45 4.055 9.381 5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.261 8.650 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.923 7.778 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.756 9.094 2.832 1.00 0.00 H new ATOM 654 N ALA A 46 5.207 11.902 3.571 1.00 0.00 N ATOM 655 CA ALA A 46 5.848 13.214 3.659 1.00 0.00 C ATOM 656 C ALA A 46 7.365 13.087 3.575 1.00 0.00 C ATOM 657 O ALA A 46 8.099 13.771 4.288 1.00 0.00 O ATOM 658 CB ALA A 46 5.440 13.937 4.937 1.00 0.00 C ATOM 0 H ALA A 46 4.847 11.674 2.644 1.00 0.00 H new ATOM 0 HA ALA A 46 5.509 13.808 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.931 14.910 4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.359 14.075 4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.738 13.344 5.802 1.00 0.00 H new ATOM 664 N THR A 47 7.825 12.206 2.692 1.00 0.00 N ATOM 665 CA THR A 47 9.252 11.983 2.501 1.00 0.00 C ATOM 666 C THR A 47 9.508 11.202 1.214 1.00 0.00 C ATOM 667 O THR A 47 9.767 9.999 1.247 1.00 0.00 O ATOM 668 CB THR A 47 9.834 11.229 3.697 1.00 0.00 C ATOM 669 OG1 THR A 47 11.195 10.906 3.473 1.00 0.00 O ATOM 670 CG2 THR A 47 9.102 9.942 4.008 1.00 0.00 C ATOM 0 H THR A 47 7.227 11.634 2.096 1.00 0.00 H new ATOM 0 HA THR A 47 9.743 12.953 2.421 1.00 0.00 H new ATOM 0 HB THR A 47 9.723 11.905 4.545 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.549 10.425 4.250 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.566 9.458 4.867 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.059 10.162 4.236 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.152 9.277 3.146 1.00 0.00 H new ATOM 678 N CYS A 48 9.429 11.895 0.082 1.00 0.00 N ATOM 679 CA CYS A 48 9.646 11.268 -1.217 1.00 0.00 C ATOM 680 C CYS A 48 11.102 10.864 -1.403 1.00 0.00 C ATOM 681 O CYS A 48 11.380 9.725 -1.777 1.00 0.00 O ATOM 682 CB CYS A 48 9.206 12.205 -2.342 1.00 0.00 C ATOM 683 SG CYS A 48 9.397 11.516 -4.021 1.00 0.00 S ATOM 0 H CYS A 48 9.216 12.892 0.038 1.00 0.00 H new ATOM 0 HA CYS A 48 9.041 10.362 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.160 12.470 -2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.782 13.128 -2.274 1.00 0.00 H new ATOM 688 N PRO A 49 12.063 11.768 -1.131 1.00 0.00 N ATOM 689 CA PRO A 49 13.483 11.442 -1.258 1.00 0.00 C ATOM 690 C PRO A 49 13.893 10.463 -0.167 1.00 0.00 C ATOM 691 O PRO A 49 14.755 10.751 0.663 1.00 0.00 O ATOM 692 CB PRO A 49 14.182 12.790 -1.077 1.00 0.00 C ATOM 693 CG PRO A 49 13.231 13.608 -0.273 1.00 0.00 C ATOM 694 CD PRO A 49 11.850 13.150 -0.658 1.00 0.00 C ATOM 0 HA PRO A 49 13.735 10.967 -2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.136 12.675 -0.563 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.392 13.259 -2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.404 13.468 0.794 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.360 14.670 -0.480 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.166 13.183 0.190 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.422 13.779 -1.438 1.00 0.00 H new ATOM 702 N SER A 50 13.227 9.315 -0.165 1.00 0.00 N ATOM 703 CA SER A 50 13.456 8.281 0.824 1.00 0.00 C ATOM 704 C SER A 50 14.143 7.061 0.197 1.00 0.00 C ATOM 705 O SER A 50 15.320 7.129 -0.157 1.00 0.00 O ATOM 706 CB SER A 50 12.110 7.907 1.456 1.00 0.00 C ATOM 707 OG SER A 50 12.266 6.914 2.453 1.00 0.00 O ATOM 0 H SER A 50 12.512 9.079 -0.853 1.00 0.00 H new ATOM 0 HA SER A 50 14.127 8.652 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.652 8.795 1.893 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.431 7.546 0.683 1.00 0.00 H new ATOM 0 HG SER A 50 11.402 6.485 2.625 1.00 0.00 H new ATOM 713 N LYS A 51 13.406 5.951 0.059 1.00 0.00 N ATOM 714 CA LYS A 51 13.940 4.719 -0.528 1.00 0.00 C ATOM 715 C LYS A 51 15.402 4.490 -0.154 1.00 0.00 C ATOM 716 O LYS A 51 16.302 4.722 -0.961 1.00 0.00 O ATOM 717 CB LYS A 51 13.792 4.746 -2.052 1.00 0.00 C ATOM 718 CG LYS A 51 14.252 6.046 -2.691 1.00 0.00 C ATOM 719 CD LYS A 51 14.569 5.860 -4.165 1.00 0.00 C ATOM 720 CE LYS A 51 15.297 7.068 -4.736 1.00 0.00 C ATOM 721 NZ LYS A 51 16.599 6.693 -5.357 1.00 0.00 N ATOM 0 H LYS A 51 12.430 5.883 0.349 1.00 0.00 H new ATOM 0 HA LYS A 51 13.360 3.892 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.363 3.921 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.746 4.576 -2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.476 6.803 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.136 6.415 -2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.182 4.969 -4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.645 5.696 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.666 7.553 -5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.470 7.795 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.062 7.545 -5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 17.212 6.254 -4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.433 6.019 -6.131 1.00 0.00 H new ATOM 735 N LYS A 52 15.634 4.025 1.070 1.00 0.00 N ATOM 736 CA LYS A 52 16.992 3.755 1.533 1.00 0.00 C ATOM 737 C LYS A 52 17.269 2.253 1.540 1.00 0.00 C ATOM 738 O LYS A 52 18.217 1.791 0.904 1.00 0.00 O ATOM 739 CB LYS A 52 17.232 4.351 2.927 1.00 0.00 C ATOM 740 CG LYS A 52 16.427 5.613 3.205 1.00 0.00 C ATOM 741 CD LYS A 52 15.173 5.315 4.014 1.00 0.00 C ATOM 742 CE LYS A 52 15.509 4.690 5.359 1.00 0.00 C ATOM 743 NZ LYS A 52 14.378 4.805 6.321 1.00 0.00 N ATOM 0 H LYS A 52 14.905 3.828 1.755 1.00 0.00 H new ATOM 0 HA LYS A 52 17.683 4.233 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.986 3.602 3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.293 4.577 3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.047 6.328 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.148 6.082 2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.613 6.237 4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.527 4.641 3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.761 3.639 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.391 5.176 5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.646 4.367 7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.154 5.809 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.543 4.319 5.935 1.00 0.00 H new ATOM 757 N PRO A 53 16.445 1.460 2.254 1.00 0.00 N ATOM 758 CA PRO A 53 16.601 0.018 2.333 1.00 0.00 C ATOM 759 C PRO A 53 15.762 -0.700 1.280 1.00 0.00 C ATOM 760 O PRO A 53 14.940 -0.081 0.604 1.00 0.00 O ATOM 761 CB PRO A 53 16.083 -0.305 3.742 1.00 0.00 C ATOM 762 CG PRO A 53 15.336 0.917 4.207 1.00 0.00 C ATOM 763 CD PRO A 53 15.290 1.879 3.046 1.00 0.00 C ATOM 0 HA PRO A 53 17.627 -0.304 2.154 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.430 -1.177 3.726 1.00 0.00 H new ATOM 0 HB3 PRO A 53 16.908 -0.537 4.416 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.328 0.653 4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 53 15.835 1.371 5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 53 14.359 1.796 2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.374 2.916 3.372 1.00 0.00 H new ATOM 771 N TYR A 54 15.969 -2.004 1.148 1.00 0.00 N ATOM 772 CA TYR A 54 15.217 -2.801 0.170 1.00 0.00 C ATOM 773 C TYR A 54 13.774 -3.000 0.630 1.00 0.00 C ATOM 774 O TYR A 54 13.382 -4.100 1.021 1.00 0.00 O ATOM 775 CB TYR A 54 15.899 -4.158 -0.037 1.00 0.00 C ATOM 776 CG TYR A 54 17.016 -4.372 0.945 1.00 0.00 C ATOM 777 CD1 TYR A 54 16.767 -4.916 2.194 1.00 0.00 C ATOM 778 CD2 TYR A 54 18.304 -3.966 0.645 1.00 0.00 C ATOM 779 CE1 TYR A 54 17.775 -5.055 3.119 1.00 0.00 C ATOM 780 CE2 TYR A 54 19.323 -4.108 1.558 1.00 0.00 C ATOM 781 CZ TYR A 54 19.057 -4.652 2.798 1.00 0.00 C ATOM 782 OH TYR A 54 20.070 -4.788 3.719 1.00 0.00 O ATOM 0 H TYR A 54 16.644 -2.535 1.698 1.00 0.00 H new ATOM 0 HA TYR A 54 15.203 -2.262 -0.778 1.00 0.00 H new ATOM 0 HB2 TYR A 54 15.163 -4.955 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 54 16.290 -4.218 -1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.766 -5.236 2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 54 18.513 -3.531 -0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 54 17.566 -5.477 4.091 1.00 0.00 H new ATOM 0 HE2 TYR A 54 20.326 -3.796 1.306 1.00 0.00 H new ATOM 0 HH TYR A 54 20.909 -4.458 3.334 1.00 0.00 H new ATOM 792 N GLU A 55 12.990 -1.927 0.587 1.00 0.00 N ATOM 793 CA GLU A 55 11.592 -1.988 1.006 1.00 0.00 C ATOM 794 C GLU A 55 10.652 -1.957 -0.195 1.00 0.00 C ATOM 795 O GLU A 55 10.997 -2.420 -1.282 1.00 0.00 O ATOM 796 CB GLU A 55 11.253 -0.826 1.941 1.00 0.00 C ATOM 797 CG GLU A 55 12.415 -0.348 2.797 1.00 0.00 C ATOM 798 CD GLU A 55 12.082 0.912 3.572 1.00 0.00 C ATOM 799 OE1 GLU A 55 11.789 1.943 2.931 1.00 0.00 O ATOM 800 OE2 GLU A 55 12.113 0.866 4.820 1.00 0.00 O ATOM 0 H GLU A 55 13.296 -1.008 0.268 1.00 0.00 H new ATOM 0 HA GLU A 55 11.455 -2.930 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.889 0.010 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.436 -1.129 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.697 -1.136 3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.280 -0.162 2.160 1.00 0.00 H new ATOM 807 N GLU A 56 9.454 -1.412 0.017 1.00 0.00 N ATOM 808 CA GLU A 56 8.455 -1.322 -1.031 1.00 0.00 C ATOM 809 C GLU A 56 7.713 0.014 -0.975 1.00 0.00 C ATOM 810 O GLU A 56 6.649 0.166 -1.578 1.00 0.00 O ATOM 811 CB GLU A 56 7.471 -2.478 -0.883 1.00 0.00 C ATOM 812 CG GLU A 56 6.585 -2.374 0.350 1.00 0.00 C ATOM 813 CD GLU A 56 7.345 -2.640 1.635 1.00 0.00 C ATOM 814 OE1 GLU A 56 8.234 -3.518 1.628 1.00 0.00 O ATOM 815 OE2 GLU A 56 7.052 -1.971 2.648 1.00 0.00 O ATOM 0 H GLU A 56 9.157 -1.026 0.913 1.00 0.00 H new ATOM 0 HA GLU A 56 8.954 -1.383 -1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.840 -2.522 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.028 -3.414 -0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.143 -1.379 0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.763 -3.085 0.264 1.00 0.00 H new ATOM 822 N VAL A 57 8.275 0.979 -0.248 1.00 0.00 N ATOM 823 CA VAL A 57 7.657 2.295 -0.118 1.00 0.00 C ATOM 824 C VAL A 57 8.195 3.268 -1.163 1.00 0.00 C ATOM 825 O VAL A 57 9.395 3.307 -1.432 1.00 0.00 O ATOM 826 CB VAL A 57 7.882 2.893 1.285 1.00 0.00 C ATOM 827 CG1 VAL A 57 7.306 1.980 2.355 1.00 0.00 C ATOM 828 CG2 VAL A 57 9.362 3.150 1.534 1.00 0.00 C ATOM 0 H VAL A 57 9.154 0.873 0.258 1.00 0.00 H new ATOM 0 HA VAL A 57 6.588 2.151 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 57 7.361 3.849 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.475 2.420 3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.235 1.858 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.794 1.007 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.495 3.572 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.912 2.212 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.740 3.851 0.790 1.00 0.00 H new ATOM 838 N THR A 58 7.296 4.051 -1.750 1.00 0.00 N ATOM 839 CA THR A 58 7.673 5.022 -2.764 1.00 0.00 C ATOM 840 C THR A 58 6.644 6.146 -2.855 1.00 0.00 C ATOM 841 O THR A 58 5.448 5.892 -3.007 1.00 0.00 O ATOM 842 CB THR A 58 7.808 4.333 -4.120 1.00 0.00 C ATOM 843 OG1 THR A 58 8.764 3.291 -4.059 1.00 0.00 O ATOM 844 CG2 THR A 58 8.218 5.275 -5.227 1.00 0.00 C ATOM 0 H THR A 58 6.298 4.030 -1.538 1.00 0.00 H new ATOM 0 HA THR A 58 8.632 5.456 -2.480 1.00 0.00 H new ATOM 0 HB THR A 58 6.817 3.942 -4.349 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.835 2.861 -4.937 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.296 4.723 -6.164 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.471 6.062 -5.331 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.183 5.721 -4.987 1.00 0.00 H new ATOM 852 N CYS A 59 7.117 7.389 -2.762 1.00 0.00 N ATOM 853 CA CYS A 59 6.235 8.558 -2.839 1.00 0.00 C ATOM 854 C CYS A 59 5.209 8.394 -3.961 1.00 0.00 C ATOM 855 O CYS A 59 5.550 7.986 -5.070 1.00 0.00 O ATOM 856 CB CYS A 59 7.041 9.850 -3.048 1.00 0.00 C ATOM 857 SG CYS A 59 8.650 9.632 -3.884 1.00 0.00 S ATOM 0 H CYS A 59 8.104 7.614 -2.633 1.00 0.00 H new ATOM 0 HA CYS A 59 5.706 8.632 -1.889 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.438 10.546 -3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.214 10.313 -2.077 1.00 0.00 H new ATOM 862 N CYS A 60 3.948 8.694 -3.656 1.00 0.00 N ATOM 863 CA CYS A 60 2.872 8.555 -4.633 1.00 0.00 C ATOM 864 C CYS A 60 2.249 9.911 -4.996 1.00 0.00 C ATOM 865 O CYS A 60 2.748 10.609 -5.879 1.00 0.00 O ATOM 866 CB CYS A 60 1.815 7.584 -4.088 1.00 0.00 C ATOM 867 SG CYS A 60 1.797 5.967 -4.927 1.00 0.00 S ATOM 0 H CYS A 60 3.648 9.034 -2.742 1.00 0.00 H new ATOM 0 HA CYS A 60 3.290 8.150 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.993 7.428 -3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.831 8.043 -4.183 1.00 0.00 H new ATOM 872 N SER A 61 1.160 10.278 -4.318 1.00 0.00 N ATOM 873 CA SER A 61 0.472 11.544 -4.572 1.00 0.00 C ATOM 874 C SER A 61 -0.113 11.592 -5.982 1.00 0.00 C ATOM 875 O SER A 61 -1.321 11.449 -6.168 1.00 0.00 O ATOM 876 CB SER A 61 1.422 12.727 -4.362 1.00 0.00 C ATOM 877 OG SER A 61 1.002 13.861 -5.104 1.00 0.00 O ATOM 0 H SER A 61 0.734 9.712 -3.584 1.00 0.00 H new ATOM 0 HA SER A 61 -0.350 11.616 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.465 12.978 -3.302 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.431 12.445 -4.664 1.00 0.00 H new ATOM 0 HG SER A 61 1.625 14.602 -4.950 1.00 0.00 H new ATOM 883 N THR A 62 0.752 11.813 -6.968 1.00 0.00 N ATOM 884 CA THR A 62 0.332 11.905 -8.367 1.00 0.00 C ATOM 885 C THR A 62 -0.665 10.808 -8.740 1.00 0.00 C ATOM 886 O THR A 62 -0.466 9.636 -8.423 1.00 0.00 O ATOM 887 CB THR A 62 1.549 11.830 -9.289 1.00 0.00 C ATOM 888 OG1 THR A 62 1.165 12.002 -10.642 1.00 0.00 O ATOM 889 CG2 THR A 62 2.296 10.518 -9.187 1.00 0.00 C ATOM 0 H THR A 62 1.755 11.933 -6.824 1.00 0.00 H new ATOM 0 HA THR A 62 -0.167 12.866 -8.493 1.00 0.00 H new ATOM 0 HB THR A 62 2.210 12.633 -8.961 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.958 11.952 -11.216 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.148 10.531 -9.867 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.649 10.379 -8.165 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.630 9.698 -9.455 1.00 0.00 H new ATOM 897 N ASP A 63 -1.732 11.207 -9.429 1.00 0.00 N ATOM 898 CA ASP A 63 -2.765 10.271 -9.868 1.00 0.00 C ATOM 899 C ASP A 63 -3.350 9.490 -8.695 1.00 0.00 C ATOM 900 O ASP A 63 -2.864 9.580 -7.568 1.00 0.00 O ATOM 901 CB ASP A 63 -2.190 9.302 -10.905 1.00 0.00 C ATOM 902 CG ASP A 63 -2.953 9.339 -12.215 1.00 0.00 C ATOM 903 OD1 ASP A 63 -3.206 10.451 -12.723 1.00 0.00 O ATOM 904 OD2 ASP A 63 -3.296 8.256 -12.733 1.00 0.00 O ATOM 0 H ASP A 63 -1.904 12.176 -9.696 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.570 10.851 -10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.145 9.549 -11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.212 8.289 -10.503 1.00 0.00 H new ATOM 909 N LYS A 64 -4.394 8.717 -8.977 1.00 0.00 N ATOM 910 CA LYS A 64 -5.049 7.908 -7.957 1.00 0.00 C ATOM 911 C LYS A 64 -4.106 6.811 -7.475 1.00 0.00 C ATOM 912 O LYS A 64 -4.137 5.687 -7.975 1.00 0.00 O ATOM 913 CB LYS A 64 -6.338 7.291 -8.509 1.00 0.00 C ATOM 914 CG LYS A 64 -7.156 8.242 -9.374 1.00 0.00 C ATOM 915 CD LYS A 64 -7.578 7.590 -10.682 1.00 0.00 C ATOM 916 CE LYS A 64 -9.045 7.188 -10.658 1.00 0.00 C ATOM 917 NZ LYS A 64 -9.270 5.870 -11.314 1.00 0.00 N ATOM 0 H LYS A 64 -4.805 8.634 -9.907 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.305 8.550 -7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.084 6.408 -9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.954 6.953 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.041 8.563 -8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.570 9.137 -9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.403 8.281 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.962 6.710 -10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.393 7.144 -9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.639 7.951 -11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.282 5.632 -11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.962 5.919 -12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.724 5.137 -10.818 1.00 0.00 H new ATOM 931 N CYS A 65 -3.253 7.154 -6.516 1.00 0.00 N ATOM 932 CA CYS A 65 -2.279 6.209 -5.985 1.00 0.00 C ATOM 933 C CYS A 65 -2.795 5.479 -4.745 1.00 0.00 C ATOM 934 O CYS A 65 -2.011 4.889 -4.002 1.00 0.00 O ATOM 935 CB CYS A 65 -0.976 6.938 -5.655 1.00 0.00 C ATOM 936 SG CYS A 65 0.495 6.232 -6.461 1.00 0.00 S ATOM 0 H CYS A 65 -3.217 8.080 -6.091 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.101 5.457 -6.754 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.072 7.983 -5.950 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -0.828 6.924 -4.575 1.00 0.00 H new ATOM 941 N ASN A 66 -4.106 5.511 -4.520 1.00 0.00 N ATOM 942 CA ASN A 66 -4.685 4.835 -3.357 1.00 0.00 C ATOM 943 C ASN A 66 -4.271 3.366 -3.311 1.00 0.00 C ATOM 944 O ASN A 66 -3.815 2.806 -4.308 1.00 0.00 O ATOM 945 CB ASN A 66 -6.215 4.927 -3.356 1.00 0.00 C ATOM 946 CG ASN A 66 -6.813 4.962 -4.748 1.00 0.00 C ATOM 947 OD1 ASN A 66 -6.852 3.948 -5.448 1.00 0.00 O ATOM 948 ND2 ASN A 66 -7.283 6.134 -5.156 1.00 0.00 N ATOM 0 H ASN A 66 -4.781 5.990 -5.116 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.301 5.345 -2.473 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.623 4.074 -2.814 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.518 5.823 -2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.698 6.222 -6.084 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.229 6.947 -4.542 1.00 0.00 H new ATOM 955 N PRO A 67 -4.432 2.721 -2.142 1.00 0.00 N ATOM 956 CA PRO A 67 -4.080 1.309 -1.961 1.00 0.00 C ATOM 957 C PRO A 67 -4.697 0.416 -3.034 1.00 0.00 C ATOM 958 O PRO A 67 -5.911 0.419 -3.235 1.00 0.00 O ATOM 959 CB PRO A 67 -4.666 0.970 -0.589 1.00 0.00 C ATOM 960 CG PRO A 67 -4.714 2.269 0.137 1.00 0.00 C ATOM 961 CD PRO A 67 -4.974 3.320 -0.908 1.00 0.00 C ATOM 0 HA PRO A 67 -3.005 1.146 -2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.660 0.532 -0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.045 0.245 -0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.501 2.266 0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.775 2.460 0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.038 3.538 -1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.476 4.259 -0.665 1.00 0.00 H new ATOM 969 N HIS A 68 -3.853 -0.348 -3.719 1.00 0.00 N ATOM 970 CA HIS A 68 -4.317 -1.246 -4.769 1.00 0.00 C ATOM 971 C HIS A 68 -3.678 -2.626 -4.626 1.00 0.00 C ATOM 972 O HIS A 68 -2.534 -2.831 -5.031 1.00 0.00 O ATOM 973 CB HIS A 68 -3.993 -0.665 -6.146 1.00 0.00 C ATOM 974 CG HIS A 68 -5.044 0.267 -6.665 1.00 0.00 C ATOM 975 ND1 HIS A 68 -6.392 -0.021 -6.622 1.00 0.00 N ATOM 976 CD2 HIS A 68 -4.939 1.488 -7.240 1.00 0.00 C ATOM 977 CE1 HIS A 68 -7.071 0.983 -7.150 1.00 0.00 C ATOM 978 NE2 HIS A 68 -6.213 1.911 -7.531 1.00 0.00 N ATOM 0 H HIS A 68 -2.845 -0.363 -3.566 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.397 -1.351 -4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.042 -0.134 -6.093 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.862 -1.483 -6.855 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.024 2.029 -7.434 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.145 1.035 -7.252 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.457 2.799 -7.970 1.00 0.00 H new ATOM 987 N PRO A 69 -4.409 -3.596 -4.045 1.00 0.00 N ATOM 988 CA PRO A 69 -3.902 -4.958 -3.852 1.00 0.00 C ATOM 989 C PRO A 69 -3.283 -5.534 -5.120 1.00 0.00 C ATOM 990 O PRO A 69 -3.471 -4.999 -6.213 1.00 0.00 O ATOM 991 CB PRO A 69 -5.150 -5.746 -3.459 1.00 0.00 C ATOM 992 CG PRO A 69 -6.043 -4.742 -2.817 1.00 0.00 C ATOM 993 CD PRO A 69 -5.784 -3.441 -3.528 1.00 0.00 C ATOM 0 HA PRO A 69 -3.106 -4.995 -3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.624 -6.198 -4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.907 -6.557 -2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.089 -5.035 -2.909 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.829 -4.654 -1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.499 -3.275 -4.334 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.864 -2.591 -2.851 1.00 0.00 H new ATOM 1001 N LYS A 70 -2.544 -6.627 -4.966 1.00 0.00 N ATOM 1002 CA LYS A 70 -1.894 -7.278 -6.099 1.00 0.00 C ATOM 1003 C LYS A 70 -2.473 -8.670 -6.335 1.00 0.00 C ATOM 1004 O LYS A 70 -2.507 -9.153 -7.467 1.00 0.00 O ATOM 1005 CB LYS A 70 -0.380 -7.369 -5.875 1.00 0.00 C ATOM 1006 CG LYS A 70 0.023 -7.485 -4.411 1.00 0.00 C ATOM 1007 CD LYS A 70 1.516 -7.274 -4.227 1.00 0.00 C ATOM 1008 CE LYS A 70 2.323 -8.332 -4.961 1.00 0.00 C ATOM 1009 NZ LYS A 70 3.752 -7.939 -5.111 1.00 0.00 N ATOM 0 H LYS A 70 -2.380 -7.081 -4.068 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.082 -6.672 -6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.006 -8.232 -6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.094 -6.486 -6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.525 -6.749 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.256 -8.468 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.793 -6.285 -4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.760 -7.301 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.261 -9.276 -4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.888 -8.501 -5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.312 -8.768 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.834 -7.199 -5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.109 -7.575 -4.204 1.00 0.00 H new ATOM 1023 N GLN A 71 -2.930 -9.310 -5.262 1.00 0.00 N ATOM 1024 CA GLN A 71 -3.510 -10.646 -5.358 1.00 0.00 C ATOM 1025 C GLN A 71 -4.738 -10.656 -6.268 1.00 0.00 C ATOM 1026 O GLN A 71 -5.177 -11.719 -6.701 1.00 0.00 O ATOM 1027 CB GLN A 71 -3.892 -11.164 -3.969 1.00 0.00 C ATOM 1028 CG GLN A 71 -4.992 -10.359 -3.297 1.00 0.00 C ATOM 1029 CD GLN A 71 -5.186 -10.739 -1.842 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -5.347 -9.875 -0.980 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -5.170 -12.037 -1.562 1.00 0.00 N ATOM 0 H GLN A 71 -2.910 -8.926 -4.317 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.756 -11.302 -5.793 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.214 -12.202 -4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.007 -11.156 -3.332 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.752 -9.298 -3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.928 -10.509 -3.836 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.033 -12.718 -2.309 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.294 -12.353 -0.600 1.00 0.00 H new ATOM 1040 N ARG A 72 -5.286 -9.464 -6.541 1.00 0.00 N ATOM 1041 CA ARG A 72 -6.471 -9.300 -7.395 1.00 0.00 C ATOM 1042 C ARG A 72 -7.400 -10.527 -7.354 1.00 0.00 C ATOM 1043 O ARG A 72 -8.329 -10.562 -6.548 1.00 0.00 O ATOM 1044 CB ARG A 72 -6.056 -8.956 -8.829 1.00 0.00 C ATOM 1045 CG ARG A 72 -5.851 -7.467 -9.059 1.00 0.00 C ATOM 1046 CD ARG A 72 -4.735 -7.207 -10.057 1.00 0.00 C ATOM 1047 NE ARG A 72 -3.440 -7.664 -9.560 1.00 0.00 N ATOM 1048 CZ ARG A 72 -2.389 -7.907 -10.342 1.00 0.00 C ATOM 1049 NH1 ARG A 72 -2.477 -7.736 -11.655 1.00 0.00 N ATOM 1050 NH2 ARG A 72 -1.247 -8.320 -9.809 1.00 0.00 N ATOM 0 H ARG A 72 -4.920 -8.585 -6.176 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.048 -8.466 -6.995 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.133 -9.483 -9.068 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.819 -9.321 -9.517 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.777 -7.023 -9.423 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.615 -6.980 -8.113 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.962 -7.713 -10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.684 -6.140 -10.274 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.334 -7.805 -8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.352 -7.417 -12.070 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.669 -7.923 -12.249 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.173 -8.452 -8.800 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.443 -8.506 -10.408 1.00 0.00 H new ATOM 1064 N PRO A 73 -7.177 -11.558 -8.203 1.00 0.00 N ATOM 1065 CA PRO A 73 -8.026 -12.755 -8.200 1.00 0.00 C ATOM 1066 C PRO A 73 -7.964 -13.493 -6.868 1.00 0.00 C ATOM 1067 O PRO A 73 -7.289 -13.054 -5.937 1.00 0.00 O ATOM 1068 CB PRO A 73 -7.444 -13.624 -9.321 1.00 0.00 C ATOM 1069 CG PRO A 73 -6.056 -13.126 -9.514 1.00 0.00 C ATOM 1070 CD PRO A 73 -6.102 -11.657 -9.209 1.00 0.00 C ATOM 0 HA PRO A 73 -9.077 -12.507 -8.348 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.450 -14.679 -9.046 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.028 -13.530 -10.237 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.360 -13.641 -8.852 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.715 -13.303 -10.534 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.150 -11.296 -8.819 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.326 -11.067 -10.098 1.00 0.00 H new ATOM 1078 N GLY A 74 -8.672 -14.614 -6.780 1.00 0.00 N ATOM 1079 CA GLY A 74 -8.680 -15.390 -5.554 1.00 0.00 C ATOM 1080 C GLY A 74 -9.199 -14.596 -4.371 1.00 0.00 C ATOM 1081 O GLY A 74 -10.370 -14.165 -4.414 1.00 0.00 O ATOM 1082 OXT GLY A 74 -8.434 -14.404 -3.403 1.00 0.00 O ATOM 0 H GLY A 74 -9.240 -14.999 -7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.299 -16.277 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.669 -15.737 -5.340 1.00 0.00 H new TER 1086 GLY A 74 ATOM 1087 N TYR B 181 -6.693 -19.372 23.318 1.00 0.00 N ATOM 1088 CA TYR B 181 -5.711 -18.537 24.062 1.00 0.00 C ATOM 1089 C TYR B 181 -4.494 -18.194 23.201 1.00 0.00 C ATOM 1090 O TYR B 181 -3.697 -17.329 23.563 1.00 0.00 O ATOM 1091 CB TYR B 181 -5.271 -19.291 25.320 1.00 0.00 C ATOM 1092 CG TYR B 181 -4.920 -20.742 25.076 1.00 0.00 C ATOM 1093 CD1 TYR B 181 -3.873 -21.092 24.232 1.00 0.00 C ATOM 1094 CD2 TYR B 181 -5.637 -21.761 25.690 1.00 0.00 C ATOM 1095 CE1 TYR B 181 -3.551 -22.418 24.008 1.00 0.00 C ATOM 1096 CE2 TYR B 181 -5.321 -23.087 25.471 1.00 0.00 C ATOM 1097 CZ TYR B 181 -4.279 -23.411 24.630 1.00 0.00 C ATOM 1098 OH TYR B 181 -3.961 -24.732 24.409 1.00 0.00 O ATOM 0 HA TYR B 181 -6.191 -17.597 24.335 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -4.406 -18.786 25.750 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -6.070 -19.240 26.060 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -3.302 -20.316 23.743 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -6.455 -21.512 26.350 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -2.734 -22.675 23.350 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -5.888 -23.867 25.957 1.00 0.00 H new ATOM 0 HH TYR B 181 -4.568 -25.305 24.922 1.00 0.00 H new ATOM 1110 N ARG B 182 -4.355 -18.873 22.064 1.00 0.00 N ATOM 1111 CA ARG B 182 -3.233 -18.628 21.166 1.00 0.00 C ATOM 1112 C ARG B 182 -3.697 -17.910 19.902 1.00 0.00 C ATOM 1113 O ARG B 182 -3.599 -18.447 18.797 1.00 0.00 O ATOM 1114 CB ARG B 182 -2.549 -19.946 20.798 1.00 0.00 C ATOM 1115 CG ARG B 182 -1.493 -20.385 21.800 1.00 0.00 C ATOM 1116 CD ARG B 182 -0.090 -20.063 21.310 1.00 0.00 C ATOM 1117 NE ARG B 182 0.153 -20.579 19.965 1.00 0.00 N ATOM 1118 CZ ARG B 182 0.295 -21.872 19.681 1.00 0.00 C ATOM 1119 NH1 ARG B 182 0.218 -22.783 20.643 1.00 0.00 N ATOM 1120 NH2 ARG B 182 0.515 -22.256 18.431 1.00 0.00 N ATOM 0 H ARG B 182 -5.003 -19.593 21.745 1.00 0.00 H new ATOM 0 HA ARG B 182 -2.517 -17.989 21.683 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -3.305 -20.727 20.714 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -2.086 -19.844 19.816 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -1.668 -19.890 22.755 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -1.581 -21.457 21.976 1.00 0.00 H new ATOM 0 HD2 ARG B 182 0.057 -18.983 21.316 1.00 0.00 H new ATOM 0 HD3 ARG B 182 0.641 -20.488 21.998 1.00 0.00 H new ATOM 0 HE ARG B 182 0.218 -19.909 19.198 1.00 0.00 H new ATOM 0 HH11 ARG B 182 0.049 -22.494 21.607 1.00 0.00 H new ATOM 0 HH12 ARG B 182 0.328 -23.772 20.419 1.00 0.00 H new ATOM 0 HH21 ARG B 182 0.575 -21.561 17.687 1.00 0.00 H new ATOM 0 HH22 ARG B 182 0.624 -23.247 18.213 1.00 0.00 H new ATOM 1134 N GLY B 183 -4.203 -16.693 20.072 1.00 0.00 N ATOM 1135 CA GLY B 183 -4.676 -15.921 18.937 1.00 0.00 C ATOM 1136 C GLY B 183 -3.587 -15.674 17.913 1.00 0.00 C ATOM 1137 O GLY B 183 -2.621 -14.960 18.183 1.00 0.00 O ATOM 0 H GLY B 183 -4.294 -16.227 20.975 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -5.504 -16.447 18.463 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -5.065 -14.965 19.288 1.00 0.00 H new ATOM 1141 N TRP B 184 -3.741 -16.265 16.732 1.00 0.00 N ATOM 1142 CA TRP B 184 -2.763 -16.105 15.661 1.00 0.00 C ATOM 1143 C TRP B 184 -2.606 -14.636 15.281 1.00 0.00 C ATOM 1144 O TRP B 184 -3.592 -13.920 15.108 1.00 0.00 O ATOM 1145 CB TRP B 184 -3.181 -16.919 14.435 1.00 0.00 C ATOM 1146 CG TRP B 184 -4.589 -16.652 13.995 1.00 0.00 C ATOM 1147 CD1 TRP B 184 -5.003 -15.704 13.103 1.00 0.00 C ATOM 1148 CD2 TRP B 184 -5.768 -17.341 14.426 1.00 0.00 C ATOM 1149 NE1 TRP B 184 -6.368 -15.762 12.954 1.00 0.00 N ATOM 1150 CE2 TRP B 184 -6.860 -16.759 13.755 1.00 0.00 C ATOM 1151 CE3 TRP B 184 -6.006 -18.394 15.314 1.00 0.00 C ATOM 1152 CZ2 TRP B 184 -8.169 -17.195 13.944 1.00 0.00 C ATOM 1153 CZ3 TRP B 184 -7.306 -18.826 15.500 1.00 0.00 C ATOM 1154 CH2 TRP B 184 -8.373 -18.228 14.818 1.00 0.00 C ATOM 0 H TRP B 184 -4.534 -16.860 16.492 1.00 0.00 H new ATOM 0 HA TRP B 184 -1.803 -16.472 16.023 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -2.502 -16.696 13.612 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -3.073 -17.980 14.659 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -4.353 -15.011 12.590 1.00 0.00 H new ATOM 0 HE1 TRP B 184 -6.924 -15.161 12.346 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -5.190 -18.861 15.845 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 -8.993 -16.735 13.420 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 -7.502 -19.639 16.183 1.00 0.00 H new ATOM 0 HH2 TRP B 184 -9.377 -18.589 14.985 1.00 0.00 H new ATOM 1165 N LYS B 185 -1.359 -14.193 15.154 1.00 0.00 N ATOM 1166 CA LYS B 185 -1.072 -12.808 14.795 1.00 0.00 C ATOM 1167 C LYS B 185 -1.705 -12.451 13.454 1.00 0.00 C ATOM 1168 O LYS B 185 -1.562 -13.183 12.474 1.00 0.00 O ATOM 1169 CB LYS B 185 0.438 -12.575 14.736 1.00 0.00 C ATOM 1170 CG LYS B 185 0.829 -11.106 14.766 1.00 0.00 C ATOM 1171 CD LYS B 185 2.295 -10.912 14.416 1.00 0.00 C ATOM 1172 CE LYS B 185 2.633 -9.442 14.229 1.00 0.00 C ATOM 1173 NZ LYS B 185 2.476 -8.672 15.494 1.00 0.00 N ATOM 0 H LYS B 185 -0.531 -14.772 15.294 1.00 0.00 H new ATOM 0 HA LYS B 185 -1.502 -12.165 15.563 1.00 0.00 H new ATOM 0 HB2 LYS B 185 0.909 -13.085 15.576 1.00 0.00 H new ATOM 0 HB3 LYS B 185 0.832 -13.029 13.827 1.00 0.00 H new ATOM 0 HG2 LYS B 185 0.209 -10.549 14.063 1.00 0.00 H new ATOM 0 HG3 LYS B 185 0.633 -10.697 15.757 1.00 0.00 H new ATOM 0 HD2 LYS B 185 2.917 -11.332 15.206 1.00 0.00 H new ATOM 0 HD3 LYS B 185 2.528 -11.459 13.502 1.00 0.00 H new ATOM 0 HE2 LYS B 185 3.658 -9.348 13.871 1.00 0.00 H new ATOM 0 HE3 LYS B 185 1.987 -9.015 13.462 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 2.764 -7.685 15.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 1.481 -8.699 15.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 3.073 -9.094 16.234 1.00 0.00 H new ATOM 1187 N HIS B 186 -2.409 -11.323 13.418 1.00 0.00 N ATOM 1188 CA HIS B 186 -3.065 -10.872 12.197 1.00 0.00 C ATOM 1189 C HIS B 186 -2.092 -10.105 11.308 1.00 0.00 C ATOM 1190 O HIS B 186 -1.829 -8.924 11.533 1.00 0.00 O ATOM 1191 CB HIS B 186 -4.269 -9.991 12.535 1.00 0.00 C ATOM 1192 CG HIS B 186 -5.326 -10.700 13.322 1.00 0.00 C ATOM 1193 ND1 HIS B 186 -6.287 -11.501 12.739 1.00 0.00 N ATOM 1194 CD2 HIS B 186 -5.570 -10.730 14.653 1.00 0.00 C ATOM 1195 CE1 HIS B 186 -7.076 -11.991 13.679 1.00 0.00 C ATOM 1196 NE2 HIS B 186 -6.663 -11.539 14.848 1.00 0.00 N ATOM 0 H HIS B 186 -2.539 -10.706 14.220 1.00 0.00 H new ATOM 0 HA HIS B 186 -3.409 -11.752 11.653 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -3.927 -9.124 13.100 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -4.706 -9.617 11.609 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -5.010 -10.214 15.419 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -7.916 -12.650 13.518 1.00 0.00 H new ATOM 0 HE2 HIS B 186 -7.087 -11.755 15.750 1.00 0.00 H new ATOM 1205 N TRP B 187 -1.560 -10.787 10.296 1.00 0.00 N ATOM 1206 CA TRP B 187 -0.614 -10.176 9.369 1.00 0.00 C ATOM 1207 C TRP B 187 -1.140 -8.848 8.833 1.00 0.00 C ATOM 1208 O TRP B 187 -2.343 -8.590 8.855 1.00 0.00 O ATOM 1209 CB TRP B 187 -0.315 -11.128 8.209 1.00 0.00 C ATOM 1210 CG TRP B 187 -1.491 -11.956 7.781 1.00 0.00 C ATOM 1211 CD1 TRP B 187 -2.639 -11.511 7.190 1.00 0.00 C ATOM 1212 CD2 TRP B 187 -1.630 -13.374 7.915 1.00 0.00 C ATOM 1213 NE1 TRP B 187 -3.483 -12.568 6.947 1.00 0.00 N ATOM 1214 CE2 TRP B 187 -2.886 -13.723 7.383 1.00 0.00 C ATOM 1215 CE3 TRP B 187 -0.813 -14.384 8.433 1.00 0.00 C ATOM 1216 CZ2 TRP B 187 -3.344 -15.038 7.354 1.00 0.00 C ATOM 1217 CZ3 TRP B 187 -1.269 -15.690 8.404 1.00 0.00 C ATOM 1218 CH2 TRP B 187 -2.524 -16.007 7.867 1.00 0.00 C ATOM 0 H TRP B 187 -1.770 -11.765 10.098 1.00 0.00 H new ATOM 0 HA TRP B 187 0.308 -9.979 9.916 1.00 0.00 H new ATOM 0 HB2 TRP B 187 0.037 -10.547 7.357 1.00 0.00 H new ATOM 0 HB3 TRP B 187 0.499 -11.793 8.499 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -2.852 -10.480 6.949 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -4.404 -12.504 6.513 1.00 0.00 H new ATOM 0 HE3 TRP B 187 0.156 -14.149 8.848 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -4.311 -15.284 6.942 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -0.647 -16.478 8.802 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -2.851 -17.036 7.858 1.00 0.00 H new ATOM 1229 N VAL B 188 -0.227 -8.005 8.360 1.00 0.00 N ATOM 1230 CA VAL B 188 -0.585 -6.702 7.827 1.00 0.00 C ATOM 1231 C VAL B 188 -0.763 -6.748 6.309 1.00 0.00 C ATOM 1232 O VAL B 188 -1.414 -5.879 5.730 1.00 0.00 O ATOM 1233 CB VAL B 188 0.494 -5.661 8.184 1.00 0.00 C ATOM 1234 CG1 VAL B 188 1.883 -6.225 7.919 1.00 0.00 C ATOM 1235 CG2 VAL B 188 0.275 -4.370 7.416 1.00 0.00 C ATOM 0 H VAL B 188 0.773 -8.207 8.337 1.00 0.00 H new ATOM 0 HA VAL B 188 -1.535 -6.414 8.278 1.00 0.00 H new ATOM 0 HB VAL B 188 0.415 -5.433 9.247 1.00 0.00 H new ATOM 0 HG11 VAL B 188 2.634 -5.478 8.176 1.00 0.00 H new ATOM 0 HG12 VAL B 188 2.036 -7.117 8.527 1.00 0.00 H new ATOM 0 HG13 VAL B 188 1.975 -6.484 6.864 1.00 0.00 H new ATOM 0 HG21 VAL B 188 1.049 -3.651 7.685 1.00 0.00 H new ATOM 0 HG22 VAL B 188 0.322 -4.571 6.346 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -0.704 -3.960 7.665 1.00 0.00 H new ATOM 1245 N TYR B 189 -0.173 -7.753 5.668 1.00 0.00 N ATOM 1246 CA TYR B 189 -0.265 -7.886 4.223 1.00 0.00 C ATOM 1247 C TYR B 189 -1.600 -8.492 3.804 1.00 0.00 C ATOM 1248 O TYR B 189 -1.666 -9.649 3.397 1.00 0.00 O ATOM 1249 CB TYR B 189 0.892 -8.736 3.691 1.00 0.00 C ATOM 1250 CG TYR B 189 1.052 -10.081 4.372 1.00 0.00 C ATOM 1251 CD1 TYR B 189 1.809 -10.208 5.530 1.00 0.00 C ATOM 1252 CD2 TYR B 189 0.460 -11.227 3.850 1.00 0.00 C ATOM 1253 CE1 TYR B 189 1.969 -11.433 6.150 1.00 0.00 C ATOM 1254 CE2 TYR B 189 0.614 -12.455 4.465 1.00 0.00 C ATOM 1255 CZ TYR B 189 1.369 -12.553 5.614 1.00 0.00 C ATOM 1256 OH TYR B 189 1.526 -13.773 6.229 1.00 0.00 O ATOM 0 H TYR B 189 0.371 -8.483 6.127 1.00 0.00 H new ATOM 0 HA TYR B 189 -0.199 -6.887 3.792 1.00 0.00 H new ATOM 0 HB2 TYR B 189 0.745 -8.899 2.623 1.00 0.00 H new ATOM 0 HB3 TYR B 189 1.819 -8.174 3.803 1.00 0.00 H new ATOM 0 HD1 TYR B 189 2.281 -9.334 5.953 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -0.130 -11.156 2.948 1.00 0.00 H new ATOM 0 HE1 TYR B 189 2.561 -11.513 7.050 1.00 0.00 H new ATOM 0 HE2 TYR B 189 0.145 -13.334 4.047 1.00 0.00 H new ATOM 0 HH TYR B 189 0.804 -13.907 6.878 1.00 0.00 H new ATOM 1266 N TYR B 190 -2.661 -7.699 3.907 1.00 0.00 N ATOM 1267 CA TYR B 190 -3.995 -8.157 3.537 1.00 0.00 C ATOM 1268 C TYR B 190 -4.934 -6.978 3.286 1.00 0.00 C ATOM 1269 O TYR B 190 -5.125 -6.136 4.162 1.00 0.00 O ATOM 1270 CB TYR B 190 -4.564 -9.047 4.647 1.00 0.00 C ATOM 1271 CG TYR B 190 -4.926 -10.453 4.207 1.00 0.00 C ATOM 1272 CD1 TYR B 190 -4.236 -11.097 3.185 1.00 0.00 C ATOM 1273 CD2 TYR B 190 -5.961 -11.141 4.830 1.00 0.00 C ATOM 1274 CE1 TYR B 190 -4.568 -12.380 2.797 1.00 0.00 C ATOM 1275 CE2 TYR B 190 -6.297 -12.426 4.448 1.00 0.00 C ATOM 1276 CZ TYR B 190 -5.598 -13.041 3.432 1.00 0.00 C ATOM 1277 OH TYR B 190 -5.929 -14.320 3.050 1.00 0.00 O ATOM 0 H TYR B 190 -2.623 -6.737 4.243 1.00 0.00 H new ATOM 0 HA TYR B 190 -3.914 -8.730 2.613 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -3.834 -9.110 5.454 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -5.453 -8.569 5.058 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -3.427 -10.585 2.686 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -6.512 -10.663 5.626 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -4.023 -12.864 2.000 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -7.104 -12.946 4.943 1.00 0.00 H new ATOM 0 HH TYR B 190 -6.675 -14.642 3.598 1.00 0.00 H new ATOM 1287 N THR B 191 -5.517 -6.931 2.084 1.00 0.00 N ATOM 1288 CA THR B 191 -6.453 -5.862 1.701 1.00 0.00 C ATOM 1289 C THR B 191 -7.238 -5.342 2.907 1.00 0.00 C ATOM 1290 O THR B 191 -7.566 -6.099 3.820 1.00 0.00 O ATOM 1291 CB THR B 191 -7.425 -6.372 0.629 1.00 0.00 C ATOM 1292 OG1 THR B 191 -8.585 -5.560 0.573 1.00 0.00 O ATOM 1293 CG2 THR B 191 -7.883 -7.796 0.859 1.00 0.00 C ATOM 0 H THR B 191 -5.358 -7.624 1.353 1.00 0.00 H new ATOM 0 HA THR B 191 -5.866 -5.036 1.299 1.00 0.00 H new ATOM 0 HB THR B 191 -6.864 -6.331 -0.304 1.00 0.00 H new ATOM 0 HG1 THR B 191 -9.190 -5.902 -0.118 1.00 0.00 H new ATOM 0 HG21 THR B 191 -8.568 -8.091 0.064 1.00 0.00 H new ATOM 0 HG22 THR B 191 -7.019 -8.461 0.859 1.00 0.00 H new ATOM 0 HG23 THR B 191 -8.393 -7.864 1.820 1.00 0.00 H new ATOM 1301 N CYS B 192 -7.523 -4.042 2.909 1.00 0.00 N ATOM 1302 CA CYS B 192 -8.254 -3.420 4.012 1.00 0.00 C ATOM 1303 C CYS B 192 -9.573 -4.089 4.265 1.00 0.00 C ATOM 1304 O CYS B 192 -9.875 -4.515 5.380 1.00 0.00 O ATOM 1305 CB CYS B 192 -8.523 -1.921 3.731 1.00 0.00 C ATOM 1306 SG CYS B 192 -10.273 -1.423 3.350 1.00 0.00 S ATOM 0 H CYS B 192 -7.260 -3.400 2.162 1.00 0.00 H new ATOM 0 HA CYS B 192 -7.620 -3.531 4.892 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -8.192 -1.351 4.599 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -7.896 -1.618 2.892 1.00 0.00 H new ATOM 1311 N CYS B 193 -10.401 -4.051 3.248 1.00 0.00 N ATOM 1312 CA CYS B 193 -11.750 -4.524 3.382 1.00 0.00 C ATOM 1313 C CYS B 193 -12.394 -4.792 2.022 1.00 0.00 C ATOM 1314 O CYS B 193 -11.909 -4.323 0.992 1.00 0.00 O ATOM 1315 CB CYS B 193 -12.524 -3.431 4.139 1.00 0.00 C ATOM 1316 SG CYS B 193 -11.461 -2.108 4.877 1.00 0.00 S ATOM 0 H CYS B 193 -10.161 -3.697 2.322 1.00 0.00 H new ATOM 0 HA CYS B 193 -11.767 -5.472 3.920 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -13.236 -2.968 3.455 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -13.104 -3.899 4.934 1.00 0.00 H new ATOM 1321 N PRO B 194 -13.506 -5.549 2.006 1.00 0.00 N ATOM 1322 CA PRO B 194 -14.225 -5.874 0.774 1.00 0.00 C ATOM 1323 C PRO B 194 -15.174 -4.755 0.352 1.00 0.00 C ATOM 1324 O PRO B 194 -15.955 -4.256 1.162 1.00 0.00 O ATOM 1325 CB PRO B 194 -15.012 -7.119 1.169 1.00 0.00 C ATOM 1326 CG PRO B 194 -15.319 -6.914 2.614 1.00 0.00 C ATOM 1327 CD PRO B 194 -14.156 -6.145 3.190 1.00 0.00 C ATOM 0 HA PRO B 194 -13.559 -6.017 -0.077 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -15.923 -7.219 0.578 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -14.429 -8.026 1.010 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -16.250 -6.361 2.739 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -15.444 -7.869 3.124 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -14.490 -5.380 3.890 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -13.474 -6.799 3.734 1.00 0.00 H new ATOM 1335 N ASP B 195 -15.102 -4.364 -0.916 1.00 0.00 N ATOM 1336 CA ASP B 195 -15.957 -3.301 -1.438 1.00 0.00 C ATOM 1337 C ASP B 195 -17.424 -3.705 -1.386 1.00 0.00 C ATOM 1338 O ASP B 195 -17.993 -4.138 -2.389 1.00 0.00 O ATOM 1339 CB ASP B 195 -15.567 -2.965 -2.877 1.00 0.00 C ATOM 1340 CG ASP B 195 -15.625 -4.174 -3.791 1.00 0.00 C ATOM 1341 OD1 ASP B 195 -14.741 -5.048 -3.676 1.00 0.00 O ATOM 1342 OD2 ASP B 195 -16.557 -4.247 -4.620 1.00 0.00 O ATOM 0 H ASP B 195 -14.462 -4.766 -1.601 1.00 0.00 H new ATOM 0 HA ASP B 195 -15.817 -2.420 -0.811 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -16.233 -2.192 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -14.558 -2.552 -2.890 1.00 0.00 H new ATOM 1347 N THR B 196 -18.033 -3.571 -0.213 1.00 0.00 N ATOM 1348 CA THR B 196 -19.438 -3.936 -0.047 1.00 0.00 C ATOM 1349 C THR B 196 -20.337 -2.763 0.359 1.00 0.00 C ATOM 1350 O THR B 196 -21.533 -2.969 0.559 1.00 0.00 O ATOM 1351 CB THR B 196 -19.574 -5.071 0.969 1.00 0.00 C ATOM 1352 OG1 THR B 196 -18.525 -5.023 1.921 1.00 0.00 O ATOM 1353 CG2 THR B 196 -19.557 -6.446 0.338 1.00 0.00 C ATOM 0 H THR B 196 -17.583 -3.216 0.630 1.00 0.00 H new ATOM 0 HA THR B 196 -19.782 -4.264 -1.028 1.00 0.00 H new ATOM 0 HB THR B 196 -20.544 -4.918 1.442 1.00 0.00 H new ATOM 0 HG1 THR B 196 -18.631 -5.756 2.562 1.00 0.00 H new ATOM 0 HG21 THR B 196 -19.657 -7.204 1.115 1.00 0.00 H new ATOM 0 HG22 THR B 196 -20.386 -6.534 -0.364 1.00 0.00 H new ATOM 0 HG23 THR B 196 -18.616 -6.592 -0.192 1.00 0.00 H new ATOM 1361 N PRO B 197 -19.839 -1.506 0.426 1.00 0.00 N ATOM 1362 CA PRO B 197 -20.710 -0.374 0.738 1.00 0.00 C ATOM 1363 C PRO B 197 -21.575 -0.060 -0.481 1.00 0.00 C ATOM 1364 O PRO B 197 -22.072 1.053 -0.655 1.00 0.00 O ATOM 1365 CB PRO B 197 -19.731 0.761 1.022 1.00 0.00 C ATOM 1366 CG PRO B 197 -18.534 0.433 0.201 1.00 0.00 C ATOM 1367 CD PRO B 197 -18.456 -1.071 0.145 1.00 0.00 C ATOM 0 HA PRO B 197 -21.389 -0.551 1.572 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -20.151 1.727 0.743 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -19.483 0.816 2.082 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -18.622 0.855 -0.800 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -17.631 0.852 0.645 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -18.118 -1.418 -0.831 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -17.756 -1.463 0.882 1.00 0.00 H new ATOM 1375 N TYR B 198 -21.710 -1.079 -1.328 1.00 0.00 N ATOM 1376 CA TYR B 198 -22.458 -1.015 -2.562 1.00 0.00 C ATOM 1377 C TYR B 198 -23.957 -1.157 -2.312 1.00 0.00 C ATOM 1378 O TYR B 198 -24.623 -0.120 -2.106 1.00 0.00 O ATOM 1379 CB TYR B 198 -21.956 -2.142 -3.470 1.00 0.00 C ATOM 1380 CG TYR B 198 -22.071 -1.837 -4.947 1.00 0.00 C ATOM 1381 CD1 TYR B 198 -23.193 -1.198 -5.460 1.00 0.00 C ATOM 1382 CD2 TYR B 198 -21.055 -2.186 -5.829 1.00 0.00 C ATOM 1383 CE1 TYR B 198 -23.299 -0.915 -6.808 1.00 0.00 C ATOM 1384 CE2 TYR B 198 -21.155 -1.905 -7.179 1.00 0.00 C ATOM 1385 CZ TYR B 198 -22.279 -1.270 -7.664 1.00 0.00 C ATOM 1386 OH TYR B 198 -22.381 -0.989 -9.007 1.00 0.00 O ATOM 0 H TYR B 198 -21.287 -1.992 -1.162 1.00 0.00 H new ATOM 0 HA TYR B 198 -22.306 -0.045 -3.035 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -20.913 -2.349 -3.232 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -22.519 -3.049 -3.252 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -23.996 -0.918 -4.794 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -20.173 -2.685 -5.454 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -24.178 -0.417 -7.190 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -20.356 -2.182 -7.851 1.00 0.00 H new ATOM 0 HH TYR B 198 -21.576 -1.304 -9.469 1.00 0.00 H new TER 1396 TYR B 198